Supporting Information: Ab-Initio Investigation of

the Role of the Atomic Radius in the Structural

Formation of the PtnTM55−n (TM = Y, Zr, Nb, Mo,

and Tc) Nanoclusters

Krys E. A. Batista,† Juarez L. F. Da Silva,∗,‡ and Maurı́cio J. Piotrowski∗,†

†Department of Physics, Federal University of Pelotas, PO Box 354, 96010 − 900, Pelotas, RS,

Brazil
‡São Carlos Institute of Chemistry, University of São Paulo, PO Box 780, 13560 − 970, São

Carlos, SP, Brazil

E-mail: juarez dasilva@iqsc.usp.br; mauriciomjp@gmail.com

Phone: +55 16 3373 6641; +55 53 3275 7542. Fax: +55 16 3373 9952

1
A Dimer Properties

The Table S1 summarizes the homo- and hetero-dimer properties for TM2 , Pt2 , and PtTM (TM

= Y, Zr, Nb, Mo, and Tc) systems. We have calculated the binding energies (per atom), Eb , the
average weighted bond lengths, dav , and the total magnetic moments, mT .

Table S1: Homo- and hetero-dimer properties: binding energy per atom, Eb , average
weighted bond lengths, dav , and total magnetic moment, mT .

Dimer Eb (eV) dav (Å) mT (µB )

Y2 −0.83 2.91 4.00
Zr2 −2.00 2.23 2.00
Nb2 −2.42 2.07 2.00
Mo2 −1.99 1.92 0.00
Tc2 −2.34 1.94 2.00
Pt2 −1.86 2.32 2.00
PtY −2.94 2.30 1.00
PtZr −3.04 2.25 2.00
PtNb −2.61 2.22 4.00
PtMo −1.79 2.25 3.00
PtTc −2.28 2.70 5.00

2
B Excess Energy and Chemical Order Parameter

1.0
1.0 PtnY55-n
0.5
0.0 0.5
-0.5 0.0
-1.0
0.0 1.0 PtnZr55-n

Chemical order parameter

Excess energy (eV/atom)

-0.5 0.5

-1.0 0.0

0.0 1.0 PtnNb55-n

-0.2 0.5
-0.4
0.0
-0.6
0.2 1.0 PtnMo55-n
0.0 0.5
-0.2
0.0
-0.4
0.4 1.0 PtnTc55-n
0.2
0.0 0.5
-0.2 0.0
-0.4
0 10 20 30 40 50 0 10 20 30 40 50
n n
Figure S1: Excess energy and chemical order parameter as a function of the Pt composition for
the Ptn TM55 − n nanoclusters, where TM = Y, Zr, Nb, Mo, and Tc. The solid lines in color connect
the respective values for the putative global minimum configurations, while the open symbols are
the values obtained for the high energy configurations. The continuous black lines were obtained
using a quadratic fitting from the lowest energy curves.

3
C Average Bond Length and Effective Coordination Number

We have employed the concepts of effective coordination number (ECN) and average bond lengths,

dav , to analyze the Pt-alloy atomic structures. The ECN concept takes into account that a particular
atom i is surrounded by atoms at different distances, with a different weight for each atom; while

the standard coordination number (CN) attributes an unique weight for all bonds, independently of
their bond lengths. The usual CN procedure considers a cutoff bond length for a particular atom i

and counting the number of atoms surrounding atom i, i.e., composing the first coordination sphere.
Consequently, all atoms with bond lengths smaller than the cutoff value contribute with the same
weight, i.e. unit, for CN. Thus, the results obtained for the CN depend on the cutoff bond length. In

contrast, for the ECN concept, a different weight is attributed for each bond length to neighboring
atoms, using a weight function. Consequently, bond lengths smaller (larger) than dav contribute

with a weight larger (smaller) than the unit. Thus, a cutoff bond length is not required in the ECN
concept.
The CN gives only integer values, i.e., this concept can be applied easily for symmetric struc-

tures, where a cutoff bond length parameter can be defined from the first nearest neighbors dis-
tances. However, for nanocluster studies, where we have low-symmetry and distorted structures,

the atom i is surrounded by atoms at different distances, i.e., long and short bond lengths, conse-
quently, the ECN concept provides a more accurate approach to identify possible structural trends

in nanoclusters. For particular cases, ECN and CN concepts have the same values, for example,
for the ideal icosahedron cluster with 13 atoms the ECN and CN values are equal to 6.46.
For the weighting function from the ECN concept, we have considered an exponential averag-

ing function to obtain ECNi and dav

i
for all atoms in the nanoclusters. The ECNi is obtained by the
following set of equations,
X  di j
6 
ECNi = exp 1 − i , (1)
j
dav

4
where di j is the distance between atom i and j, while dav
i
is defined as

 
di j
6
1
P
d
j ij exp − davi
i
dav =   , (2)
di j
6
j exp 1 − di
P
av

in which dav
i
is obtained self-consistently, i.e., |dav
i
(new) − dav
i
(old) < 0.00010|. The smallest bond

length between the atom i and all j atoms (dmin

i
) is used as the initial value for dav
i
. The final
value of dav
i
is obtained within 3 − 10 iterations, which is then used to obtain ECNi , which is
obtained by the sum of all weights and it is not necessarily an integer value. The power 6 and

exponential form in dav

i
are used in order to obtain ECNs equal to the standard CN for some
particular cases, e.g., undistorted high-symmetric icosahedron clusters, as well as, for crystalline

systems with simple lattices such as cubic and face-centered cubic. The average ECN and dav for
a particular configuration are obtained by

N
1X
ECN = ECNi , (3)
N i=1

and
N
1X i
dav = d , (4)
N i=1 av

where N is the total number of atoms in the nanocluster. In addition, now, it is possible, to calculate
the number of atoms exposed to the vacuum (surface atoms) using a hard sphere model with atomic
radius of dav while the atoms not exposed directly to the vacuum are identified as core atoms,

composing a core region.

5
 3.6 12.0
PtnY55-n PtnY55-n
3.2 9.0

6.0
2.8

Effective coordination number (ECN)

PtnZr55-n 10.0 PtnZr55-n
3.0
8.0
Average bond length (Å)

2.8
6.0
2.6
10.0
2.8 PtnNb55-n PtnNb55-n
8.0
2.7
6.0
2.6
PtnMo55-n 12.0 PtTM PtnMo55-n
2.8 Pt
TM
9.0
2.7
6.0

2.8 PtnTc55-n 12.0 PtnTc55-n

2.7 9.0

2.6 6.0

0 10 20 30 40 50 0 10 20 30 40 50
n n
Figure S2: Average weighted bond length and effective coordination number as function of the Pt
composition for total (PtTM), Pt, and TM atoms, for the putative global minimum configurations.

6
 3.6
8.0
3.2
6.0
2.8 PtnY55-n 4.0

Effective coordination number (ECN)

3.0 8.0
Average bond length (Å)

2.8 7.0
PtnZr55-n 6.0
2.6
2.8 8.0
7.0
2.7 PtnNb55-n
6.0
2.8
8.0
2.7
7.0
2.6 PtnMo55-n
6.0

2.7 8.0
2.6 7.0
PtnTc55-n 6.0
2.5
0 10 20 30 40 50 0 10 20 30 40 50
n n
Figure S3: Average weighted bond length and effective coordination number in relation to the Pt
composition for Ptn TM55-n nanoclusters. The solid lines in color connect the values for the pGMCs
and open symbols are values for high energy configurations. The continuous black lines were
obtained using a linear fitting from the lowest energy curves.

7
D Bader Charge Analysis

16 PtnY55-n
8
cationic
0
anionic
-8 core
shell
-16
6 PtnZr55-n
3
cationic
0
anionic
-3
Effective Bader Charge (e)

-6
8 PtnNb55-n
4
cationic
0
anionic
-4
-8
8 PtnMo55-n
4 cationic
0
anionic
-4
-8
6 PtnTc55-n
3
cationic
0
anionic
-3
-6
0 10 20 30 40 50
n
Figure S4: Effective Bader charges in the core and surface regions as function of the Pt composition
for the Ptn TM55 − n putative global minimum configurations. The effective Bader charge is obtained
by the sum of the effective Bader charge on each atom located in the respective region.

8
E Total Magnetic Moment

30 PtnY55-n

20

10

0
6 PtnZr55-n

2
Magnetic moment (µB/atom)

0
6
PtnNb55-n
4

0
9
PtnMo55-n
6

15 PtnTc55-n

10

5
0
0 10 20 30 40 50
n
Figure S5: Total magnetic moment as function of the Pt composition for the putative global mini-
mum configurations.

9
F Atomic Structures

Figure S6: Atomic structure configurations for the Y55 nanoclusters, which includes the DFT-PBE
putative global minimum configurations, below each structure are shown the relative total energies,
∆Etot .

Figure S7: Atomic structure configurations for the Pt6 Y49 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

10
Figure S8: Atomic structure configurations for the Pt13 Y42 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S9: Atomic structure configurations for the Pt20 Y35 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

11
Figure S10: Atomic structure configurations for the Pt28 Y27 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S11: Atomic structure configurations for the Pt35 Y20 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

12
Figure S12: Atomic structure configurations for the Pt42 Y13 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S13: Atomic structure configurations for the Pt49 Y6 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

13
Figure S14: Atomic structure configurations for the Zr55 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S15: Atomic structure configurations for the Pt6 Zr49 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

14
Figure S16: Atomic structure configurations for the Pt13 Zr42 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S17: Atomic structure configurations for the Pt20 Zr35 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

15
Figure S18: Atomic structure configurations for the Pt28 Zr27 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S19: Atomic structure configurations for the Pt35 Zr20 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

16
Figure S20: Atomic structure configurations for the Pt42 Zr13 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S21: Atomic structure configurations for the Pt49 Zr6 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

17
Figure S22: Atomic structure configurations for the Nb55 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S23: Atomic structure configurations for the Pt6 Nb49 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

18
Figure S24: Atomic structure configurations for the Pt13 Nb42 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S25: Atomic structure configurations for the Pt20 Nb35 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

19
Figure S26: Atomic structure configurations for the Pt28 Nb27 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S27: Atomic structure configurations for the Pt35 Nb20 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

20
Figure S28: Atomic structure configurations for the Pt42 Nb13 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S29: Atomic structure configurations for the Pt49 Nb6 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

21
 Mo 55

∆Ε tot = −13.32 eV −11.86 eV −10.77 eV −10.52 eV −8.95 eV

∆Ε tot = −8.75 eV −8.68 eV −8.19 eV − 4.68 eV 0.00 eV

Figure S30: Atomic structure configurations for the Mo55 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S31: Atomic structure configurations for the Pt6 Mo49 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

22
Figure S32: Atomic structure configurations for the Pt13 Mo42 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S33: Atomic structure configurations for the Pt20 Mo35 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

23
Figure S34: Atomic structure configurations for the Pt28 Mo27 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S35: Atomic structure configurations for the Pt35 Mo20 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

24
Figure S36: Atomic structure configurations for the Pt42 Mo13 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S37: Atomic structure configurations for the Pt49 Mo6 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

25
Figure S38: Atomic structure configurations for the Tc55 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

Figure S39: Atomic structure configurations for the Pt6 Tc49 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

26
Figure S40: Atomic structure configurations for the Pt13 Tc42 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S41: Atomic structure configurations for the Pt20 Tc35 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

27
Figure S42: Atomic structure configurations for the Pt28 Tc27 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S43: Atomic structure configurations for the Pt35 Tc20 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

28
Figure S44: Atomic structure configurations for the Pt42 Tc13 nanoclusters, which includes the
DFT-PBE putative global minimum configurations, below each structure are shown the relative
total energies, ∆Etot .

Figure S45: Atomic structure configurations for the Pt49 Tc6 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

29
Figure S46: Atomic structure configurations for the Pt55 nanoclusters, which includes the DFT-
PBE putative global minimum configurations, below each structure are shown the relative total
energies, ∆Etot .

G Atomic Positions

Bellow, we provided the atomic positions (coordinates) for some configurations, including the

putative global miminum DFT-PBE configurations for the Ptn TM55-n nanoclusters, as showed in
previous Figures of the Suporting Information.

Y55 configuration: ∆E tot = 0.00 eV

Y -0.0000000000000036 0.0000000000000000 0.0000000000000000
Y -0.0000000000000036 1.8014320232681769 2.9054184889465660

Y -0.0000000000000036 1.8014320232681769 -2.9054184889465660

Y -0.0000000000000036 -1.8014320232679779 2.9054184889465660

Y -0.0000000000000036 -1.8014320232679779 -2.9054184889465660

Y 1.8014320232681733 2.9054184889465660 0.0000000000000000

Y -1.8014320232679815 2.9054184889465660 0.0000000000000000

Y 1.8014320232681733 -2.9054184889465660 0.0000000000000000
Y -1.8014320232679815 -2.9054184889465660 0.0000000000000000

Y 2.9054184889465624 0.0000000000000000 1.8014320232681769

30
Y 2.9054184889465624 0.0000000000000000 -1.8014320232679779

Y -2.9054184889465695 0.0000000000000000 1.8014320232681769

Y -2.9054184889465695 0.0000000000000000 -1.8014320232679779

Y -5.6498976472345852 0.0000000000000000 -3.4921272711069093

Y -0.0000000000000036 3.4921272711069093 5.6498976472343827
Y -0.0000000000000036 3.4921272711069093 -5.6498976472345817

Y -0.0000000000000036 -3.4921272711069093 5.6498976472343827

Y -0.0000000000000036 -3.4921272711069093 -5.6498976472345817

Y 3.4921272711069058 5.6498976472343827 0.0000000000000000

Y -3.4921272711069129 5.6498976472343827 0.0000000000000000

Y 3.4921272711069058 -5.6498976472345817 0.0000000000000000

Y -3.4921272711069129 -5.6498976472345817 0.0000000000000000
Y 5.6498976472343791 0.0000000000000000 3.4921272711069093

Y 5.6498976472343791 0.0000000000000000 -3.4921272711069093

Y -5.6498976472345852 0.0000000000000000 3.4921272711069093

Y -0.0000000000000036 5.8036599355630756 0.0000000000000000

Y -0.0000000000000036 -5.8036599355630756 0.0000000000000000

Y -5.8036599355630791 0.0000000000000000 0.0000000000000000

Y 5.8036599355630720 0.0000000000000000 0.0000000000000000
Y -0.0000000000000036 0.0000000000000000 -5.8036599355630756

Y -0.0000000000000036 0.0000000000000000 5.8036599355630756

Y 1.7984411614404472 -4.7002554429041652 2.9046592092137757

Y -1.7984411614404543 -4.7002554429041652 2.9046592092137757

Y 1.7984411614404472 -4.7002554429041652 -2.9046592092137757

Y -1.7984411614404543 -4.7002554429041652 -2.9046592092137757

Y 4.7002554429041616 -2.9046592092137757 -1.7984411614404507
Y 4.7002554429041616 -2.9046592092137757 1.7984411614404507

31
Y -4.7002554429041687 -2.9046592092137757 -1.7984411614404507

Y -4.7002554429041687 -2.9046592092137757 1.7984411614404507

Y 1.7984411614404472 4.7002554429041652 -2.9046592092137757

Y 1.7984411614404472 4.7002554429041652 2.9046592092137757

Y -1.7984411614404543 4.7002554429041652 -2.9046592092137757
Y -1.7984411614404543 4.7002554429041652 2.9046592092137757

Y -2.9046592092137793 1.7984411614404507 -4.7002554429041652

Y 2.9046592092137722 1.7984411614404507 -4.7002554429041652

Y -2.9046592092137793 -1.7984411614404507 -4.7002554429041652

Y 2.9046592092137722 -1.7984411614404507 -4.7002554429041652

Y -4.7002554429041687 2.9046592092137757 1.7984411614404507

Y -4.7002554429041687 2.9046592092137757 -1.7984411614404507
Y -2.9046592092137793 -1.7984411614404507 4.7002554429041652

Y 2.9046592092137722 -1.7984411614404507 4.7002554429041652

Y 2.9046592092137722 1.7984411614404507 4.7002554429041652

Y -2.9046592092137793 1.7984411614404507 4.7002554429041652

Y 4.7002554429041616 2.9046592092137757 -1.7984411614404507

Y 4.7002554429041616 2.9046592092137757 1.7984411614404507

Y55 configuration: ∆E tot = 0.58 eV

Y -0.0112855386179103 0.0010059410640704 -0.0062648522277158

Y -0.0116354360674347 1.8132751435808867 2.8909951566448466

Y 0.0052830286215269 1.8109297940389641 -2.9038503521317782

Y -0.0127361574879536 -1.8053153254928418 2.8904938141637349

Y 0.0097245115544133 -1.8164098356803091 -2.9029699561338838

Y 1.8028311605501450 2.9117087690947603 -0.0125202351836169
Y -1.8051663921738719 2.9266235839953847 0.0189041459174089

32
Y 1.8049398063334667 -2.9126258147995596 -0.0137648008807005

Y -1.8058724338076964 -2.9255867552292063 0.0148360711368696

Y 2.9082110250059880 0.0024430455049096 1.7654628586000065

Y 2.9193735457081527 -0.0010058774324762 -1.8054110340632334

Y -2.9020568612207143 0.0017072330743204 1.8107326172900784
Y -2.8950342860567542 0.0003196124849314 -1.8119195672693120

Y -5.6771174968893678 -0.0022440748669776 -3.5177659580281428

Y 0.0013980069468058 3.5430830395768300 5.6552850444519382

Y 0.0211984463197314 3.5306364844888822 -5.6454392409661409

Y 0.0030789007755008 -3.5372109835099472 5.6488297129173954

Y 0.0227175673049871 -3.5387757260173398 -5.6433511794622468

Y 3.5441736379599735 5.6687869403009774 0.0139435621197155
Y -3.5435682466720255 5.6693405615695998 -0.0015578815893935

Y 3.5456075031499541 -5.6679876371111941 0.0258337330851415

Y -3.5441721372899071 -5.6703957982444440 -0.0040827467361719

Y 5.6646220372256000 0.0023965991248556 3.4979741729397755

Y 5.6575415301278635 -0.0014935163780212 -3.5278229830267982

Y -5.6426218163778774 0.0017262375113365 3.5354674274101061

Y -0.0032097714111874 5.8153500545798220 0.0124700311839590
Y -0.0030499763172607 -5.8169601535337776 0.0120950798137667

Y -5.7831344835147949 0.0000684652506795 -0.0232445827360213

Y 5.8123431557940801 -0.0013872674242084 0.0017083279760488

Y -0.0194695059493775 -0.0043679902674914 -5.7974852669563059

Y -0.0051690410040450 0.0035978095850755 5.7871753579415408

Y 1.7951583928514214 -4.6913169228618727 2.8788827672953996

Y -1.8072049191213679 -4.7173969306795787 2.9046944126526544
Y 1.7937335126478562 -4.7072949296474444 -2.9013407241074187

33
Y -1.8089862832341392 -4.6992598280864613 -2.8930016147711797

Y 4.7033653417046519 -2.8978697602725347 -1.7838498904555333

Y 4.7014109520096508 -2.8950319516754224 1.8058248730017130

Y -4.6867525911364485 -2.8943751270865921 -1.7939920964675764

Y -4.6903925739674026 -2.9018978997318126 1.8106297476735786
Y 1.7885873285768401 4.6986064889158587 -2.9045767779678204

Y 1.7937142249896549 4.6986204696264355 2.8793168478994762

Y -1.8099332945223843 4.6960220908167347 -2.8899293560571522

Y -1.8103203460461685 4.7229404801260824 2.9134547118812275

Y -2.8953894633909592 1.7882965907258406 -4.7042657831928185

Y 2.8866953356189118 1.8002089407074191 -4.7023676843454751

Y -2.8916109848159479 -1.7930580369946192 -4.6993972852229735
Y 2.8881521491688869 -1.8064887641786367 -4.7005098401005476

Y -4.6905720645284976 2.9031730191870952 1.8141344720062786

Y -4.6883291603915698 2.8905707481940741 -1.7943410800468058

Y -2.8969919432600157 -1.8071894984101018 4.7085055280007229

Y 2.8810380138710645 -1.7857416709687186 4.6809271010973372

Y 2.8798843996892369 1.7911134151422115 4.6816504655730657

Y -2.8936257675045720 1.8109471674902196 4.7118059745323091
Y 4.7002983305599084 2.8954321140845227 -1.7889353340192820

Y 4.7003271277114944 2.8997572367387807 1.8019240889399342

Y55 configuration: ∆E tot = 2.72 eV

Y -5.6557763375722665 -2.1169497526851213 -3.0954467979576066

Y 6.1540933458820390 0.9826774900076813 -0.0935288423565517

Y 2.0765251950072283 -2.6992291437651890 2.1927987477989710
Y -2.3870467618725382 -6.2395542501803192 -0.7558416256128861

34
Y 3.0974883779078368 0.7881917991190015 1.4858483245516716

Y -1.7878046860510093 -2.4886518479878443 5.0646844021878650

Y 0.3992060878648580 -0.1278199353936564 -3.3828437108407439

Y -0.2634304492901709 3.0791526164351257 4.8151932095810182

Y 2.5718855980401258 -3.7160647014962809 -0.9904680647778523
Y -2.8607095569873344 -1.1628324566779664 -1.6110150726136965

Y -2.6696814134254581 -1.2562474052251922 -4.9096613952391408

Y -1.4218743175324491 -2.6466827524639402 1.5738133656850781

Y -5.7357902351701835 1.3952617039880089 2.6866186896308371

Y -5.7409131986353881 -0.3865769114519928 -0.1203420485840123

Y -4.5427909496319518 -1.9178170181866712 2.8824894264962992

Y -0.2074252364395921 4.7406451561801237 -3.1467954928085717
Y -3.6025131470178611 4.4002992918072312 -3.1187937390126272

Y 4.8117977892933332 2.3659765677929219 -3.1070997381856387

Y -2.0318244080320511 5.2045884174429116 -0.1568965901735559

Y 0.3208936810748693 -5.4667539724292045 0.7393512221310559

Y 1.8457635071598091 2.4858035735389823 -1.5576107947621534

Y 0.2599318095175001 -4.8314566618391606 4.0373858644557963

Y -2.7572265771428270 -5.2978878391812572 2.5955246442992035
Y -0.0754855029977382 2.8546164008816977 1.4166472137033637

Y 5.1953422034360024 -2.0739071022130133 0.7930669088166287

Y 3.5880872620640325 -0.6010573438022906 -1.8577037083790788

Y -3.1138250375297432 3.6771485964601940 2.8750238288595114

Y 0.0505730716928774 -0.0557381967207480 3.4409288937941476

Y 0.5534971318031285 -0.7224438732785341 -0.1800613175843981

Y 1.6805766321903644 -2.0699078702454088 5.5745742727644725
Y -3.0971491993824536 0.7078146670475647 4.7482608587772077

35
Y -2.8365789064856521 0.6279690576989889 1.3770283150028746

Y 7.6747094963577283 -0.5192261982164545 2.5375881482290374

Y 4.4814927154786588 3.8731803513132892 0.0660555290675795

Y 3.1835259114293493 5.1569082277959151 -2.9691814585115281

Y 2.6746307412553207 1.2938281710952442 5.1281553352263707
Y 2.5899764875292135 4.0408720190872121 2.9977771710797363

Y 1.4905209822091301 5.5378472164712758 0.0020129270181037

Y -1.7066248632391119 2.1099995734420371 -4.9951011833367556

Y -0.6075129124157748 -3.3198897658267086 -1.9189862741397103

Y -0.3286421951574514 5.8470838597743029 2.8568155500679389

Y -0.7092661996235101 -3.8359836735991131 -5.4554121960020598

Y -4.4170343752326300 -3.7073935513072840 -0.1301111831515680
Y 4.6677485987606389 -1.0884123724793380 3.9459621914060001

Y 2.1131247099358390 -2.9662396871042471 -4.1747085016733809

Y 1.8094223713498003 2.6517311653543469 -5.0187820787958337

Y -0.3398035371923598 0.1801874902410763 6.7310855358168595

Y 0.5115454645070603 -0.6656324364607702 -6.4712656623725007

Y -1.7528842500499486 2.1240580781511174 -1.6058683679828913

Y 5.6681673456900157 2.1050377044987147 3.1070336765356856
Y 3.5885683397812649 -0.0820861364760859 -5.1621245246962566

Y -4.8154125005277315 3.0369268021523919 -0.1755327307330745

Y -3.2342014943677171 -4.4059444425225873 -3.3836070235460873

Y 0.3131479659877030 -6.0069229071230943 -2.9442137616966235

Y -4.6730145742027673 1.2075042085619376 -3.1827203674566249

Y55 configuration: ∆E tot = 3.96 eV

Y -4.8633946355153075 -2.0816408524210654 3.2091701089252300

36
Y 3.8864926868341847 0.4635241960474143 -5.0936548464755997

Y 0.0132435635785626 -4.3312659493745098 -3.5329710688453204

Y -2.3749699516867722 -1.5831806527913468 -4.3936826008628262

Y 2.5989650475525963 0.3232827719476212 -2.0518395124536148

Y -1.0937989110316444 -4.8946549160723656 0.0471788872163277
Y -3.0259099472577446 -2.1429572998645874 0.3094175521262965

Y 2.7479904848067882 0.7775642235508240 1.6416207757838759

Y 1.2054154828562815 -4.4029042533009690 2.5000830038392596

Y 0.6964609330242908 -1.9396618274184494 5.0532534155447824

Y -5.3662920968992829 -1.7659336677499820 -2.2564496525326483

Y 1.2560581962911694 1.7937975787646288 -6.7294826548289937

Y -3.3277377415620890 3.3538646734822155 -3.7095891764216145
Y -2.4600026587730373 -0.7141492633390332 5.0678980099996007

Y -0.3944425869136676 1.5634198219317152 -3.7395598775088779

Y -3.0428804393114106 3.6222471346622687 -0.2314560184031169

Y -5.9648409741249324 1.7585678937325842 -1.7361013471300204

Y -0.1940025300728561 1.5612797335352013 -0.1327998864861897

Y 3.2240684434317650 -2.8929349659158863 -3.3735433759463156

Y 0.9225665698802210 -1.2395213390507802 -5.1042598864671920
Y -0.2756791862600316 1.6266333433604387 3.5608963173210793

Y 3.0958488750392057 -2.3312492123555213 0.3697578506319541

Y -0.1173925757846632 -1.9110642685739752 -1.5515344521807428

Y 6.0161273064079595 -1.0666083370006127 -2.9875371554041070

Y 3.7585474071263434 -2.2260339779088856 3.7088234487620593

Y -0.0994614206468505 -1.3338274230333962 1.8847731592862473

Y 5.6311268292301300 0.0230917630067520 -0.0183672846125731
Y 2.3952619453740169 3.4014634065717484 -3.9959158340441263

37
Y -0.6909139177399890 4.2491282826641648 -5.6654998987989131

Y -4.8980421306038586 0.5508842656985902 -4.6691105600895302

Y 2.5494432098445472 3.6026301075980189 -0.5157477922214451

Y -0.4053155827127544 4.5293971495909542 -2.1496887983403798

Y -5.2995168877358303 1.1788220021534350 4.1735872665327509
Y -3.1310711734323569 -4.1093821658143899 -2.3830491964364473

Y -0.1764296248427932 4.5440515742241896 1.5967292493672893

Y -2.7851598256707639 2.4630518022115151 6.1526093989148318

Y -2.0653010646086170 -3.7486294730238807 3.2691332065011078

Y 5.5001081436445531 -3.8689418310913624 -1.1108120365500742

Y -0.0238101971575517 0.9713787277742210 6.9236556975476287

Y -2.0768771760125286 1.2714625305757448 -6.4428838132937241
Y 6.4925823251639301 -2.5494594308592706 1.7708598959545672

Y 5.6890856160227550 0.5858925542988942 3.2746060183561863

Y -2.9635224405175009 0.5237678156550185 -1.7753785753997793

Y 5.3045872814883523 2.3173035692497645 -2.4459452526567613

Y 2.7092150410573090 0.8489217217967813 5.0429194452087156

Y -3.1231218142134765 0.7567320717114345 1.7835694281115355

Y -4.9657826617311382 -4.3738969987421736 0.5445576007847137
Y -5.8748143899713252 2.9275451751947212 1.4635772536555844

Y 2.1482484722865607 -5.1453943207334500 -0.8846446361957856

Y -6.1972511544142366 -0.4655765309444995 0.7945016207729889

Y -3.0999103359186719 3.8461761968267414 3.2420101944086124

Y 4.4001868330585303 -5.1099378848211821 1.8143792617549526

Y 5.4173586325741212 3.0725125298702292 1.0289452054973047

Y 0.0181392069235145 4.0994167065915921 5.3699449417962253
Y 2.7005174996261232 3.6209955179224789 3.0830469759851287

38
 Y55 configuration: ∆E tot = 4.68 eV
Y -0.0024143326152952 0.1278394586489995 3.2096774546693059

Y 1.7992819219851555 0.0178862686443413 -0.0079626483340309

Y -3.4184562327343002 -2.6719582507076520 5.0139096401590582
Y -5.1009341472389433 -2.6585413125119537 2.1531376504265101

Y -0.0192179654783384 2.9804458501736946 1.0527328695152089

Y 3.4105226882019295 -2.7425242554211309 5.0241168295780643

Y -1.6369031064956392 2.9774270833030876 4.0191066344007300

Y 3.6254476005974254 -2.8529887102694982 -0.8564250282239634

Y -1.7357808487985000 0.2140415120893788 6.1327626107508184

Y 1.7507036578133164 -2.7552036713645922 2.1517754304061771
Y 3.5646275130898815 3.0309452763420772 1.1008690406872059

Y 1.7090164406645503 0.1729667715634129 6.1405896285702344

Y -3.4399211335622457 -5.4660686019230624 1.3612222856006131

Y 5.1457961080976347 0.1262130544170805 0.0198256359933513

Y 0.0617855310594067 3.0332381806516473 -5.2052085542645958

Y 3.4384322414038415 -5.4682970997713252 1.3736957228768194

Y -3.6516182215921287 0.0865755213063775 -3.0894616182293291
Y 1.8150024712692048 0.1680997418697725 -6.0581671071300480

Y -1.7631630503062556 -2.7470190333916271 2.1402283686244790

Y -2.2988496801411173 -2.8885369064765278 -4.0002465732559305

Y -1.8059427204032854 0.2121715055497262 -6.0706351461163113

Y -3.5973683914736370 0.1754126738119872 3.1216357321952319

Y 0.0086687587032319 -0.1717495346310756 -3.3167245590365777

Y -3.3632522684116122 3.0457782443672379 -4.8915447184384835
Y -0.0032768062523232 -5.8408860353240364 1.3029729503678329

39
Y 5.0001625827319494 3.0572304853304146 -1.9658229084045029

Y -0.0190346749283137 -2.5439712503427963 -6.2490618783716236

Y 3.6041441473555302 0.1309028116688484 3.1527713309665142

Y -1.7487122912575455 2.9430754942041624 -2.0542237953498823

Y 3.4405094206682847 2.9333426405325618 -4.9011814043138919
Y 1.7160390234057665 2.8866811670657633 4.0539851519624097

Y -5.0959676116533732 2.9486942179871676 -2.0470384686690188

Y 1.5381756496292134 5.7377672673801108 2.0709388621812241

Y 5.0893226216232463 -2.6948568263805619 2.1447049566973373

Y 2.2963727624022141 -2.8895124558034055 -3.9974133808534109

Y -1.7721373274029890 5.7417236156316349 1.8512950336099649

Y -1.8115031142888842 0.0133591298462754 -0.0394002916842240
Y -0.0079149244796390 -5.1642760879830885 -4.2832547558713063

Y 0.0084204617225030 5.9845207136700473 -0.9778310847793996

Y -3.6100422595526975 3.0078671613218511 1.0050033279781410

Y 1.7630597585798107 2.9363295206661384 -1.9999040381612794

Y -3.4188297164688013 5.6889206443175659 -1.1764805867727155

Y 0.0039251418810782 -3.0217549417695757 -1.1994863229412811

Y 3.6494033381480726 0.0780435941025708 -3.0377817522702326
Y 3.3759560143903897 5.7442234877399585 -0.8744172084925417

Y 1.8110403178539620 -5.7948140886314903 -1.6303844271665238

Y 1.7150047279696583 -5.4686241747298059 4.2128006572652854

Y -1.5741058777046533 5.7165793500807176 -3.9543227053698402

Y -3.6448916204847173 -2.8664584322796305 -0.8864827648866260

Y -1.7287733174635687 -5.4578335614612037 4.2077952558778566

Y 1.8745772051961964 5.6599844003536965 -3.8708618399972696
Y -5.1326867435980450 0.0861787731940780 -0.0011721316101330

40
Y -0.0062797112778927 -2.7429716604151260 5.3432339420031472

Y 0.0079564320663259 3.0136054607385176 6.9169499874906837

Y -1.8153764424446610 -5.7692241869817593 -1.6348392918592829

Y55 configuration: ∆E tot = 4.95 eV

Y 0.0089938164107792 0.0425814290145983 6.2031325511552957

Y 0.1326696043753692 -4.4709879329581454 2.4837945241948987

Y 1.7975217238920784 -2.8790712658844679 4.8662115050192263

Y -1.6310081509396035 -2.7981410395641593 4.6255741874283380

Y 3.5109169581642981 -0.0004104065478465 4.8551814741901929

Y 5.1129935057176290 -2.8205618401129247 3.5917226270542457

Y 5.1577469903582447 2.8885966815638913 3.9004143423595039
Y 3.2547216524571532 -5.0825612444107229 1.6065458281407334

Y 5.9851222577943055 0.1201607468804848 1.9831894304292241

Y 1.7161670170383871 2.8299849394010774 4.6155141951849998

Y -3.3658934752362004 0.0043221519660062 4.9174493394604042

Y -5.1521909656791731 -2.8722644960529333 3.9775908763448449

Y 5.2883840678283391 -2.5051561516423888 0.0576252566372162

Y 2.6529445994548198 -1.7173950186533258 1.9105406854024309
Y -1.7699051106759107 2.9853287067336129 4.7519710687286505

Y 0.0110150700108171 -0.0062998457920056 3.1512296596166571

Y -3.0705791246629666 -5.0110398748293665 1.8015296882147709

Y -0.2352041501634030 -1.8797105858484837 0.1184553604165686

Y 3.1044176004566495 1.7169393181762427 1.6929177055333220

Y -5.1792940732759849 2.6517313823853161 3.6165641371108990

Y -0.1592660903811058 -5.5079396892182881 -0.7210367498396941
Y -3.1199054150319832 -1.7665201830980202 1.7401871224985435

41
Y 5.8597084742570935 3.3307270100105111 0.6755226193616899

Y 0.0102496690178722 4.3947034726313614 2.3309318073027185

Y 3.1783534586339819 5.0696996398909970 1.8181603149055761

Y 2.4974616267335854 -3.5601931399855147 -1.1274599232880043

Y -5.9451431057734077 -0.2033615745603807 1.8272409025640108
Y 5.4982029664194272 0.6565316558100367 -1.4813727512224553

Y -2.7210432526864103 1.5934845228969259 1.9889641970718994

Y 0.0807160429105380 1.8031553384105639 0.1150261105520940

Y -5.8620929901270848 -3.4048861878956078 0.7642174862647622

Y 2.4508730070321398 -0.1295688503282300 -1.2009589804772602

Y -3.1752184113496220 4.9249561374187873 1.7987321340181683

Y -3.1075964087338654 -3.3427384930647115 -1.2336965420900903
Y 2.9808948066759449 3.3871035705626955 -1.1391535773413892

Y -2.6435379460304631 0.1443547609320515 -1.1528590304543975

Y -0.0307143038759463 -3.1079685936107033 -2.9562297520042264

Y 1.6654133595720122 -5.4633349150697654 -3.9418297531615458

Y -5.2292270454121326 2.4693972302666776 0.0258745941320679

Y 0.2723148755995126 5.6895142339321669 -0.7676014206401618

Y -5.6790611400032684 -0.7680772374246470 -1.5581547488015417
Y -1.8368316644432614 -5.3410773608613553 -4.0020732853341698

Y 3.1038466595035388 -1.8810724764633449 -3.9734057855368405

Y -2.4198333770865990 3.6914233322542263 -1.1258933454469862

Y 0.1978732775894265 3.2242449310993901 -2.9312206719467824

Y 3.0687735745970457 1.7995464627288218 -4.1197435848159216

Y -0.1059440817284969 0.0601882419513817 -3.3468550895945235

Y -3.0338897141605923 -1.8153219209049123 -4.1565278489726722
Y -0.2548333493168098 -3.0375811703730804 -6.0952410167341338

42
Y 2.0201907658233011 5.4408282397120207 -3.9562378637446436

Y -2.9429530020624188 2.0250333331048278 -4.0285482223247548

Y -1.4906906176992507 5.5076385243523145 -4.0294146706469078

Y 1.3710512704798070 -0.1284562789792059 -6.1678193889445323

Y 0.0148616779278079 2.9679509687834038 -6.0141215117895976
Y -1.8425434101960185 0.0815708112643279 -6.5845562161406805

Y55 configuration: ∆E tot = 5.20 eV

Y 0.0000000000000000 0.0000000000000000 0.0000000000000018

Y 2.5180681371560922 2.5180681371560922 0.0000000000000018

Y 0.0000000000000000 2.5180681371560922 2.5180681371560940

Y 2.5180681371560922 0.0000000000000000 2.5180681371560940
Y 0.0000000000000000 2.5180681371560922 -2.5180681371560905

Y 2.5180681371560922 0.0000000000000000 -2.5180681371560905

Y 0.0000000000000000 -2.5180681371560922 2.5180681371560940

Y 2.5180681371560922 -2.5180681371560922 0.0000000000000018

Y 0.0000000000000000 -2.5180681371560922 -2.5180681371560905

Y -2.5180681371560922 0.0000000000000000 2.5180681371560940

Y -2.5180681371560922 2.5180681371560922 0.0000000000000018
Y -2.5180681371560922 0.0000000000000000 -2.5180681371560905

Y -2.5180681371560922 -2.5180681371560922 0.0000000000000018

Y 5.0459615809771208 0.0000000000000000 0.0000000000000018

Y 0.0000000000000000 5.0459615809771208 0.0000000000000018

Y 0.0000000000000000 0.0000000000000000 5.0459615809771226

Y 0.0000000000000000 0.0000000000000000 -5.0459615809771190

Y 0.0000000000000000 -5.0459615809771208 0.0000000000000018
Y -5.0459615809771208 0.0000000000000000 0.0000000000000018

43
Y 4.8757812666684686 2.5255530529161092 2.5255530529161110

Y 4.8757812666684686 2.5255530529161092 -2.5255530529161074

Y 4.8757812666684686 -2.5255530529161092 2.5255530529161110

Y 4.8757812666684686 -2.5255530529161092 -2.5255530529161074

Y 2.5255530529161092 4.8757812666684686 2.5255530529161110
Y 2.5255530529161092 4.8757812666684686 -2.5255530529161074

Y 2.5255530529161092 2.5255530529161092 4.8757812666684703

Y 2.5255530529161092 2.5255530529161092 -4.8757812666684668

Y 2.5255530529161092 -2.5255530529161092 4.8757812666684703

Y 2.5255530529161092 -4.8757812666684686 2.5255530529161110

Y 2.5255530529161092 -4.8757812666684686 -2.5255530529161074

Y 2.5255530529161092 -2.5255530529161092 -4.8757812666684668
Y -2.5255530529161092 4.8757812666684686 2.5255530529161110

Y -2.5255530529161092 4.8757812666684686 -2.5255530529161074

Y -2.5255530529161092 2.5255530529161092 4.8757812666684703

Y -4.8757812666684686 2.5255530529161092 2.5255530529161110

Y -4.8757812666684686 2.5255530529161092 -2.5255530529161074

Y -2.5255530529161092 2.5255530529161092 -4.8757812666684668

Y -2.5255530529161092 -2.5255530529161092 4.8757812666684703
Y -4.8757812666684686 -2.5255530529161092 2.5255530529161110

Y -2.5255530529161092 -4.8757812666684686 2.5255530529161110

Y -4.8757812666684686 -2.5255530529161092 -2.5255530529161074

Y -2.5255530529161092 -4.8757812666684686 -2.5255530529161074

Y -2.5255530529161092 -2.5255530529161092 -4.8757812666684668

Y 4.7848721474758804 4.7848721474758804 0.0000000000000018

Y 4.7848721474758804 0.0000000000000000 4.7848721474758822
Y 4.7848721474758804 0.0000000000000000 -4.7848721474758786

44
Y 4.7848721474758804 -4.7848721474758804 0.0000000000000018

Y 0.0000000000000000 4.7848721474758804 4.7848721474758822

Y 0.0000000000000000 4.7848721474758804 -4.7848721474758786

Y 0.0000000000000000 -4.7848721474758804 4.7848721474758822

Y 0.0000000000000000 -4.7848721474758804 -4.7848721474758786
Y -4.7848721474758804 4.7848721474758804 0.0000000000000018

Y -4.7848721474758804 0.0000000000000000 4.7848721474758822

Y -4.7848721474758804 0.0000000000000000 -4.7848721474758786

Y -4.7848721474758804 -4.7848721474758804 0.0000000000000018

Y55 configuration: ∆E tot = 5.71 eV

Y 4.6045319881830800 0.5007927804350327 -1.3048271504315121
Y 0.5863739200471372 4.6930598978471885 -3.0843203329843174

Y 3.6643475582280338 -1.8892222735596960 -3.6265630911065490

Y -2.7637367690765160 4.2517919200469869 -2.7101013751579952

Y -4.3433925403443165 1.5251001950390890 -0.8337003074182583

Y 1.0332066381362619 8.7169353589436120 1.2237492552360312

Y -0.6524947033020290 -3.1279073743444439 4.6424763632561028

Y 2.2759056504494239 1.6610671070781784 -3.5971594423515239
Y 5.8869556231936251 -2.7871110422077958 -0.9008979601281748

Y 1.0641200117913634 -0.7311113964118050 -5.5992057667230402

Y -2.7385952653189669 4.0977207864084342 0.8012865688188828

Y -5.0566797162227441 -1.4996393197703224 -2.5860401924094631

Y 2.9481253511655368 5.9301752520653999 1.7338927558574024

Y -4.3212344810970151 -2.0329958645868498 -5.8895633433969117

Y -2.1243963885974431 -0.0163461254741133 -7.2252554550637544
Y 0.5660062495927338 4.1889007408342884 0.2489935841119362

45
Y 4.8360311380619407 -4.6469228918790826 1.8921525304090743

Y 8.0260430442403781 -3.3902129509477241 1.5896750078763784

Y 1.8917850612937475 1.0727769763804034 0.8060935712141397

Y 2.6166383097285397 -4.0519585305340353 -0.8073172761072538

Y 6.7564391283519285 -0.2109726864380530 1.3296510348738639
Y 1.6901775854907974 3.3037047013614007 3.4321115324016045

Y -5.7794918626552594 -1.0693864278262399 0.7890788985485386

Y 6.0380625740927485 -2.2544527692038905 3.8961547248791621

Y -0.7810891022457334 2.3241707517134493 -5.1405702319589164

Y -2.6135765333031955 -0.1821100791813990 5.0638625350967867

Y -4.5000455961262453 1.5871014826954220 2.7105965052313454

Y -1.0785255424177187 6.8339229838020188 -0.7225778135210970
Y 0.2989395075779377 -2.1577200038251796 1.5294385895627229

Y -2.2668588690363602 -1.3791918668926879 -0.7767852926823107

Y 2.2013319078524169 6.9980569731929698 -1.3023840353888883

Y -3.2446435895412371 -1.9068918199187710 2.4963918403815217

Y -5.8800999471491053 -1.0903538340686207 4.3583677484559136

Y -3.8837657201339155 1.2612610548553889 -4.2435961930121628

Y -1.6794419477563061 3.0546115737437027 4.1594067784028770
Y 3.4417663573365509 3.8335263868598695 -1.2849073132573174

Y 0.6632885621672155 0.1065620228163144 4.1831909690602256

Y -2.3241069632202347 -4.9201815832742390 2.3085626940658006

Y 1.2229226358957614 -5.1423124324381853 2.2639500215067105

Y -2.7415345919415248 -3.9482995195055626 -3.4597982185055685

Y -1.6791957767419419 -0.9914363396816270 -4.0925702604243295

Y -1.2450583101800845 -3.0896382220391825 -6.6019625435358975
Y -0.7795614646958242 -4.6043454498030094 -0.7521606547841824

46
Y -0.9564651835212956 1.7480122306007928 -1.8139752336501616

Y 4.6346035771698197 2.7291947746292351 1.5179824896612395

Y -5.9021370707280809 -3.9731958178454274 2.6746043994554736

Y 4.0240081568523536 0.4790912562800536 3.7571461956315293

Y -3.9458064911636406 -3.5960831470267323 5.2689344552049544
Y 1.1354156686642121 -1.0877786226296777 -1.8272991984744600

Y -4.2927334373049604 -4.0507838823283731 -0.3428386390991740

Y 2.7249420147728678 -2.7356975392895393 4.1533727068761248

Y 0.7431721226270884 -3.7503813935467125 -3.8372975132413298

Y 3.8534682951540411 -1.6492744242652506 1.2646039083622362

Y -1.4118027383149183 1.0188993478672579 1.6389153495338800

Y -0.4421380359809888 6.0474790752477681 2.6290318208415879

Y55 configuration: ∆E tot = 6.61 eV

Y 1.3701088374682708 1.8662188816519443 1.1970503585183376

Y -4.1990492755522730 -3.5032585841525670 -0.0357069432557058

Y 1.2698421296934423 -3.6165721123682548 4.3594081920765415

Y -4.3593842407550749 1.6581561695801721 3.0281186917820211

Y 1.5410893672889241 0.0014516753177940 -1.8450959838342822
Y 1.3016689157142363 0.0054732618096978 4.3021126327249117

Y 1.3892733000373898 5.1982260524327781 1.1963840775559422

Y 1.5157375376884001 3.6117232843613696 -1.8367628083797012

Y 4.0675541829801549 5.1231086450157495 3.3649681254321084

Y 1.3810661680091041 -1.8597385879923873 1.2037848249325176

Y 1.5332366793145962 -3.6103409142747278 -1.8281783278786961

Y -1.6398385300311329 1.7340700565529819 5.0859356159984284
Y -4.3527207748289953 -1.6707193087614538 3.0333820104752238

47
Y 4.3359337914297829 1.6824918813398480 -2.6969134236053733

Y -4.3822309904963479 -0.0021324098467961 6.0203851390442349

Y 1.4180276896547426 -5.1941744664501304 1.2094642431464937

Y 4.3433720965546154 -1.6702372684025750 -2.6928109484244924

Y 4.2326369043111942 -1.7978065309240119 3.3897405956700641
Y -1.5949634616099750 -0.0010316751861943 2.1283605471443625

Y -4.3092155313559122 1.8121774898302832 -3.0923589192758669

Y 4.0917499201306970 -5.0973110950001352 3.3755362620286942

Y -1.5988335407016994 3.6144141539901309 2.1366879409015791

Y -4.3014315474759588 -1.8369371369225593 -3.0866838541812438

Y 1.2517060694390771 3.6267785856873243 4.3492334122488732

Y -1.5813463992282912 -3.6168906326388512 2.1506586094020310
Y -1.3877209754083424 -0.0059958969504610 -4.1060777791139067

Y 4.2175835326988338 1.8245850716365108 3.3851283677195081

Y 4.2832467990194640 0.0090274605306693 0.2706430055292746

Y 4.3058462133350819 0.0021385828910976 -5.7236450099522376

Y -4.0381768572432968 -0.0175859647546606 -6.1577072544399476

Y 4.1503285376312551 3.5172893154790170 0.3200772749919576

Y -1.3596355837789975 3.5948138290334075 -4.0174670774754055
Y -4.0169288213935062 3.3945166620466072 -5.9283323907110539

Y 4.1677122176467645 -3.4992533494920810 0.3281579686244651

Y -4.1399184393215940 5.1249984195420399 -3.0912769839289886

Y -3.9817206785789381 -3.4272076488460517 -5.9179932486532039

Y -1.4612292846636414 1.8312046629860994 -0.9285969445523019

Y -1.3406581000831999 -3.6045954837466159 -3.9980022663837893

Y -1.2770336589922451 1.6633674663660400 -7.0056704909279119
Y -1.4691262476834552 5.1773222831541457 -0.8808652765141716

48
Y -4.1179274401820614 -5.1480578884648214 -3.0771651535060496

Y -1.2651106363920643 -1.6848288061501844 -7.0014434985130807

Y -1.4509098719621463 -1.8356604052337371 -0.9194199109929091

Y 1.6451002068299498 1.7886098973939255 -4.9377346125082511

Y 1.6127380455287117 -0.0033513493191819 -7.6709800104649197
Y -1.4419129168538642 -5.1836315358600000 -0.8624598225926388

Y 1.6548078286222054 -1.7918348311030758 -4.9340673170339979

Y 3.9299692899195069 0.0170588326842065 6.4165872517502311

Y -4.3832118640916953 -0.0078836316095678 0.0209123578199186

Y -1.6308874991278994 -1.7290764594619592 5.0925152695207050

Y 3.9335137642641502 3.4414998632505327 6.2566841032473715

Y -4.2185182983291210 3.4866743598691468 -0.0460550223198464
Y 1.1951599978496823 1.6510368944316287 7.2146985987491075

Y 3.9534817535104008 -3.4083311866793711 6.2630330938394980

Y 1.2071496895509188 -1.6339885782724615 7.2198227085455446

Y55 configuration: ∆E tot = 7.38 eV

Y 5.6769018579504014 -3.6725724965014503 -4.0893669115069944

Y 5.7014948572840360 -0.4576658197044541 -3.1050441808233700
Y 5.9476736043880969 3.0017205305904664 -2.5296528306431103

Y -5.3124148965486135 -3.9211504423480630 -2.6146210507187213

Y -5.2615492369837771 -0.6670987418666545 -2.2888740454452350

Y -5.5145206154367603 2.8126947733702732 -2.7944234745621213

Y -2.0269369988457360 -5.1199712156803532 -2.0155333829420936

Y -2.5280641391674585 -2.2128631964175778 -3.6217012276947234

Y -2.6224825115229926 1.1856560424320168 -3.0968814662934925
Y -2.7361404426004619 4.5417863532569829 -2.2730307766056992

49
Y 0.4650005147710701 -3.8347487210437539 -3.7722876162070893

Y 0.5731136629124975 -6.9503479409443196 -2.5800867742748306

Y 0.2055492480361387 3.1373949655112465 -2.9532129653845391

Y -0.0108922631919768 6.4926493373051972 -2.5440586238591916

Y 3.2911359952111461 -4.4340464498082621 -1.8936813171279478
Y 2.9232212764415699 -1.7727393116577232 -4.1254516181792713

Y 3.1085984603056964 1.5509728983044191 -3.5007194913861586

Y 3.0791603820757878 4.8636784758241820 -2.5964690596012279

Y 3.8077763149292103 -4.2056560974764672 1.4183854946274863

Y 6.1506894812944246 -2.7602410968733313 -0.7618494924801258

Y 6.3630300631932073 0.7129809511854539 -0.1846885665372948

Y -6.5833008461172469 -2.3397906833623008 0.2746106959750012
Y -6.5234164759874806 1.2761245015379838 -0.0255114839652517

Y -5.1699698102146652 4.7950998090220427 0.0402105103657089

Y -4.1713919142137517 -4.5620098198124115 0.3007573478686520

Y -2.7175544141006363 -1.5514442730664744 -0.2528110794512717

Y -3.2478506908092601 2.0578804004896316 0.2366517470643981

Y -2.1063581638747522 6.7942099811152818 0.0510942663939584

Y 0.3268240548182817 -3.2121564967742362 -0.3565317596915545
Y -1.3402126578767728 -7.2447087443911364 0.5093127033574927

Y -0.1059835538440392 4.1047144019633262 0.3242714502822892

Y 2.0948081483951029 6.5528856053476670 0.0237082892895000

Y 1.6420863750406589 -6.2101661626213946 0.2362523829505214

Y 3.1734438348108043 -1.0486536855650552 -0.5966672837440470

Y 3.1160639811043538 2.4188533957419889 -0.2414743797994490

Y 5.1834486942779527 4.8634028560821267 0.0950343565687479
Y 5.0490399521580436 -1.1270355467878126 2.2822823397011351

50
Y 5.6604522914136020 2.4127803878622718 2.4707734425925825

Y -4.3946313611251675 -3.4811420632782202 3.4141737121921327

Y -4.9078520750160557 -0.4089330214161286 2.3054526632382153

Y -5.7127724088855256 2.8889917419322924 2.7978679662305641

Y -1.4863473222507810 -4.4284954496734699 2.0743169329606364
Y -1.7719344786779931 -1.3592784034818806 3.0612527176580695

Y -2.6503696091772095 1.6329809644463662 3.6621487365759418

Y -2.7658927428260860 4.7353757638857257 2.5417513980482109

Y -0.7900315459498444 -3.4718167936271325 5.1782850353990124

Y 0.1343976346868576 3.2302876444603985 3.6101165156608790

Y 0.0398098651517493 6.6412151000980852 2.6670731277983730

Y 1.0824480992447256 -5.8304963145499205 3.3362750074942848
Y 1.4840917697952847 -2.3641769336904073 2.8546296297605291

Y 2.7228523945147920 1.1408306448730681 2.8383027809997454

Y 2.9152405482701802 4.5985780470150903 2.5646626014819294

Y 0.3109897081957680 0.0280261648541735 5.0729512724914745

Y -0.0299628435557295 0.5902236998468702 0.9908518423226038

Y 0.2594909481293595 -0.4125895159342559 -2.4188261084253533

Pt6 Y49 configuration: ∆E tot = 0.00 eV

Pt 0.3467551962590606 -0.1127010663667448 0.0319565659180459

Pt -1.2630718693103464 3.7325239893170523 0.0133970275269837

Pt -2.8866388835517549 -0.4892252857991511 2.6303867578389122

Pt -2.9258382468542790 -0.4399943935640337 -2.5340086790964431

Pt -4.6106855406162550 -0.9148473199015704 0.0947297451678817

Pt -3.2242790219053470 2.6780605967442259 -2.1402613829866830
Y -0.1251579861135096 1.7313912155183364 2.7268416838681970

51
Y -0.3520990562350520 1.8002160463839045 -2.6159299799702502

Y -0.1887071322630093 -1.6529290311739975 2.8316284552504998

Y -0.2321271543127565 -1.6102564615860868 -2.7511497978119266

Y 1.5581322260197901 2.8865513739988407 0.0193201153744252

Y 1.6134813668668513 -2.7729785523814088 0.0243646701843492
Y -2.0092841560382553 -2.4821320355748520 0.0408266991784139

Y 2.7303110560567880 0.0320968970340162 1.7493222251155309

Y 2.7097731973047834 0.0539823828240183 -1.7217983317794037

Y -5.3109321281792763 0.9323359691590684 -1.8099530568699738

Y -0.2496699310916880 3.4683530216011222 5.4506445833128501

Y -0.2743434837566391 3.4878276726914899 -5.4091013304962905

Y -0.0590286177527028 -3.4399654962126074 5.6736649538694790
Y -0.1010424391081778 -3.4256659069820459 -5.5959998274405107

Y 3.4431074634160166 5.6646455015176755 0.0353647404706048

Y -4.0337081889061714 4.0438958388821291 0.0837167242217812

Y 3.2027233976126013 -5.6535707327748330 0.0007130472762294

Y -3.6747036567758604 -5.2935676550253952 0.0384686934349761

Y 5.5429948323820533 0.0236070496550976 3.4893280042193968

Y 5.4309570696029690 0.1134916198383472 -3.5671072975701126
Y -5.2489109488600798 0.8821361484609836 2.0543089240573242

Y 0.1082601915615086 6.0931365374201834 0.1385383100809703

Y -0.2084003847398809 -5.6054163629299438 0.0361056044669664

Y 5.6862837032810987 0.0189694779956505 0.0061039527574165

Y -0.1180181675012654 0.0708730206920399 -5.7211901650671377

Y -0.0108603640810746 0.0478577938917738 5.8048644163864713

Y 1.6255389467416737 -4.6011813889207573 2.8903101649812317
Y -1.9228669003293835 -4.5697924895758053 2.9390576932805752

52
Y 1.6269274566321328 -4.5833419657456265 -2.8232976960716023

Y -1.9243300849066154 -4.5778292704958679 -2.8293228553887566

Y 4.5415784234157206 -2.8509434989651230 -1.7742631996199183

Y 4.5728474389568836 -2.8643790181080848 1.7833264670659141

Y -4.7561475281221375 -2.6274932674022682 -2.0398772693868921
Y -4.7525487084236993 -2.6855599930193663 2.1761937933480144

Y 1.6660286748614124 4.7415297554606237 -2.8233617700390496

Y 1.7680822099787408 4.6795005976814359 2.9343251020612420

Y -1.7981469160360311 4.9686923025602390 -2.5768321640581018

Y -1.8186220807145936 4.5810774596846331 2.6730763691404431

Y -3.1370310851436498 1.5431394344764491 -4.6296929956157351

Y 2.6750750804576580 1.8363370552456213 -4.5791401940489882
Y -2.9552134570073827 -1.8880883438226479 -4.8825032342435568

Y 2.7406318858532783 -1.7036973189440396 -4.6093428007611061

Y -2.2943698041982374 0.9872654719508681 0.1567478554101847

Y -2.9215933087708610 -1.8131592466916886 5.0254447867781264

Y 2.8187015053796030 -1.7244856245430573 4.6660658073060750

Y 2.8068557436050221 1.8080766122518406 4.6742684718463581

Y -2.9367842874359402 1.6630165381092996 4.4898423299870673
Y 4.5218408515039235 2.9285121966145815 -1.7669726065632858

Y 4.5882736012923377 2.8841021488454577 1.8178518937027803

Pt6 Y49 configuration: ∆E tot = 1.84 eV

Pt -0.4011187912288686 -4.6898571871803432 0.7827564551340587

Pt 4.4566830639121422 -1.6491824481700552 -0.6526080375141523

Pt -4.2758988911604074 -2.5372934147340120 0.7984589522519736
Pt -4.5213405327888108 2.1615443003912138 0.8860455897048312

53
Pt 4.7471609673154598 1.4729359416736563 -0.4388106476077470

Pt -0.3066973622640489 3.2011307250758216 -4.7964189141102311

Y 4.4583284568218913 3.4729543241927687 -2.1771089357082936

Y -0.0162208982780215 -0.2096375696212555 0.2947614776489750

Y 0.1077695925707881 1.8073689039607814 2.7611496294567868
Y -0.2723009455950917 1.7000416107044682 -2.5865780706707380

Y 0.7564500420719916 -1.5478784114774464 3.1568922980390637

Y 0.0402273221249646 -1.7571978292177268 -2.9827021836278238

Y 1.8470340574529216 3.0356368640343092 -0.0207066498427418

Y -1.8391335269564248 2.7810941023417937 0.1707780226029063

Y 1.7990771563105701 -2.9361156515471403 -0.0313087764289575

Y -1.8072575206648216 -2.7009713550129928 -0.5882940967128591
Y 3.2105995494957762 -0.0024972214453679 1.6735234610432144

Y 2.5549000374577560 0.2115439482664219 -1.8623293288175107

Y -2.9318432054275414 -0.1291608652929176 1.6596934313370582

Y -3.1008641063306914 0.0034766557054441 -1.8634401220256478

Y -5.8361189355356915 -0.0566736556693052 -3.6017763937064604

Y -0.3266235894263875 2.8482208395150539 5.6730850449409838

Y 0.0617950335394214 -3.2653423991327473 5.7166469624654122
Y 0.7020378149077792 -3.8556978679761360 -5.0446939193377842

Y -4.0045410792094378 4.9742075245423054 0.9069985223046479

Y 3.6735269073402144 -3.4432104377100718 -2.7158652818613227

Y -3.0742652730797770 -5.4405494541280843 0.0744665385639671

Y 5.2103155833137027 -0.1402183804881118 4.1978901029685796

Y 5.5158796989829071 -0.0410517900055340 -2.8290787488057125

Y -5.1204909173633597 -1.8721104658414773 3.2994602169696572
Y -0.3799706271417264 5.7810129913294404 0.0663527161111072

54
Y -5.9463485574725512 -0.2020180884616349 0.0340771405786146

Y 6.4815096162955737 -0.2588157995084744 0.7935932943364123

Y -0.1487822549171122 0.2995974608831488 -5.7532110186437189

Y 1.5850168412857430 -0.1953306507008309 6.1107481094136427

Y 1.4438880464696295 -4.9806483191392461 2.8075710651853778
Y -1.9848096577084962 -3.3613645096233653 2.7571215028089204

Y 0.5189777300640509 -5.4324758380190721 -1.7785237703434615

Y -2.2589733599942194 -4.5745481893252675 -3.3653038745443631

Y 4.7082327665519816 -3.1619420196411414 1.6710356386545924

Y -4.8782011303161221 -2.9486532351818711 -1.9827943338957199

Y 1.2632938769577156 4.8029444151415417 -2.9725836917876460

Y 1.8409504685870572 4.8541221040835794 2.8458889265790868
Y -2.0866010290779125 4.6141005491775582 -2.8111407062180866

Y -1.4152791092970862 4.8434432197475275 3.0654666346240642

Y -3.0311578508202244 1.8804317650993918 -4.6776729603566745

Y 2.4681845010165606 2.1783825894858286 -4.7298638439633729

Y -2.9620366507101998 -1.6535713672162495 -4.7709825028086081

Y 2.8564365869635759 -1.1551814234844755 -5.0055250057511769

Y -4.8830427508114020 2.8061441188575813 -1.8063500329943618
Y -1.8625909154785429 -0.4301340598344213 4.9246159199341788

Y 3.2532909427494863 -2.7696691944583427 4.6319125536007197

Y 2.9461471335604212 2.2853589024646168 4.5609980790823608

Y -3.6969389401961301 2.4482776631001157 3.6108676954236936

Y 4.8617346151310201 2.9350275794707499 1.9128158663202808

Pt6 Y49 configuration: ∆E tot = 2.65 eV

Pt 0.0000000000000012 3.5875900409722581 4.7170180031026190

55
Pt 0.0000000000000012 3.5875900409722581 -4.7170180031028179

Pt 0.0000000000000012 -3.5875900409722652 4.7170180031026190

Pt 0.0000000000000012 -3.5875900409722652 -4.7170180031028179

Pt 0.0000000000000012 -0.0000000000000003 -4.6115782390458948

Pt 0.0000000000000012 -0.0000000000000003 4.6115782390459019
Y 0.0000000000000012 -0.0000000000000003 0.0000000000000009

Y 0.0000000000000012 1.8952570063560377 2.6150767854634518

Y 0.0000000000000012 1.8952570063560377 -2.6150767854634562

Y 0.0000000000000012 -1.8952570063558329 2.6150767854634518

Y 0.0000000000000012 -1.8952570063558329 -2.6150767854634562

Y 1.7964257909625136 3.0236364971959291 0.0000000000000009

Y -1.7964257909623187 3.0236364971959291 0.0000000000000009
Y 1.7964257909625136 -3.0236364971959331 0.0000000000000009

Y -1.7964257909623187 -3.0236364971959331 0.0000000000000009

Y 2.8183725255769061 -0.0000000000000003 1.8523826797631950

Y 2.8183725255769061 -0.0000000000000003 -1.8523826797629912

Y -2.8183725255769034 -0.0000000000000003 1.8523826797631950

Y -2.8183725255769034 -0.0000000000000003 -1.8523826797629912

Y -5.3103095061187577 -0.0000000000000003 -3.7868204563243211
Y 3.5852091630558687 5.6603915549628079 0.0000000000000009

Y -3.5852091630558784 5.6603915549628079 0.0000000000000009

Y 3.5852091630558687 -5.6603915549630015 0.0000000000000009

Y -3.5852091630558784 -5.6603915549630015 0.0000000000000009

Y 5.3103095061185668 -0.0000000000000003 3.7868204563243228

Y 5.3103095061185668 -0.0000000000000003 -3.7868204563243211

Y -5.3103095061187577 -0.0000000000000003 3.7868204563243228
Y 0.0000000000000012 5.9358477100895213 0.0000000000000009

56
Y 0.0000000000000012 -5.9358477100895284 0.0000000000000009

Y -5.6315841318958322 -0.0000000000000003 0.0000000000000009

Y 5.6315841318958277 -0.0000000000000003 0.0000000000000009

Y 1.7554366838943738 -4.8668174498339472 2.9277686313977993

Y -1.7554366838943778 -4.8668174498339472 2.9277686313977993
Y 1.7554366838943738 -4.8668174498339472 -2.9277686313978037

Y -1.7554366838943778 -4.8668174498339472 -2.9277686313978037

Y 4.5547921479308577 -2.8765381352076176 -1.8857874112121262

Y 4.5547921479308577 -2.8765381352076176 1.8857874112121280

Y -4.5547921479308560 -2.8765381352076176 -1.8857874112121262

Y -4.5547921479308560 -2.8765381352076176 1.8857874112121280

Y 1.7554366838943738 4.8668174498339463 -2.9277686313978037
Y 1.7554366838943738 4.8668174498339463 2.9277686313977993

Y -1.7554366838943778 4.8668174498339463 -2.9277686313978037

Y -1.7554366838943778 4.8668174498339463 2.9277686313977993

Y -2.3841682877063515 1.7553422677618176 -4.8782874409460595

Y 2.3841682877063510 1.7553422677618176 -4.8782874409460595

Y -2.3841682877063515 -1.7553422677618149 -4.8782874409460595

Y 2.3841682877063510 -1.7553422677618149 -4.8782874409460595
Y -4.5547921479308560 2.8765381352076167 1.8857874112121280

Y -4.5547921479308560 2.8765381352076167 -1.8857874112121262

Y -2.3841682877063515 -1.7553422677618149 4.8782874409460542

Y 2.3841682877063510 -1.7553422677618149 4.8782874409460542

Y 2.3841682877063510 1.7553422677618176 4.8782874409460542

Y -2.3841682877063515 1.7553422677618176 4.8782874409460542

Y 4.5547921479308577 2.8765381352076167 -1.8857874112121262
Y 4.5547921479308577 2.8765381352076167 1.8857874112121280

57
 Pt6 Y49 configuration: ∆E tot = 3.18 eV
Pt 3.8469693826880649 3.0012450710221712 -0.9622672495412804

Pt 0.6491947519050241 3.3343334813961549 1.7830323077089276

Pt -3.7649092629699332 1.0680030226061432 4.3863153511702038
Pt 2.1411954132835156 -0.5633991887131004 -3.7384129018632350

Pt 0.2056668562598585 -1.6844041449025302 1.8074634769129174

Pt -2.3756228499642678 3.4428567798237224 1.1787388426651297

Y 2.8935838533736167 5.1528154899499539 -2.4987670287251156

Y -2.6024527225516731 -2.0349817101146530 -5.2422749572689682

Y 2.2788284393471505 -5.2315806296356788 -1.3871567285993787

Y -1.3960544191959752 -5.8170206613477342 -0.7308603533054511
Y -0.7286216098857583 -0.5381428600180304 -3.1051080165364358

Y -2.1213341626699176 2.4522223157267251 -2.3601338584397746

Y 1.0489391967044179 1.2860518502824623 -5.8395723718979884

Y -2.2622943506128408 1.3461791536894849 -5.4743324504226409

Y -5.9550408227284208 0.2630711740014270 2.8956411737188237

Y 1.4478570692890718 1.9973596509561697 -2.3008066943104017

Y 2.7306842349168159 1.2317244501187816 1.0758391970910259
Y 0.8014142727590161 -4.4405438614735866 1.4263124904063975

Y -4.0684062962450724 -0.3497242277038440 -2.7227318526992130

Y -2.9819119103976650 -3.1829261132131488 5.8252665546454381

Y -5.2076838034839428 -3.0222508195868376 3.4080866519515443

Y 4.4718885194348719 0.3618472673051775 -2.1814141310850941

Y 2.8137863053038394 4.8868544218461256 0.9353753419580290

Y 4.0630339158489184 -0.3253208039919949 -5.6348929567026280
Y -0.6438358503236827 0.9147359414810911 0.4799747488898216

58
Y -4.4626662297797264 3.5144739168000005 3.0809302907432468

Y -3.7269745047854403 -3.8270963531517856 -2.5693358948957350

Y -0.9624648411371126 5.5536782964771456 2.2991936628136678

Y 0.7170986077619417 -1.8957025977885906 -5.9613931255204298

Y 5.7787048486983901 -0.6113118670164500 0.9909106102261912
Y 6.0568101680581110 3.4510922140208549 -2.3515416004154908

Y 0.0402721204847638 4.1152319160189341 -4.4170178143626568

Y -2.5483057303353478 -1.0126463859083219 2.8847561746287660

Y 4.5358702521329155 0.6385788518250809 3.7918364491710026

Y 4.2585701805084071 -4.8978262654695568 1.4371273489290566

Y -5.1953221506054170 -1.8721563516554949 0.2098672571657327

Y -1.7424236536064441 -0.0854327451642987 6.0702564083994570
Y -1.8301848753467933 -2.5177409020885597 -0.2223032673988966

Y 3.0665421210737751 -3.2341367569208113 -3.9783162193204324

Y -4.1209766232169267 1.4298893979949239 0.3428738858894217

Y 5.5739131035658485 2.8556317716974302 1.3318570470657152

Y -4.4810913991959822 -4.9759151010659854 0.5298727653519876

Y 3.0349385905990105 -2.0066119043035680 2.1547227998239453

Y -2.2082851063141273 -4.5964835358777831 2.7711832670615255
Y 0.1728767907881612 -2.9486109644363370 4.4457229115008765

Y -0.1861167103582515 4.5531824942449033 -0.7651677664823057

Y -3.6101049801335749 5.0236330135924474 -0.5478667777346781

Y 1.0024061667131070 0.1784236061752726 3.8285962358693890

Y 3.6900208176842635 2.9055658659058743 -4.7403119227011370

Y -1.3320541026406749 2.4826460946613835 3.7149922129695128

Y -0.3403644277433173 -3.8874512591382842 -3.3185550059248241
Y 4.7588335753700068 -2.9375298377245316 -1.1201996412376709

59
Y 1.6430192461053217 -1.7680818591303278 -1.0214672176138424

Y 2.2733707890087409 3.3691318702008570 3.9663075136637254

Y -5.1407861934386627 -0.5454296722788717 6.1391548266142184

Pt6 Y49 configuration: ∆E tot = 3.61 eV

Pt 0.6729323191560047 -3.6250046008318066 0.6182395399490066

Pt 4.6351025882057453 -1.2603356482057078 -2.4480987474760258

Pt -3.5506636975675585 -2.7073947803310632 -3.0602972074395325

Pt 4.4042229024361967 2.3136896447184419 -1.7469322808727836

Pt 0.7302311989215650 -1.1117629391233446 -3.1061711886398324

Pt -3.0709830135681750 -3.5145253817963762 -0.4334028757351003

Y -2.7195598399077037 -2.9225437194770012 -5.5783520686178427
Y 2.3681646394220479 -5.2751466933853024 -0.7214329384202374

Y -2.0222118565330058 -0.3256462377042869 -3.2985980297168824

Y -3.7768011429241914 2.4640107462688934 -3.8856113282868856

Y -0.1247212912759838 2.0529237297953231 -4.9522040503552471

Y -2.7481863200648320 0.3492837867492664 -6.5512738551245544

Y -5.5885506656339405 0.2922916105014747 1.9536810968033491

Y 1.4665130193742884 -1.2976757600042768 2.4120154177849229
Y 0.3084343967619790 1.3615812575915172 -1.4264143834791436

Y 3.1153730952468250 1.1311557714062634 0.4689452899796935

Y 1.6095374652436432 -5.0539684357459604 2.8366319786038696

Y -5.1507974021386502 -0.6868180591819272 -4.2641738041896016

Y -2.9983300258138650 -3.7959119270032446 5.6403134009076386

Y -3.9051034028467368 -2.7632682892646785 2.2824632072706703

Y 6.4714354807082692 0.7950450878718262 -2.7351819464148930
Y 3.2710785893687100 4.5452621486793081 0.5659682501309622

60
Y -2.9918684920043139 1.8401532657485187 -0.3008388111761507

Y -5.6515909460712415 3.4848818099647692 1.4142752734888282

Y 0.9631720781414562 4.8680843489360273 3.4489162195973435

Y 0.2436674392597507 -1.1234504459515464 -5.8087514835453931

Y 5.7851905489773472 -0.9180739015106211 0.1923019659531950
Y 5.6408942476007198 4.5622198397093001 -2.1780331551601408

Y -1.2592438756036479 4.0690093664694578 -2.8016917742236620

Y 0.4259842859719499 2.0778474978994601 2.0439656843694429

Y -2.2639222899408313 0.3098498136598823 2.8832163412024707

Y 4.5279751370638008 -0.3690723353794874 3.3799399252992117

Y 4.2450646751767689 -3.4703392762418530 1.7733266922447186

Y -4.6801679016963389 -1.2617591470782679 -0.8807015709612063
Y -1.0526387398617931 -0.8477116227753877 5.9720417369991630

Y -4.4101345728908177 2.3153526178545198 4.3561435815061369

Y -1.2565117908870613 -1.5217940716567901 0.2571453530496932

Y 2.7787559803345845 -2.9524193517203519 -3.9398305566309739

Y -6.1077841166042042 1.8361900962632087 -1.5143965360151614

Y 6.0703043512630028 2.4575370265050238 0.6109593509287901

Y 2.2680181257016541 -2.6350972282671141 5.1694386922474056
Y -1.5118766624999562 -5.2355403398323803 0.9258843060652648

Y -0.8044578098678040 -3.0560747003087374 3.5251407178340939

Y 2.1899117471681362 3.9753324383213520 -2.5973259759967808

Y -0.0563267254680308 4.8388556547078014 0.0760365643861302

Y -3.9180937135495606 4.8005308432311340 -1.0340198964172804

Y 1.7997425892983658 0.8521155024428125 5.0933262733607663

Y -2.4521638751749295 4.0913829042264576 2.3690090281782168
Y 2.9454145224046671 0.6536592654569219 -3.6920215018585054

61
Y -1.1332694901785896 2.5723923553543080 5.1385320260404157

Y -0.6771092684052834 -3.5236637502543844 -2.3853819079212082

Y 5.3341393670527193 -3.7445859331476510 -1.6724036422256610

Y 2.3462539140813812 -1.9003072548373434 -0.8620909087315762

Y 3.7426684587150447 2.8931805066457383 3.2848641270869221
Y -4.4771142340775807 -0.9039271059621165 5.1829103843639448

Pt6 Y49 configuration: ∆E tot = 4.16 eV

Pt 0.8665860494262670 -0.8958445031562514 0.8448391646855909

Pt -3.2952233307304355 0.2814235940390695 -1.3410283463288069

Pt 3.4427470602058636 -2.0670147810286799 -2.6149098944268987

Pt 2.4535470063515170 3.0765347592477750 -1.1220102502504428
Pt 3.8036884465210163 -1.1361861830770563 1.4154863057722842

Pt 6.0776618469768211 0.3804683154694180 -1.1443131717328157

Y 1.0053618556851276 3.8220571282009050 4.2296222297362389

Y -0.1694307138630803 -1.6229206366578535 -6.2274829895974468

Y -2.0334643887696759 -2.5061098699824149 5.7155871588378320

Y 0.2387795134491230 -1.1615592570384143 3.5470537134353792

Y -0.4651460380418196 1.2436994576093359 -0.5677953893082951
Y -1.9996665009895198 -1.6235519297692236 0.8116599325351271

Y 0.5894498035020092 -2.0387563769465236 -1.6659610957543218

Y -3.0454117353870163 -2.9902724539873220 -5.5552903422206770

Y 2.7342805317679311 -4.6467779964838707 -1.8743771309116111

Y -0.4856729254879960 -4.9196730349289277 -0.4907423077184488

Y -1.4408049467550905 0.0111617653204823 -3.6113596875451393

Y -3.1614400487931698 2.6490041063170566 -4.1317611169341690
Y -0.0237392804134483 2.0011140266190206 -6.0269155430240717

62
Y -3.0200949810612543 0.2158118711030823 -6.5457158432110676

Y -6.2731841507028943 0.0405809803103929 2.9557966824121396

Y 2.1212510942187515 -3.3866824928601376 1.5475706278932220

Y -4.7469163939277887 -0.4487653360555515 -3.7341117300536997

Y -4.5157598806515979 -2.9405190360605835 3.2758077594138926
Y 3.7698108612632644 4.0603300796937978 1.3616034775429695

Y 5.2687720966948106 -0.1972007333193953 -3.6707678216226958

Y -3.9043721029210920 1.7059341484447057 1.1900038474943384

Y -2.8017009594729818 -2.9403239563738972 -2.2963657313007051

Y 3.1571896955530607 0.3664139693251454 -0.9632741820587717

Y 5.3819863589663219 3.0096063969297635 -1.5185259241631452

Y 0.1841482298072737 3.5433380097723521 -3.0026725118667672
Y -3.1561776540991411 -0.1778005388568016 3.7416247631520223

Y 4.3685647840787594 2.3093786611924698 4.4761469955570341

Y 5.3930366852423983 -2.2778319883098654 -0.5465391534373135

Y -5.2171691164084875 -1.4069437669581764 -0.1381349369950742

Y -1.5318244927790101 1.0787856064969932 6.1188226708614666

Y -4.2459013890176447 2.6168222741240501 4.5094995417791743

Y 2.9174363331983750 -3.1316552854098014 -5.0407454659532283
Y -5.5297036721744952 1.9951627888900674 -1.5472008559071841

Y 1.8677789761888415 0.0228524784426305 -4.1300432419277806

Y 5.6816918536182452 0.9303186700744506 1.5441874427640230

Y -3.6934938203423440 -4.5623282922590809 0.4351748272324515

Y 3.8958022287934813 -1.2215108525058966 4.1064336006735749

Y -1.2114821065371191 -4.2797841959421588 2.9871776819588494

Y 1.3825249885506403 -3.1970571390425220 5.5453348046524598
Y 2.9746999166804504 5.5681745625849031 -1.7308138708567797

63
Y 0.3940063442201961 4.3196224342059963 0.6626754121606148

Y -2.6212632390354877 3.8614108980909645 -1.0691820141180937

Y 1.8022111333100532 0.6672984673499041 5.7884681598397423

Y -2.4431158200493139 4.7115983470200193 2.4406880052349518

Y 3.2092779366388888 2.9752584512565163 -4.1043984415262225
Y -1.0879754336459053 1.8674233415692940 2.7761455668236001

Y -0.1211039958439416 -4.3355257286915441 -4.0043459818864600

Y 2.1873662750282219 1.3248901674125462 2.2156287299445903

Y -4.9284187880359562 -0.5438793914111637 6.1737458702445744

Pt6 Y49 configuration: ∆E tot = 4.93 eV

Pt -3.2549719508464663 3.9546496561487698 -2.6947890332485529
Pt 3.0026378123180275 3.8979881593532246 2.8958795485291691

Pt -3.8512547804194006 0.0078839172459252 4.7789864487620219

Pt 3.0746047414168438 -3.7958773426319761 2.9610180648761539

Pt -3.1583725330097070 -4.0144603809543922 -2.6016867906934631

Pt 0.9865875007499351 -0.0384033248094759 -6.0382602135654198

Y 1.5505266733527392 -0.0042352849881001 -2.0301004006515613

Y 4.3913423654684349 0.0379873765622581 0.2232233929524689
Y 1.3800987410542189 1.9173987538778650 1.2939146267026909

Y -4.3613444170415798 -3.6583512875455559 -0.1408188497549377

Y 0.8344319206421323 -3.5901172469089904 4.5225689190521550

Y -4.5505387139420019 1.7698053304380039 2.8434576366439015

Y 1.2231626191709990 0.0481606967782017 4.3144630025601032

Y 1.2932862499733939 5.3582138607020697 1.3164846084286370

Y 1.5631263584485848 3.6240549642893995 -1.7419018539516065
Y 1.4165127617445312 -1.8699358394631744 1.3328245606755902

64
Y 1.6286694915193627 -3.6203963019169665 -1.6784880489885905

Y -1.8192283167163954 1.7820646600202572 5.2483253252966984

Y -4.5144840363776382 -1.7962869525507230 2.8712386440855151

Y 4.3761727267456036 1.7199933531003060 -2.7124736507174654

Y 1.3878050063969416 -5.3137905545496906 1.4120224104694736
Y 4.4087044966160143 -1.6951991349967956 -2.6856706760435682

Y 4.4802728842336661 -1.5234926666037980 3.3305559051867593

Y -1.6932341219807265 0.0087115754766690 2.2224184091013055

Y -4.3879158081667349 1.5455519932073751 -3.1537599333363366

Y -1.7793213733945763 3.6761087173290781 2.0961904997998109

Y -4.3953724002767007 -1.6641865754197367 -3.1171873792477141

Y 0.7676051356926440 3.6821866358850031 4.4610465025580863
Y -1.7109501566960985 -3.6736273343345180 2.1672482271055693

Y -1.2658884622160180 -0.0725456185765835 -4.1181295028540230

Y 4.4517334481279756 1.6601830929800920 3.3015558219572791

Y 3.9016521360527907 -0.0160731507325113 -5.8746782573796379

Y -3.8941134471859633 -0.0810419567294315 -6.2047407643088572

Y 4.2241901571498923 3.6194808603306665 0.4007448931157109

Y -0.9902371196836265 3.5686409575496336 -4.0656506142814184
Y -3.8017230874885821 3.5049793283715438 -5.6649093778544968

Y 4.2907297182430613 -3.5395944023543739 0.4622771010875508

Y -3.7264960786908516 -3.6405160461949935 -5.5822528825675546

Y -1.5292180425508619 1.8573470700815413 -0.9477025846074171

Y -0.9031080012334213 -3.7054012151061766 -4.0125723644811728

Y -1.0210926846612118 1.6797491261845909 -7.0405590480488458

Y -1.5180275542446726 5.3045496594683810 -0.9846727679173729
Y -0.9836473485165390 -1.8173502681067797 -7.0137651014916269

65
Y -1.4966574669544148 -1.9057685675116014 -0.9220401194408349

Y 1.8533573830175152 2.2538003846505088 -4.8117147303495029

Y -1.4241807821875547 -5.3536170664814424 -0.8777346389001001

Y 1.8894761240179936 -2.3011971317582827 -4.7733180005149789

Y 4.0367914198537189 0.0899397534565965 6.2707837322191891
Y -4.5097622484828550 -0.0330944595947712 -0.0720223475151068

Y -1.7846268058536678 -1.7190807183169747 5.2801333881477701

Y 3.8245984783863700 3.8076610497943930 5.7045205785441819

Y -4.4211731622859878 3.5775839195276351 -0.2130091521124234

Y 1.2856855241452949 1.7777442402207582 7.1364894112198769

Y 3.8977805731136175 -3.6479141434378972 5.7629258233692315

Y 1.3253984534519578 -1.6408641204550314 7.1633116023776804

Pt6 Y49 configuration: ∆E tot = 5.56 eV

Pt 0.5410629162873991 4.2395773448125853 -3.0905977303055061

Pt -2.6625217672424992 3.9704671683989767 -2.9504156803368136

Pt -1.3026970512552365 4.3188640673846148 -0.6059756248201295

Pt 0.3933004677681821 -5.1753186933296869 -0.5519345182725847

Pt -0.2660654836525705 -5.2399693955344322 3.1792847444921715
Pt -2.7574886017378764 -3.6138413271718752 2.1761669971030435

Y -5.2431081067969698 -1.3349900594642798 -2.6700133749217554

Y 5.4885075034434410 1.5003126292525295 0.1642279527862142

Y 1.7657329903411274 -6.0669051209570259 1.6157552015433501

Y -1.8876825434632216 -5.8825331979056967 0.7689067174905347

Y 2.5736160696183688 1.8488029722067967 1.7521352844927320

Y -1.7124024615585725 -3.3065368436561364 4.7628892709335178
Y 1.1358488792186818 -0.7159845475592616 -3.4517296828320441

66
Y -0.8946513689675805 2.4406124041656154 4.9358570758827129

Y 2.4191599145354998 -3.4475216077935098 -1.2329997982850105

Y -2.8818897558124488 -0.0013145390284180 -1.0531519649282157

Y -2.3482544482587104 -0.7495424031070436 -4.3210813522980480

Y 0.0783929153732143 -3.0758206709672944 1.5398121875596824
Y -6.0638485660219059 0.4701215459828180 4.0294483174570468

Y -5.6618840827394443 0.0498951474018777 0.7041303039437182

Y -5.0136294269476513 -2.6101961335510069 3.4352465887169390

Y 5.2181211162242276 2.4423465961026922 -3.5138671733485247

Y 2.6222369840818804 2.2360958017114294 -1.7856891790843474

Y -0.7272960402308016 2.2351654490402169 1.3246669775120692

Y 3.4993508270644909 -1.4930104561691839 1.7566493610550276
Y 4.3170117559736312 -0.7803676863134114 -2.1292069797961655

Y -3.7202840384593139 2.3816682750858176 2.9851475973478290

Y 0.5894044742984336 -0.3547789103245361 3.5191557302863861

Y 0.9528678397896383 -0.3090111726085504 -0.2845173739856023

Y 1.6222647710151501 -3.7647881292424943 4.6035490910621411

Y -2.9550572468272400 -0.1869356020850031 5.2445411344873918

Y -2.5694836353932646 -0.7663089364609438 2.0400207128897034
Y 5.3150471840739213 0.9101455035044365 3.5076011370129359

Y 4.8063542758694071 4.5768512480319119 -0.7404676745530901

Y 2.9706009753099374 5.3624558090133307 -3.3459889091957478

Y 2.5735679362327173 1.9962090402192756 5.1905767996835976

Y 1.2355139468488685 4.4856438202511040 3.3582660126254038

Y 1.3641935245871128 4.8438644151330408 -0.0897667596924730

Y -1.3089484341611157 3.5211049424668657 -5.2560120081030082
Y -0.8978933015195566 -2.8162658892048951 -1.7571728043789245

67
Y -1.7672873525313386 5.2712742738108140 1.8975608082399624

Y -0.3036037995671757 -3.1044045653012136 -5.3687797239959325

Y -4.2004454406169920 -3.1252177030224306 -0.1146194191596864

Y 3.5156325070553831 -1.1902213406272704 5.2230689323776591

Y 2.9844672260907656 -3.3999018018891922 -4.5722100461650221
Y 2.0262811167376698 2.6385620737698279 -5.0222959569476426

Y 0.3493061284702429 -0.8499155142064571 6.5322358648984329

Y 0.2230976067579948 0.2494047624050221 -6.3841838700101148

Y -0.7827229117503592 1.9563613214045896 -2.3706623563102807

Y 4.6105145678936763 4.0810708213095888 2.5709123523144259

Y 3.6067114021022149 -0.1918927854879938 -5.4733913601049560

Y -3.8232399917151683 3.2362491159755900 -0.3058301392660324
Y -3.1634810876970438 -4.1275851733535935 -3.5087451563769840

Y 0.4318709140834855 -5.5692822888222393 -3.2606210709770473

Y -4.3141717922227087 1.9872359463037135 -3.6058854657429333

Pt6 Y49 configuration: ∆E tot = 6.72 eV

Pt -2.4119375737226392 -2.5942214606074931 -4.4945032907898046

Pt -1.3610422796720416 -5.1642461186942796 0.3133218306894704
Pt -2.5096621361884255 -4.3082697794632248 -2.2791899467577279

Pt -0.4181893241376830 -1.0534579991749162 -5.5459139044909564

Pt 2.7647107997615992 -3.0213148382394777 -2.4193513425457631

Pt -0.0246275574045899 -2.4608752275020129 -2.9896957114896585

Y 0.4927912779057471 -4.8214456248178381 -1.8414374097382955

Y -1.6563138386721799 -0.2045866540315918 -3.1068613684282669

Y -2.8850748603345213 2.7237032285357747 -4.4621511317606464
Y -0.1894353471577370 1.5747306807876951 -5.8967094318099296

68
Y -3.2131097891612281 -0.5141437752019312 -6.0017835624154721

Y -6.3608358231538586 0.2025620137161802 2.9861004721797109

Y 0.0758339187395663 -0.9871428695068006 2.5559811451594103

Y 0.1138157803098355 2.4361200260358933 -2.1945944552672332

Y 3.3228169769135554 -0.0051962821299355 1.6454881742836756
Y 0.9200524119723059 -4.2733523057136171 1.6410119588535281

Y -4.5011665829135614 -2.4305639298150816 -2.9215900881808432

Y -3.1462944055434949 -3.2239790907053778 5.7544595125609996

Y -5.5186339728892593 -3.1639639956042065 3.1757241139867611

Y 7.1393172752611056 1.0160579120289641 -1.3292663478755304

Y 3.4662052269012436 4.6035070608625412 0.7606188668545661

Y 5.5112615560801652 1.2370693657310847 -4.1521682584610025
Y -2.3103048053730948 1.0623474943288020 0.3690140195876698

Y -5.2093179899442363 2.4966563772317727 0.8205179399307714

Y 0.9100505987485066 5.2486801099391762 2.9899910563164585

Y 6.2720541555729872 -1.3249918640526490 1.1405054973250286

Y 3.5507385335699144 1.7792297653187592 -1.3562841498476164

Y 5.6977481455243373 3.9447948245795010 -2.1166040879203907

Y -0.3204972790686009 4.9094951052139946 -4.0773193791315530
Y 0.8829718295775530 2.4305383927421649 1.1288420890475772

Y -3.2185373044232959 -1.0949651555063460 3.1135355269343945

Y 5.4328741779147798 -0.0279988452704328 4.1124670989444665

Y 3.8485639157745792 -3.7118559148307040 0.0125822196803999

Y -5.1243773926604304 -1.1836249017534153 0.2493004862625947

Y -1.4514490060031788 -0.3994715725840526 5.8735606910041840

Y -3.6903296504020382 2.0361948018468059 3.8394903193010195
Y -1.7893968850979063 -2.4651874915331624 -0.3611235103378643

69
Y -4.7322965743474414 1.0517118243503913 -2.2715423458422750

Y 2.0296365986029592 -0.7077030453818093 -4.2114792757515414

Y 5.7980390190859081 2.1875783377828539 1.4371473880847916

Y -4.1286184447843643 -4.8930302801666814 -0.1624872610333668

Y 3.4407041098678004 -2.7297824361878837 3.3454460664125789
Y -2.2207008640769370 -4.3422156271157855 2.8158761870725861

Y 0.2775813147193016 -3.2250542869785659 5.0129283676286720

Y 2.5193031664769747 5.1143156940213057 -2.3127277728099029

Y 0.0101720276321478 5.4563666154799968 -0.3749972331246417

Y -2.9309367562068287 3.9647729717571814 -1.4645046168451168

Y 2.0863859853704949 -0.1428519699227782 5.0779428316207689

Y -2.1167499903594331 4.1985167646005772 1.8128540346488260
Y 2.6780371892484229 2.9292129977165620 -4.6075474032340900

Y -0.2930008552164882 2.2459980757396081 4.2005279033553355

Y 4.9123513424532002 -1.3222754779962129 -1.9787128823107840

Y 1.3703069761913820 -1.2780710429837188 -0.8030202604840129

Y 3.1915563966984259 2.7869244217969897 3.6821528257569978

Y -4.9830434179593039 -0.5612449986725924 5.8661778052010414

Pt6 Y49 configuration: ∆E tot = 7.46 eV

Pt -0.2538137133031966 0.6998102367386309 -6.5414588013822970

Pt -1.7277103060736292 2.6565667859188915 -2.1837786615216861

Pt -4.4590897090606445 2.6320882989649816 -0.9854993282300051

Pt -5.7474077084270681 -0.7411359836765138 -3.2472916456852441

Pt 0.9765015160850913 3.1365249477541362 -5.4052714691666557

Pt -1.9731613581735830 -0.5608256873177003 -4.7462091851452533
Y -5.2882348043047598 -1.8528504719001690 1.8319647063148790

70
Y 3.2947116908741951 0.7956879223918599 -1.6981596461955581

Y 0.2330963213458669 -4.3138991234125763 4.5067733182077516

Y -3.7167089215125908 -2.5764948941097079 -4.3316399646794013

Y 3.0031132840955403 0.7176580625343402 1.8151225203469370

Y -2.2777760472168569 -1.7923846843350326 0.1730208681548373
Y -5.4601512525658498 -2.6351967094306104 -1.4077040539821193

Y 0.2523975711598951 1.0439082134110060 -3.7813616528546263

Y 0.0858470824494221 -1.0463688696786042 5.7535357182123885

Y -2.7784847637863854 -1.2993541701392852 3.8914177415738349

Y -0.0817456984986920 1.4096890835238101 -0.3751136393301134

Y -0.2452521023946344 1.2556473683202218 3.1568220981803798

Y -2.3138208181567852 4.3260798976247772 -0.0417074296542686
Y -0.0385282130346414 -1.9801256010841792 -6.0427960551255735

Y 5.1751930550806913 0.3727247522753393 -4.2517674264379055

Y 2.6432176407625243 -1.9955706204307202 -3.7895156046892331

Y -0.7062118400067275 -2.0329031870278365 -2.6224342293546390

Y 6.2864024424631744 0.4937034257816567 0.3378580846284069

Y 2.0522398606741050 -1.8136954417000448 -0.3210856139844663

Y 0.2022612678524908 -1.9944331917856195 2.3858731319044959
Y 2.9813570404476746 -1.9970183334739586 4.3568880912345707

Y -5.1115282235508568 1.2638056196091780 3.7061380627892846

Y 3.2815301146222082 3.1994002474726786 -4.0011044018521700

Y 0.2468857313731009 4.3303908909403903 -2.8974469108967003

Y -2.2614209172724924 1.4979188858941590 5.8821688006319937

Y 2.8235851413257005 3.7982738017308924 -0.4069087856231060

Y 0.3542604867002716 4.3986407315431340 1.9829571819152700
Y 0.4193492629156141 1.5117649073431287 7.9648892386284631

71
Y -2.8284111712712829 -4.7025671149934896 -1.5867681546929060

Y 5.2835138736498237 -1.9648924675492820 -1.7218706778936881

Y 5.5674978623358120 0.9198769073054743 3.6721292708236035

Y -2.6102657441746380 -4.2916444814149157 2.1251282034689982

Y 5.0467082796753617 -2.1710578361131661 1.6453983169859090
Y 2.5562018529170039 1.1869825828090430 5.3992975162980281

Y 5.9859700699992846 2.8352390040154769 -2.0128210912291151

Y -5.6032701250509467 3.6003008372562824 1.2676682209486418

Y -3.3482906532617878 0.3068415167199477 -2.4269738020145000

Y -5.4262411168019442 -5.2174018002101255 0.7097134675660735

Y -2.7233357572166166 3.7131544728228523 3.3507555084103173

Y -3.2815290906721191 1.1576647312967470 1.0885721143629106
Y -6.2793491337641880 0.5667235492903974 -0.6413210812225023

Y 0.2539137988382722 3.7247744601380215 5.4009427065410831

Y 3.1823098359928959 -4.6214710417326090 -1.4131698251001972

Y 0.3660783577418453 -4.8540351253021390 -3.6327095732696120

Y 3.2247055345443725 3.6585256368642858 3.4307705978672574

Y 2.6243886914539454 -4.3618643741385865 1.9925558435664004

Y 0.0759066302083852 -4.6733496834020238 -0.1419820448397060
Y 5.6894492889760633 3.4808739338513104 1.2625740222592194

Y 2.3731456029922859 0.7992991822158443 -6.4350645957686909

Pt13 Y42 configuration: ∆E tot = 0.00 eV

Pt -0.0120428400393253 -0.0157933379720301 -0.0914432505528258

Pt -2.5784873128296937 3.4739440372527435 0.8384441251488843

Pt 3.1382058200083192 -2.2106636291244586 1.9412810228450537
Pt 3.1656057036919525 -0.1513311357028743 -2.6538426455967712

72
Pt -1.4133022272469988 2.6337724198804935 -3.3844211876184382

Pt -2.6880917152525763 0.1446281420771756 -2.1526322527819697

Pt 2.2322496469723849 3.3264114921276242 0.9455525700451723

Pt -0.2786852189369497 -2.8643014496223236 4.9056896970389126

Pt -0.2436951988550228 -2.8834628304808350 -3.5838437898583577
Pt -0.1557919516526799 5.0997869814193697 1.2715817306684387

Pt -2.5772485001382019 -0.7476153405995081 3.3364239739194708

Pt 4.6360805770914091 -2.6736601089928671 -1.9463595767061534

Pt -0.8800465023905780 -4.3369333308099947 0.7879795525797075

Y -0.2471105503028727 2.1520327518667388 2.6853345865071079

Y -0.1792154160700265 2.7432250012816422 -0.7131850591748583

Y -0.0475532815507939 -1.7905765781871412 2.2586790874247367
Y 0.2548772847859291 0.1060202175174052 -3.0612966932338748

Y -0.2030509882355184 3.3032839642521914 5.7688062905210646

Y 2.1362469623793201 -2.1478571648489178 -0.8186187585746982

Y -1.4459607734793805 -2.2054216641696875 -0.9932096542353392

Y -2.7006746080572910 0.6098719844040412 0.8137857740090879

Y -0.2877961851680890 2.0903346152983122 -5.9391818923891622

Y 1.8414528877676166 5.6689687333517229 -0.4404514497399393
Y -1.8420512719241380 5.6234101971498287 -0.8877330279305318

Y 3.7470549190387072 -5.1880345553839247 -1.8325996788755481

Y -2.9345910797057009 -5.0634638017432190 -1.5027405506686586

Y 5.1536569847918710 -0.5263153409938581 2.7998459118857224

Y 5.3545368268020246 -0.1734978299126772 -0.7485201994550705

Y -5.2491361342445435 -0.4673914180421883 2.6336987443617188

Y 2.4863497352770425 -2.5710826546764904 -4.1334222390365563
Y 2.4478643261503725 0.5223737340726158 1.1607808198394169

73
Y -0.4376989244113644 -1.4414779396000943 -6.0243334718151882

Y -0.4171305213028881 -0.1268686027375867 5.3658620249689948

Y 1.9558377325401626 -4.6777219698558374 1.5238872403433426

Y -0.9635208064732240 -5.0915409516788372 3.4670715955671159

Y 0.3493355942746570 -5.1042702978100936 -1.6742038378801347
Y -1.0909217863945715 -5.1846377033035633 -4.6898130460206042

Y 5.3157385279059737 -3.3532102456122770 0.6660693132627313

Y -4.8165152721404869 -1.2680043730867465 -1.0849622391852567

Y -3.3436402939869962 -3.1839005866057652 1.7162767777185619

Y 0.8724817635286134 4.2904405040308395 -3.6602518630060525

Y 1.7612811471075593 4.7985830132842260 3.2844110473770951

Y -2.5072131509400082 4.7446315974566540 -4.4649991086548138
Y -2.0944138059432857 4.9876760587871276 3.1887162807727032

Y -3.1226079271159630 0.8257170502294795 -4.7844390650636299

Y 2.8728219700450039 1.1832640075810115 -4.9739039405583956

Y -3.0176289878963534 -2.4872751006883957 -3.8920315781726553

Y -5.0485638666109551 3.0477747296743685 1.7644075703115909

Y -3.7526815117062480 2.7740878444993662 -1.7104549870517307

Y -3.0403337006566735 -2.6375031740130046 5.1882342912293185
Y 2.4277493245546049 -2.3296919715642384 4.6069772916963476

Y 2.6473502014720118 1.5382092402187715 4.4699314505153804

Y -3.1790045188063374 1.8311223241077264 4.3789681622762915

Y 3.2439642643727700 2.5481773230368860 -1.6788303764580459

Y 4.7556646299074288 2.8357571229610761 1.7530284874613000

Pt13 Y42 configuration: ∆E tot = 1.29 eV

Pt 0.1376094842622430 -0.0390533768985842 -0.0031050287633408

74
Pt -0.6354213707615868 4.3229208803309813 -1.4379212569903217

Pt -2.9622283535170020 -2.4050080505986191 2.5561954805734985

Pt -3.3749848445738433 -0.7537284899608599 -3.0687624066461954

Pt -5.1877619561040866 -1.1353983155310923 0.2477128015176015

Pt -3.2997377178324987 3.2263453396148849 -2.9617604442490642
Pt 1.9303537864086620 2.1664732702210228 2.0302054100365687

Pt -0.6308109959687282 -1.6074468808093041 -2.9399963917148435

Pt 2.2169577265252576 -4.4065830031361104 1.3029285855841546

Pt 4.2404009882184663 1.3145547694619326 -2.2187187249811240

Pt 0.0143739567732881 2.5960202628669844 4.2948101784299793

Pt 3.7557983009449378 -2.3634486143520528 -1.3449014232170651

Pt -2.4458478817305540 1.6021565355595087 0.5518105082102588
Y -1.2828463376804002 1.3623694665174115 -2.1377422958976231

Y -0.1874841194655162 -2.9176567298109379 2.2209504041343147

Y 1.7330285188559591 2.5756516384955344 -0.8619529486764917

Y -2.3664358530665686 -1.4032578917215428 -0.2175208141752264

Y 2.4955500057277056 -0.5612498929843460 1.3218027388970346

Y -4.6956131049360010 1.0690527995837629 -1.4875788886388479

Y -0.4387641839143859 3.4019704752855167 -4.6108779556866581
Y -0.1871899264711630 -2.1649675159181818 5.4894398785669054

Y 1.2720080810043450 -3.1505087275845076 -4.1071470307289735

Y 2.5500064031949146 5.4543147330460355 0.5175957510396411

Y -3.2996400161665971 4.1178286786051137 -0.3158465507929594

Y 3.2638382052395678 -5.0633618993927785 -1.2967717313845410

Y -3.2805411931574131 -4.5776999450284857 0.6608503099916553

Y 5.0016168670258727 -0.0305479389691959 3.2018277796441272
Y 4.7241882972789062 -1.1803948181040305 -3.6313683714779348

75
Y -4.3179699575928510 0.6228286574503775 2.2715883695398782

Y -0.6127971755114476 6.6317039068294461 -0.0438047713424466

Y -0.0592505682759335 -5.8577298777372073 0.5169643614654714

Y 5.5591754613310993 -0.2041495568472608 -0.3338343240048723

Y 0.1236141798052106 0.1538928560384535 -5.2450440658787327
Y -1.7012314630937730 1.2945414566306388 5.8757594475124248

Y 1.3377664718567099 -5.4286940425872308 3.7019849049408311

Y -2.3001683718112034 -4.6834109566071431 4.0133766465836942

Y 0.9080614748202072 -2.8630035338892013 -0.7700200116366683

Y -1.7709698251426342 -4.3025373749851452 -2.2972556647427229

Y 4.7474808156550461 -3.1629127490110989 1.2724059004736246

Y -4.9665900228367201 -2.7376353895976075 -1.9972298728147582
Y -5.6460187421479775 -2.7332656220209381 2.3885935303298389

Y 1.4924292251493299 5.5209088626435117 -2.7158409400934973

Y 2.2493629914256679 4.1793344829825578 3.7670134330261607

Y -2.2993554704882673 5.7427471487774460 -3.1858866385062230

Y -0.5457199241375008 3.6179622847388266 1.6703645247763834

Y -3.3146467580414622 1.3075958564951389 -4.9405118233937566

Y 2.8065568007447421 2.3410410388099470 -4.3161104559660135
Y -2.3027424059500898 -2.2811667991827411 -5.0408609366199171

Y 1.9269472552659788 -0.3121804921317411 -2.3383192055377577

Y -3.4708407257043632 -1.4025811696183705 5.0365471307113401

Y 2.9037227643586307 -2.5178147731390847 4.1000808375140512

Y 1.9288363784847453 0.6499815469846731 4.6703779471868359

Y -0.9376349870647083 0.2704337049308158 2.7715346772154987

Y 4.7182230540136922 3.9855311352323906 -1.8769028797439207
Y 4.4833367587740929 2.7192326400224944 1.2908723164007281

76
 Pt13 Y42 configuration: ∆E tot = 2.39 eV
Pt -1.6722090897861894 -1.2170846899834831 -4.3031419114907221

Pt 0.0562993356957461 -1.8426998034216715 4.4405225882740140

Pt 0.1613604655138047 2.6644477351643050 -3.3486219417917420
Pt 4.3059409018531767 1.0312912331229511 1.2668149307106069

Pt -5.3817489965611047 -0.6018725413334390 -2.6999498031610978

Pt -1.1809407889219929 -0.0639138283648112 0.1286333901436527

Pt 2.0257331568885624 3.1160836586975287 0.7512329941179816

Pt -3.8355751895726415 0.0818109964921688 3.5416476506948822

Pt 4.2177061310520703 0.1108619358650623 4.2065637242389986

Pt -1.9161437075658962 -2.4858075848183190 -1.3768931098435297
Pt 2.5234436796174702 -2.1087955145894877 -3.1946401518174845

Pt -1.8395286181321786 3.7228930681753201 1.9108269272199641

Pt 1.5655310139608545 0.3075934153117977 0.3035321072419941

Y -1.7402556013826194 -1.9800638607819585 -6.7627562361497118

Y 3.1282506296462662 -4.5194711564627790 -2.1670513990299751

Y 0.6749065491758538 -5.7861652395297165 -0.1110686080120669

Y -2.7368243480509458 0.3497893587510262 -2.1610587041372895
Y -0.9669846519440347 1.2324816354510877 -5.4954292211870497

Y -4.2206704500716006 0.3173425175871585 -5.0262969468480865

Y -6.2747333884121312 0.5029315599682059 2.3775465086767156

Y 0.6358417366244794 -2.6055628198010345 -0.0206467842902525

Y -2.3496440405753445 -2.9812077433279209 5.4557007172872076

Y -4.9020980497179352 -2.5706171873844510 3.1537398755296788

Y 6.3770253800979777 0.9677980260886617 -0.5066343044195714
Y 4.6480810543218798 3.8736363052097933 0.5270763062044992

77
Y 4.7372667773215076 -0.3434960032243963 -3.7636280867508480

Y -3.3589514100078404 1.4908415759413813 1.0363489688396852

Y -3.8006416749565179 -2.8121062341284744 -3.3328992161223701

Y 0.5525537651723283 5.0917651210278772 1.7183979399506915

Y 1.5835801176084294 -1.2724344620126975 -5.6113558078987422
Y 5.5403016370162810 -1.4217092979626140 2.2930018816192286

Y 3.3246899156975198 1.6827005315078991 -1.5499719447825573

Y 5.4674651800558571 3.2538466093384546 -3.0908326974006846

Y -2.5428498237150814 3.5451992261955625 -3.3709739568683883

Y 3.3158169092554362 -4.2891885044807809 1.3499863345087206

Y -4.5884977558601463 -1.4786620392335004 -0.0632637743589015

Y -1.5992438829625024 0.2019364425860465 5.4480763606175868
Y -3.3656581826028953 2.8203392814509338 4.1248311144408243

Y -5.5183752252317921 1.9787715640636105 -1.5418875163104664

Y 0.6049080257027112 -0.1323036007864213 -2.4645033410204533

Y 6.2131315309383304 1.8145350888243654 3.0916749865010456

Y -2.5775903168071270 -4.3566802035723304 0.5355171151600229

Y 2.1793428030089190 -1.0621226562338850 2.6163868949505664

Y -1.8448387596745712 -1.6171736755427317 2.3192861040765012
Y 0.1984292171528731 -4.3050325338196531 3.0516113883504117

Y 1.8621339214994495 4.5230429589350001 -2.0806163246440104

Y -0.5169602709942812 2.6598412205622899 -0.5958327322741299

Y -3.3682264881323576 4.6843438168987337 -0.1188342591866256

Y 2.2361466546690210 -0.8730116758770249 5.8668848410136505

Y 2.5017106021994948 2.1962069866504410 -4.7570834599540248

Y -0.2342104213308563 1.5210043134080204 2.5770086103925429
Y -0.1021094849041509 -3.5098265654861733 -3.3663171765482334

78
Y 3.7430657768310809 -1.4626420062547392 -0.6433602243222323

Y 2.9111541384355624 2.4537940117230348 3.4873811122059308

Y -4.8563063891382070 -0.4974787665842286 5.9453182676536356

Pt13 Y42 configuration: ∆E tot = 3.51 eV

Pt 0.0961374860455144 2.9823834955263058 -4.7556638719816364

Pt -0.1111202361112629 -2.6543182965934546 -5.2079961027378170

Pt -3.0228801100094369 5.0286133955014014 -0.4609787955705976

Pt 5.7011516436472149 0.3302161351656308 2.7547866553561269

Pt 0.2469931413333610 4.6604696887946817 -0.6457243711967892

Pt -1.8957726966970159 -4.4574147197203429 2.2290697365060490

Pt 2.4438719155324309 -3.7199015831589106 -1.9549672675107430
Pt -2.7741414454381843 -3.6028349444881176 -2.0781621737106111

Pt -4.8872815764690394 -1.5475773476270094 0.9135332079452009

Pt -2.3362518154679419 2.9359478040496576 2.9548179030187089

Pt -1.9586623449747791 -1.1939014577522968 4.4756350566920737

Pt 2.5079484421834666 -2.2257728978833047 3.7692115581333523

Pt 2.2241365115521119 3.5202275055146757 2.6111784280026917

Y 0.0446246437277325 -0.1948273212899476 0.1282745856281415
Y -0.1136923367087272 1.2940303314751569 2.9741487025652007

Y -0.0176928901485092 1.3764471222673991 -2.6097467904107852

Y -0.0637773522943077 -2.2109919838480625 2.6848158658243531

Y -0.0578349960224831 -2.4298108464628854 -2.4587504391949446

Y 1.9424314508477607 2.4465386195948513 0.0456401229044456

Y -1.7839097839001223 2.6888699247755898 0.0301581744430718

Y 2.4136439968073873 -2.4366174836959686 0.4812010313306972
Y -2.3348803148618051 -2.4003207515588816 0.2852189705587113

79
Y 2.9635992546896515 0.3303194235399030 2.7902892572306248

Y 2.9786072372807260 -0.1324317573937295 -1.9048253494032552

Y -3.3045063617449877 0.3549450983991811 2.2470920258710132

Y -3.1281124911303468 0.1101174747448850 -1.7094478775308628

Y -5.6967430671198578 0.3467808232375713 -3.6216996241034405
Y 1.4947300714603993 2.9430754274687447 5.1643380406897910

Y -1.2991519046062472 -3.9680007460025841 5.0246798515742492

Y 2.6472009109150685 5.5443837624276204 0.5566812396917596

Y 3.4923663104319669 -5.4780200801526311 0.0201310108253147

Y -3.4599334527774630 -5.4052744561520454 0.1050026450663514

Y 5.7671762454298996 -0.0411266741350591 -3.5930635414630050

Y -4.0408617153876758 -2.9695121266822460 3.2388858227263375
Y 0.0714714552955529 -4.8695796203508808 0.1327792505299340

Y -6.0138793209636159 0.7466184498361219 -0.1262501864159259

Y 5.5894978779329030 0.0634773808323019 0.0738465820660489

Y 0.0138148604625499 -0.0272737776741048 -5.6061538660594428

Y 0.6395808144126323 -0.7467771040483964 5.5964207122244893

Y 2.0723476353386219 -4.8065101711760958 3.0893982607571200

Y 5.0198519568646027 -2.8311758943530574 -1.7604337125158123
Y 5.0134373401055967 -2.5431535314200602 2.5197356368048247

Y -5.2868513145878619 -2.5869471065266580 -1.6364815601272411

Y 1.8542564871850080 4.3776670745566779 -2.9025544373942758

Y -0.3160154588725270 4.8215531399978229 2.2716921826756789

Y -1.5675831587610933 4.6292133140256748 -2.9135513698240967

Y -2.7401019414288044 1.8985864686201546 -4.6238525618966158

Y 2.8695363185147675 1.6809053085546948 -4.6744562419575315
Y -2.8090642488973243 -1.8571317078839913 -4.4297401054955747

80
Y 2.6732821103460780 -2.1052771269500159 -4.5225676948542599

Y -4.5276731736927722 3.8026200127650176 1.5336494776501819

Y -4.5976024502987496 3.2787692943340057 -1.9886965750292596

Y -2.2463737030306152 1.4550831676375688 5.4216772263085913

Y 4.7139543817195371 2.8145999605040344 -1.8677914309497419
Y 4.8967011623410190 2.9800219108334054 1.9295667257331288

Pt13 Y42 configuration: ∆E tot = 4.25 eV

Pt -4.8507194972503065 0.7179361874337088 -4.0647568137555234

Pt 0.3127600104006759 2.9790698947586867 4.9680883056573206

Pt -0.0383036225255279 3.5124583668179072 -4.6232197321839239

Pt 0.9885887638019534 -3.6503668317714242 5.0555962925949212
Pt 0.2669798639614767 -2.9056266000620363 -4.9757524038285297

Pt 3.1945201209547553 4.7580207086180444 0.0123571485048502

Pt -2.6343626070820489 5.3871132812929021 0.4127831016341588

Pt 3.0962181010609564 -4.8728590336195099 -0.1389877020230960

Pt -2.4704135365074746 -5.5862101445318553 0.7967937501649577

Pt 5.0591200164230541 -0.0610705164489335 2.8015715443826559

Pt 4.6771191120291986 0.1660350318859586 -2.9961199643661609
Pt -4.7044131533146496 0.9711272839450337 3.4443975407415546

Pt -3.4128500411533880 -2.4886122023697590 -1.8190951329630451

Y -0.8897492582715890 -0.1602701734891411 0.3488772997352217

Y -0.2194909873878865 1.6242923146915924 2.7644647690967701

Y -0.1287154415143332 1.7022332747629694 -2.7055553180990333

Y 0.2511338306406348 -1.8930392936358293 3.1852272084643318

Y -0.4251343888730216 -1.9906843151134748 -2.5678787715090379
Y 1.5413592464102734 2.7374213519357644 0.0931462786437990

81
Y -1.8826161790063534 2.8991873205046979 0.0347098993785869

Y 1.4975735471499663 -2.7906485277669928 0.1800117814737868

Y -1.8617868862439666 -2.9454788898965729 0.8165645370902243

Y 2.6546996495728354 -0.0064747249023053 1.8061147785157809

Y 2.4724528772676679 -0.0932108733345843 -1.6079992719225598
Y -4.5558849397202508 -0.0811361528357449 0.8424687467110140

Y -2.8883620165666395 0.2527527616834363 -2.0890922739544107

Y 0.0971369090897155 5.8469388268991356 0.1302903911856966

Y 0.2641794167979646 -5.9173355916763741 0.3386450695493715

Y -5.8500550444636819 -1.1585106379335057 -2.3354966952208698

Y 5.5943661781794880 0.0017243767346543 -0.1101401658105453

Y -0.0976467570368075 -0.1863622442821075 -5.5549429655808202
Y 0.0936285281225611 0.1487597725503845 5.7843081347432133

Y 2.2641891295149161 -4.7725687386900573 2.9288601287477039

Y -1.1855541417254729 -4.9047890478611835 3.4371472419608069

Y 1.5894833204300340 -4.6416794764351375 -2.7280376967048992

Y -2.1521442132052115 -4.9359731696390101 -1.9706117390454809

Y 4.4576503453188012 -2.9248414377690963 -1.7215639857878389

Y 4.6891664438099516 -2.7533711934867409 1.6980687660227802
Y -4.7955545242943574 -3.8464443912060009 0.2403804433859066

Y 1.6998349936184320 4.6934461128909426 -2.7334640516891295

Y 1.8164439220966306 4.5179713095400276 2.9581196701553636

Y -1.7996375134021276 4.7667748158447534 -2.6879956966600012

Y -1.5276514859857757 4.8590528933591512 2.9838793264479873

Y -2.6933782216684996 2.1685962504991121 -4.9302753801437946

Y 2.6557548255375800 1.7721250883474511 -4.5435308741249001
Y -3.1720297686524113 -1.6366970759044674 -4.6713976492885836

82
Y 2.7293328122844684 -1.7891421386385371 -4.4958725698552193

Y -4.4249993308162727 3.3227040158847174 2.0111812156235582

Y -4.9273404467636990 2.5823114200588373 -1.8535952405979004

Y -2.8903826667516617 -1.1420941041568318 3.6638215391945130

Y 3.1904339485957065 -1.8115687826006335 4.7131981719125555
Y 2.8902205934817413 1.7438864288019698 4.6309338831814726

Y -2.6757878765536223 2.2227194557340972 4.8454967548210446

Y 4.4795419599743838 2.8074325403505265 -1.7350696699058343

Y 4.6310760802112103 2.7849752242313768 1.7329480452992330

Pt13 Y42 configuration: ∆E tot = 5.06 eV

Pt -4.9746783219761577 1.0704474634901902 -3.4475878745513664
Pt 0.0567260698927744 2.8458215614767899 4.9379392493882861

Pt 0.0390144540020704 2.5811563478464241 -5.5006172159134152

Pt 0.5846882952025244 -3.3324359219266095 5.0387084881427384

Pt 0.4035183999904594 -2.9783511236698454 -5.0729470656441080

Pt 3.2263218332794725 4.8207841719739477 -0.2226136948058789

Pt -2.6982440570908617 5.4106077986307426 -0.2107327954388646

Pt 3.0277657306593673 -5.2019691904385965 -0.6615628978378746
Pt -2.4211307610897430 -5.6204958234948421 0.6837259656574096

Pt 5.0391220880994343 0.0394438359886425 2.8078600496178940

Pt 4.7425093022327918 -0.0114679909726971 -2.9561646219625497

Pt -4.8426622884961015 0.2649755069017561 3.4518734244026423

Pt -3.3702712615065744 -2.0696462061697996 -1.2414010846091437

Y -0.3087531729691345 -0.1866089411763238 -0.1092105062011436

Y -0.3125369301555319 1.5365669027630491 2.6510158838939124
Y 0.0459717432031418 2.0397665362823791 -2.9237596894402809

83
Y -0.0435571287771817 -1.7639512990470718 3.0101401841327307

Y -0.5611579574384545 -1.9612744459766629 -2.7904804588220240

Y 1.5813201050479102 2.7795374636453478 0.0621951023185622

Y -1.8120859388769057 2.9397629099745832 0.0511280708524044

Y 1.9596799647324468 -2.9321782301467105 0.1237257232232102
Y -1.2456215040544842 -3.1104278473643698 0.4135026677598510

Y 2.6211544399821340 -0.0178863708248042 1.7667968362309885

Y 2.4240926780755236 -0.0806271938048650 -1.6885542013098906

Y -3.1809706917108125 -0.3812173065077428 1.4040516469338875

Y -2.6862694833009337 0.6451451785495482 -1.9250327022463900

Y 0.0826405450388442 5.8645628828954344 0.0953673556351268

Y 0.3621829231779107 -6.0347444351375188 0.1746450716392266
Y -5.6660615040560325 -0.2391368909111901 -1.0644961274498350

Y 5.5571252604025423 0.0221064606379645 -0.0821528654260172

Y -0.2006575923010852 -0.1713049826000980 -5.6076915245681889

Y -0.0571047102030358 -0.0244873584243731 5.7803047405869634

Y 2.0069652130941211 -4.6163135699456390 3.0587766020285092

Y -1.4503497099538132 -4.8579250918497152 3.2621780364001514

Y 1.5248671156913809 -4.5893614014754505 -2.9104752922551351
Y -2.5495901271325332 -4.7813900247507135 -2.0103103117280265

Y 4.5827222770860647 -2.8837001137050531 -1.8158259555661325

Y 4.8407860785768397 -2.6610433317869346 1.9491665013093857

Y -4.3655565841836088 -3.6396227024942429 1.0417616708309729

Y 1.9481075963029886 4.8395689482986555 -2.7190378627143086

Y 1.5085632951684849 4.4679291891074868 3.0204841811157128

Y -1.6770840067261341 4.9832852416668700 -2.7552746193962245
Y -1.9453593660615391 4.6879683557094225 2.7691456742694887

84
Y -2.7986476803417455 2.2225106152008967 -4.8905772410149879

Y 2.7919575340674916 1.7382632000786844 -4.6831295482344544

Y -3.8231791192232132 -1.4312287004769286 -4.0797224982542204

Y 2.7822525408614514 -1.7450750247567652 -4.5647766133674210

Y -4.7534329988063897 2.5295636765976970 1.7444106904411931
Y -4.6222533168041915 3.3917212805287780 -1.8336008643651021

Y -3.1324796666585977 -1.7525780587874278 4.4503433860816486

Y 2.9170934467129674 -1.7454738652390558 4.7630261387684314

Y 2.6639824504226954 1.7487725323594889 4.6374719798215338

Y -2.8831891637055813 1.7611767080479199 4.6390150351319406

Y 4.5196249501214130 2.7424146491345955 -1.7752284497358553

Y 4.5421287124751322 2.8480640260747596 1.7542042262440496

Pt13 Y42 configuration: ∆E tot = 6.94 eV

Pt 2.6894402826692629 -3.7240956278495085 -1.3004687748520944

Pt 0.6014628015374818 -4.3901571972408657 0.5506275633479077

Pt -0.6240762841071300 -2.8588837005595344 5.1732742586223042

Pt -4.0702281387890933 -3.1985853993240321 2.1505764675038401

Pt -3.3970637305830773 -0.9091753421350176 0.6050290425067798
Pt -0.8832914443072660 -2.8943615859529741 -2.6524310703258038

Pt 5.0032411999641413 -1.0545920199936738 1.9328959786103268

Pt 2.8475846461175585 -2.7423968998356187 1.2846797111683310

Pt -4.4522332188797344 -4.9547925037493572 -1.0586796102094929

Pt 3.2256636628682966 -2.0332586951306117 4.0447957547582680

Pt -1.3532118963736719 -4.4858186680191157 2.5966102573020544

Pt -0.0661279007257477 0.9248975885513832 3.4896445587680356
Pt 3.3042665197496488 0.1103062575176782 -3.0812974712899992

85
Y -3.4050171065154751 -3.9759445004527283 -3.2819102486757075

Y 0.3784079562465575 0.3086401839156155 -3.5045742906309476

Y -3.3476616366740619 2.6249626686342453 -3.4166589605784345

Y -0.1980781573822054 3.4521989257593169 -4.9203315931952849

Y -1.9460357250956208 0.8428476808915834 -5.8512778586936189
Y -1.9567086569214138 1.3963901662206659 1.2317595489229078

Y 1.2649324586884065 -3.9446450902379038 3.3773335715704835

Y -0.6475884431382181 2.9187885132671809 -1.5461359927480145

Y 2.3612181148727207 -0.1315385933997116 2.2449801565153837

Y -4.5007480832546483 -0.7328330015197128 -4.2215211593217088

Y 4.3671814365367281 -1.4518466807981474 -0.8569390758941792

Y 3.5429741852950976 4.5102856652475118 0.5574777718433451
Y 4.8933900409892592 -0.3224085619675413 -5.1178147018068234

Y -2.3216977346075125 -0.4934163598136011 -1.9051549198030595

Y -4.7476214386287294 2.7221407330948679 2.5652080405312541

Y 1.5931134216755118 5.7348544027541308 3.3759437285791760

Y -1.0737067651696177 -2.2302103901696704 -5.2990594066733010

Y 2.3780462245000775 1.5790410828047223 -0.8853381844535534

Y 5.1442136622111461 2.3018835590974653 -2.3058622748581765
Y -1.5452628233665668 5.7130537541207884 -2.8610012642899871

Y 0.9293368231745246 3.0527375586739014 1.8367665653507914

Y -1.4489764974752146 -1.6722770815602406 2.8184996165448322

Y 5.1085176044637146 -0.1780433195063767 4.4773146972176816

Y -5.3482690311235670 -2.4781044092325741 -0.5395516635422212

Y -3.1371475913767015 -3.9639981317152468 4.5990437218570968

Y -2.4992778081130891 1.1632471882672313 4.7229190057353181
Y -2.1650726440227843 -3.8099685315324612 -0.0352275278775616

86
Y 2.2059912705741884 -2.5140568669585539 -3.7220128130174341

Y -4.9706395721944334 1.1762340434163465 -0.5529028987128420

Y 1.4786654787796050 -0.0840624414297447 -6.5112654732943902

Y 5.3302036162741535 1.5374790898185635 1.2367755384200430

Y 1.9825199003093033 4.7461910814318315 -2.5294125831482779
Y 0.0268135742594987 5.7706130384282632 0.2373643487145930

Y -3.3132048099115976 4.2942730400633922 -0.1308806427497299

Y 1.1700490059182076 -0.7826532701959882 5.4140659335256265

Y -1.8045467489058831 4.4580436015265414 3.0436404523008429

Y 2.9589662829586185 2.3737800699580407 -4.7623825411572334

Y 0.5256631039597072 3.0067087855544403 5.1960051242981731

Y 0.5011374823534979 -5.1850572187241299 -2.0580390453858541
Y 0.7731200138876949 -1.7782996325199445 -0.5030307385907863

Y 3.6075988884174293 3.0252822321550639 3.7529428098636988

Y -4.9702257716089724 -0.7693991896461788 2.8949885613974216

Pt13 Y42 configuration: ∆E tot = 7.29 eV

Pt -1.1393356752566770 2.4675896388004768 -3.2364250626201727

Pt -0.7661537723918986 -1.7035385231825548 3.0042827264397158
Pt -0.4531041049768134 -2.1500763293374701 -3.1506914529270045

Pt 1.2466836011911335 3.0914537517302807 0.5647296065731970

Pt 1.4442218893994723 -2.9932048399326532 -0.9247798585631919

Pt 1.7814005516710336 -0.5196007928408706 4.2491812884453175

Pt 2.4507904890863474 0.2174783574020476 -3.0746392950045829

Pt 5.4210267901979599 1.0012516254173633 4.2181547007774984

Pt 5.8168119436683368 -1.5666750559448148 -4.4140351797959942
Pt 3.4585111853617034 -0.9841601585185751 -0.3466813795723860

87
Pt 3.8981686093653427 -2.5072953845289301 -2.7551787420759837

Pt 4.6391586558684335 -2.0797680459100598 1.9275723082056653

Pt 3.4066399780841987 1.7586977702978139 -0.8006416585958316

Y 0.8495670856502681 0.0215342501553411 -0.7913615221195494

Y 0.2152224111641020 1.3781659806495943 2.7435172439221764
Y -1.5336633372343582 2.8522706362747035 -0.2699789973052151

Y -1.3136214269682627 -2.6589240534975427 -0.0127378287683413

Y -2.7322727632176389 0.0380710443580424 1.7123208898561331

Y -2.6728544509141883 0.1011487622171672 -1.9572993608362752

Y -5.5982071943296878 -0.1471268219971839 -3.3561058946049078

Y -0.0167056183583668 3.5992285365817609 5.5867579967569609

Y -0.3464720211233751 3.6962663639852367 -5.5486617840598091
Y 0.6238850028331914 -2.8215406346361473 5.1943118374190123

Y 0.0410458588753893 -2.9477776710887418 -5.7714011448279177

Y 3.8372822097967680 4.1441876367522612 0.1609629101212177

Y -3.2642562973837772 5.6633219197399569 0.0553290032360289

Y 4.1732562876836159 -3.7057866203895808 -0.3689613241793326

Y -2.9060360198738002 -5.5137861919353792 0.0464357573461129

Y -5.5272275330105201 0.0253245539400571 3.4262530420463917
Y 0.2670776342030188 5.6218660234344657 -0.0517041968061987

Y 0.5370053099506181 -5.4259872444952144 -0.1861950021176406

Y -5.6039487400772146 -0.0064156107715411 0.0132130647195574

Y 0.0515568310621027 0.2482480085485571 -4.4648725264203453

Y -0.2584002375173868 0.2803697625597177 6.0456759548517596

Y 1.8765227963043880 -2.2832424279589829 1.8941175613989911

Y -1.5123312851121449 -4.4076280496488280 2.8726059705889249
Y 1.9772437672486636 -4.2617897850478625 -3.3692642346837465

88
Y -1.5285574433740370 -4.6725488724447608 -2.9603917447646255

Y -4.4558187244529996 -2.9170809164437332 -1.6701982942820111

Y -4.4402189199826916 -2.8735895029174787 1.7932976273322849

Y 1.6089507951475526 2.9732782250939693 -2.5658243905532592

Y 1.8147820797468353 4.4383590949134968 2.9614689265906513
Y -2.2167621961317310 4.9638363414260898 -3.0068580542820369

Y -1.5719459074369444 4.5650367575409048 2.7130939270469279

Y -3.3573374638612736 1.9523065575412126 -4.7896194804374943

Y 5.1512786208777381 0.0873911194592514 -2.3910852237299700

Y -2.9533480963871921 -1.9183239789575255 -4.5711988582089385

Y 3.3000120563982032 -1.3083029861168398 -5.2238537789816935

Y -4.5059899923185771 2.9009833850422901 1.7005904569405195
Y -4.7853769682368945 2.9259910820493311 -1.7604599444376550

Y -2.8475465183955646 -1.6926074816027297 4.7720463169690248

Y 4.3859219781210568 -1.4594596254108276 4.5402481115364264

Y 3.0143764656026137 1.7639657260809416 5.1783239168371651

Y -2.8704320735704711 1.9353493803682531 4.5463917802770748

Y 3.8895238973343909 0.8132653131962393 1.8702232893273771

Pt13 Y42 configuration: ∆E tot = 12.16 eV

Pt -0.5951994347707631 3.9598681089406549 4.9975880318293013

Pt -0.5951994347707631 -3.9598681089404506 4.9975880318293013

Pt 2.9514427074043112 5.3909921754004859 -0.4469915660241142

Pt 2.9514427074043112 -5.3909921754006724 -0.4469915660241142

Pt 3.4357471995147102 0.0000000000000027 4.3430513379506372

Pt 5.4782990192089409 0.0000000000000027 -0.9347589118957103
Pt -0.7237725547320851 0.0000000000000027 3.3976641860708918

89
Pt 0.0448095250109989 -3.9323922298590421 2.2623323117660541

Pt 4.6954499550661009 -3.9546741377858821 1.0357644940029427

Pt 0.0448095250109989 3.9323922298590475 2.2623323117660541

Pt 3.8388447570722719 -2.3594048840091464 2.9764623235956158

Pt 3.8388447570722719 2.3594048840089528 2.9764623235956158
Pt 4.6954499550661009 3.9546741377856947 1.0357644940029427

Y 0.2735483282597032 0.0000000000000027 0.7983353167013407

Y 1.3326699091618603 1.8594815476997537 4.0656050851326269

Y 0.0309232287210038 1.7672387598276593 -2.5423458043830283

Y 1.3326699091618603 -1.8594815476995494 4.0656050851326269

Y 0.0309232287210038 -1.7672387598274550 -2.5423458043830283

Y 2.1563059564958036 2.9721729612285070 0.6900306893907964
Y -1.6951195039727736 2.9217123126773590 0.3761318892995169

Y 2.1563059564958036 -2.9721729612284955 0.6900306893907964

Y -1.6951195039727736 -2.9217123126771547 0.3761318892995169

Y 4.1102583612863475 0.0000000000000027 1.6608550907100932

Y 2.8408237507352090 0.0000000000000027 -1.5801611446328436

Y -3.0219204672385405 0.0000000000000027 1.7285443531520934

Y -2.8367752241718125 0.0000000000000027 -1.5989382166377479
Y -5.6639296262144931 0.0000000000000027 -3.2719501893707146

Y 0.0457684716626295 3.3962939255624529 -5.4369709321785162

Y 0.0457684716626295 -3.3962939255624445 -5.4369709321785162

Y -3.4913456345790501 5.7160276214072123 0.0532512561029763

Y -3.4913456345790501 -5.7160276214074042 0.0532512561029763

Y 5.7906538186971579 0.0000000000000027 -3.5298047205004148

Y -5.4898227577152223 0.0000000000000027 3.7053701488205615
Y 0.2478940039931933 5.7950660556257159 0.2113789444794903

90
Y 0.2478940039931933 -5.7950660556257105 0.2113789444794903

Y -5.8906066607534662 0.0000000000000027 0.1459387954178147

Y -0.0304707754048860 0.0000000000000027 -5.5162419725891150

Y -2.1935810340717459 -5.2482683010559068 3.1860799370573067

Y 1.9684422393957297 -4.5636052443878281 -2.7332188497857310
Y -1.7377654973552150 -4.6155406612131671 -2.6787551197723709

Y 4.9705952414215373 -2.8618313650861218 -1.3193165176677553

Y -4.6285493476739372 -2.9086476399802201 -1.6324154045832378

Y -4.7688428082859806 -2.9946034260841072 1.8652079424902575

Y 1.9684422393957297 4.5636052443878352 -2.7332188497857310

Y -1.7377654973552150 4.6155406612131769 -2.6787551197723709

Y -2.1935810340717459 5.2482683010559121 3.1860799370573067
Y -2.8787177615526223 1.7749428630532047 -4.4671258574963586

Y 2.8838897420991643 1.7263464745695218 -4.5402842103489913

Y -2.8787177615526223 -1.7749428630531963 -4.4671258574963586

Y 2.8838897420991643 -1.7263464745695103 -4.5402842103489913

Y -4.7688428082859806 2.9946034260841188 1.8652079424902575

Y -4.6285493476739372 2.9086476399802255 -1.6324154045832378

Y -2.3139309209783003 -2.0180049260508435 4.4036393204947792
Y -2.3139309209783003 2.0180049260508550 4.4036393204947792

Y 4.9705952414215373 2.8618313650859313 -1.3193165176677553

Pt13 Y42 configuration: ∆E tot = 22.57 eV

Pt 0.0000000000000014 0.0000000000000016 0.0000000000000011

Pt 0.0000000000000014 1.9191364866896203 3.0566772842796195

Pt 0.0000000000000014 1.9191364866896203 -3.0566772842796168
Pt 0.0000000000000014 -1.9191364866894214 3.0566772842796195

91
Pt 0.0000000000000014 -1.9191364866894214 -3.0566772842796168

Pt 1.9191364866896201 3.0566772842796133 0.0000000000000011

Pt -1.9191364866894216 3.0566772842796195 0.0000000000000011

Pt 1.9191364866896201 -3.0566772842796168 0.0000000000000011

Pt -1.9191364866894216 -3.0566772842796168 0.0000000000000011
Pt 3.0566772842796195 0.0000000000000016 1.9191364866896199

Pt 3.0566772842796195 0.0000000000000016 -1.9191364866894218

Pt -3.0566772842796168 0.0000000000000016 1.9191364866896199

Pt -3.0566772842796168 0.0000000000000016 -1.9191364866894218

Y -5.3981967864530143 0.0000000000000016 -3.3521297062103241

Y 0.0000000000000014 3.3521297062103179 5.3981967864528180

Y 0.0000000000000014 3.3521297062103179 -5.3981967864530152
Y 0.0000000000000014 -3.3521297062103241 5.3981967864528180

Y 0.0000000000000014 -3.3521297062103241 -5.3981967864530152

Y 3.3521297062103175 5.3981967864528189 0.0000000000000011

Y -3.3521297062103241 5.3981967864528189 0.0000000000000011

Y 3.3521297062103175 -5.3981967864530143 0.0000000000000011

Y -3.3521297062103241 -5.3981967864530143 0.0000000000000011

Y 5.3981967864528189 0.0000000000000016 3.3521297062103170
Y 5.3981967864528189 0.0000000000000016 -3.3521297062103241

Y -5.3981967864530143 0.0000000000000016 3.3521297062103170

Y 0.0000000000000014 5.3715130383639584 0.0000000000000011

Y 0.0000000000000014 -5.3715130383639549 0.0000000000000011

Y -5.3715130383639549 0.0000000000000016 0.0000000000000011

Y 5.3715130383639584 0.0000000000000016 0.0000000000000011

Y 0.0000000000000014 0.0000000000000016 -5.3715130383639558
Y 0.0000000000000014 0.0000000000000016 5.3715130383639575

92
Y 1.6679958970416160 -4.3592073259946993 2.6874744019217460

Y -1.6679958970416133 -4.3592073259946993 2.6874744019217460

Y 1.6679958970416160 -4.3592073259946993 -2.6874744019217496

Y -1.6679958970416133 -4.3592073259946993 -2.6874744019217496

Y 4.3592073259946966 -2.6874744019217496 -1.6679958970416136
Y 4.3592073259946966 -2.6874744019217496 1.6679958970416158

Y -4.3592073259946993 -2.6874744019217496 -1.6679958970416136

Y -4.3592073259946993 -2.6874744019217496 1.6679958970416158

Y 1.6679958970416160 4.3592073259946966 -2.6874744019217496

Y 1.6679958970416160 4.3592073259946966 2.6874744019217460

Y -1.6679958970416133 4.3592073259946966 -2.6874744019217496

Y -1.6679958970416133 4.3592073259946966 2.6874744019217460
Y -2.6874744019217496 1.6679958970416162 -4.3592073259947002

Y 2.6874744019217460 1.6679958970416162 -4.3592073259947002

Y -2.6874744019217496 -1.6679958970416131 -4.3592073259947002

Y 2.6874744019217460 -1.6679958970416131 -4.3592073259947002

Y -4.3592073259946993 2.6874744019217460 1.6679958970416158

Y -4.3592073259946993 2.6874744019217460 -1.6679958970416136

Y -2.6874744019217496 -1.6679958970416131 4.3592073259946957
Y 2.6874744019217460 -1.6679958970416131 4.3592073259946957

Y 2.6874744019217460 1.6679958970416162 4.3592073259946957

Y -2.6874744019217496 1.6679958970416162 4.3592073259946957

Y 4.3592073259946966 2.6874744019217460 -1.6679958970416136

Y 4.3592073259946966 2.6874744019217460 1.6679958970416158

Pt20 Y35 configuration: ∆E tot = 0.00 eV

Pt -0.5833352919100132 -0.0924581950719610 0.3355787238236492

93
Pt -0.4159781329308936 2.5576979199180303 4.2037016525017430

Pt -0.4208890774769996 2.6098486988889902 -3.4207262336848383

Pt 1.2079055854315099 -1.6226464811277426 5.3927419639341982

Pt 1.1527342119572881 -1.1447420898168899 -4.6923692841566682

Pt 1.2222485229011089 1.7831824558662888 -1.1079904472469762
Pt -4.1762915735841881 3.8663519272664684 0.2690980959696871

Pt 2.2238878876963897 -3.5479629743047769 0.4290911477681132

Pt -1.8724207411583407 -2.9212892183545596 -2.7842657405476117

Pt 2.7039082919183972 -0.4580842331046657 3.0266182771878416

Pt 3.4021944566956641 -1.3378450828407606 -2.6030866446414982

Pt -2.5573522245476745 1.0421091273942298 2.3556852957207539

Pt -3.2136989369791706 1.3400458654048881 -2.7341444333059042
Pt 2.9982619731084275 4.0263990627160293 1.7855449398655023

Pt -1.7559713048528767 -5.5445728542699699 -0.1243148603031743

Pt -1.7549798248759438 5.1396471673515256 -0.4684596302553314

Pt -1.3660746811335691 -3.1845692877904717 3.2292037178830451

Pt -3.3331495919625524 -3.2645030608229928 1.2648648535245306

Pt 0.2147278922186373 4.8104776325319119 1.4998698042010592

Pt 4.7290730423055303 0.3097668339557877 0.9615329250719553
Y -3.9842682100502032 -1.1637962774718309 -3.5372244534510515

Y 1.3735702043684854 4.6599276005012280 3.9946593944163946

Y 0.4135718413798150 3.9644663147883041 -5.4735006401490169

Y -1.2768323678428251 -2.5147682837419079 5.8580713496616239

Y -1.2277806901617578 -2.2622693713222044 -5.4531420640544850

Y -2.1947242182669742 4.0663864060571049 2.6021502491403719

Y 1.0129859300697215 -5.9027954561294056 -0.0672977030905402
Y 4.2330456391542794 1.9375090439535416 3.1870218754346342

94
Y 5.7288440054543015 -0.5102459446317411 -1.4074498460633167

Y -3.7026632141403484 -1.4734593824706490 3.3604128625999499

Y -0.7374899883084483 -2.9406851115684032 0.2775751227763823

Y -3.3999079254348317 -0.7139539726725470 -0.0361457900782109

Y 2.2572881868814898 -0.7257747423980465 -0.0705083221898570
Y 0.7700386922079627 0.6799320707538197 -6.6246523343162922

Y 1.4990861628314105 1.1601979556398820 5.5107236796727923

Y 1.5680636503226457 -3.4174309397406462 3.2289406389741786

Y 1.1054526022724145 -3.2416479950212662 -2.7514587078721493

Y -1.4097636344370590 -5.6431930172754923 -2.7671041361853717

Y 4.1810921370536542 -3.7306113649735217 -1.4611732076457231

Y 4.6287828514000005 -2.3365481351101116 1.8377477454542277
Y -3.9776556540878545 -4.0691398646502375 -1.2218804591847066

Y 0.7499279482391878 4.4591580515186156 -1.4409491526430658

Y -2.6917429566675324 4.2679740101989827 -2.9116688808901734

Y -1.8455302546194179 2.3688356215102044 -0.3542465977406930

Y -2.2069505779155980 1.4897196627136076 -5.3202161094524767

Y 2.3534378383616161 1.3176128631804866 -3.6379205432335850

Y -0.6704656556269162 -0.2049970576463327 -2.5712766980049451
Y 3.6454407912154032 -1.9717297299041148 -5.1603719485129469

Y -5.0156071723202809 1.9690344055367146 2.0633118102788317

Y -5.3870531928564356 2.1611237526048934 -1.4328126257574600

Y -0.3753572007307627 -0.5679064030604080 3.2028538356499525

Y 3.8885012473012486 -1.4236001421746947 5.2379599270149955

Y 1.0310583917578093 2.1179631016196638 1.7432912179609505

Y -2.5961925755237729 1.2835970053433132 5.1567434757707398
Y 3.8549968858988377 2.5442621122538394 -0.3786370876000225

95
 Pt20 Y35 configuration: ∆E tot = 1.32 eV
Pt -1.7129198727805806 -2.4063005107674340 6.0540646056261025

Pt 0.3135446508441415 -3.1260464256034548 -6.4559250134577688

Pt 1.8392652827182756 5.9825778175573676 0.1884085332720027
Pt -3.5083972519549018 5.5340909993459091 1.4147899189714324

Pt 4.7200291340400833 -0.7818154575518779 -4.4242601554521404

Pt 3.8634632333033183 -0.8863468261202250 -0.2892271462434131

Pt 1.3367054401283998 -3.8862369897396776 1.6217779885702222

Pt -2.7837496158600326 -4.6394124153912637 2.0020829649190075

Pt 2.1961581030918600 -3.5601251345919338 -2.9442580584129487

Pt -0.4078817779374538 -4.3488502573711374 -1.1352069685330004
Pt -3.7253562808984393 -1.5453311950779642 -0.4863503960656759

Pt -1.0569059318071483 2.9996240714210995 -1.3780147562433862

Pt -0.6021231984507702 4.6703462075189650 3.4872499914234423

Pt -1.4857273173407446 -0.1279252506921693 -4.1764241925380805

Pt -5.0247030604408058 1.7199654493952508 2.2527182555452159

Pt -4.1163468319439636 1.0638478801945650 -1.7020582269302211

Pt -2.7883295248301403 -1.7717440527916961 3.6087278039248121
Pt 3.8775599936152738 -1.0578746335740978 3.8391155260189866

Pt 2.9890751469195571 2.7236158456142210 -2.6182746500252501

Pt 2.7839057209075513 2.4757642736469712 1.9683552457876796

Y 1.8238612631777738 1.3100522498152383 -0.4734235910614489

Y 0.0034850853067647 2.1913379448460462 2.4532812840608518

Y 2.2211247147916131 -0.6325859653443755 -3.3339856812539583

Y -0.4170362012855922 -3.7042829537926374 4.1410390415576508
Y -0.5336102786630308 -2.9298984426424473 -3.7852431440154763

96
Y 3.8129423990438962 4.0904520582090216 -0.1907617355010787

Y -3.7776815832498603 3.3088440256814287 -0.1015651313369188

Y 1.4305714382940300 -2.1611450122342393 -0.6678644870249382

Y -1.3055578135564287 -2.5381450464064153 1.1479493980469717

Y 1.5194727849150951 -0.9395780976687573 2.4549370705415439
Y 5.0664098929407180 0.8863992309455517 -2.1285517593956893

Y -2.8451275184518767 0.3525562109578687 1.6082917040906477

Y -1.3082864761517206 0.0641398909214666 -1.4110085963861667

Y -3.9762127444799242 -1.1212990828372094 -3.3188376703641449

Y -0.1083253544688132 3.3831606853622254 5.7396980320995787

Y 0.4325115074241887 1.9404038175695268 -3.6873525624081083

Y 2.2425595825995774 -5.3942678502374557 -0.7793811418491410
Y -3.1689285202790023 -4.2699688844332639 -0.9179253151318878

Y 4.7980757695480660 0.5713436464445831 1.8491035842410894

Y -4.6169430525176258 0.0910653984449492 4.4580488908718250

Y -0.8943485489711041 5.1202317112348270 0.7044554532633758

Y -0.5963840287951596 -5.9443086800376141 1.1313926187408840

Y -5.9788969552682181 0.1863071534707415 0.0525926406879924

Y 0.2706882064065116 -0.4478654064037266 -6.2843196336786900
Y -0.8784878518322161 -0.1276425117138921 4.9313426037603119

Y 4.6971310202542638 -2.6949019164302634 -2.2217821998231084

Y 3.9958326674476989 -3.0073910484340520 1.6936879154914475

Y -4.7302807488302525 -2.6103324648394133 1.9104756056590377

Y 1.0181718083312576 4.7932874939487826 -2.1415172110051417

Y 2.0864561505813550 4.9859971051105925 2.8443611916080469

Y -2.8097494042611864 2.4652707871251680 -3.5943806099323243
Y 3.5303292805269817 1.6270273086296048 -5.2508580596778405

97
Y 2.8443793615732913 -2.9644067270395547 -5.5727738604257144

Y 2.6700450952498089 1.4526454309392414 4.5705407519165062

Y -3.2254569886743658 3.6356745454170407 3.3430433334769933

Pt20 Y35 configuration: ∆E tot = 2.51 eV

Pt -1.7071971670636532 -4.8991900150878012 -1.6264192068196377

Pt 4.9155243727313875 -1.7549227270252044 -3.2671829120569558

Pt -0.0589280857474657 4.7253441813354913 -3.6371778741735716

Pt -4.5311609499461332 -3.3634131298372116 0.2906625369865753

Pt -2.9174309791493460 1.7683880920990347 2.6434311437692646

Pt -5.7091351236649377 1.4808196527080202 -0.5384231110548449

Pt 5.0076944167502360 2.2622898100333244 2.0068078038156143
Pt 1.3304212803461122 -3.9597891128327527 4.7341815924611685

Pt 3.0704284748160120 3.3788466665395074 -1.8045631745720683

Pt -0.4733772180943221 0.2855056274953627 4.9154882893352712

Pt -5.5403087033478258 -1.3551370472781878 3.5728242896648994

Pt 5.6701325272492626 0.0041425546741347 -1.2027194342528253

Pt 0.4986423668365043 4.3578347520318053 3.2921427945217041

Pt -1.5245204434438155 -0.0209461141614036 -2.8319670180159604
Pt -4.1896105393512686 1.3730834793624249 -4.2220275502499334

Pt 1.5414530722520634 -2.3963458493284913 1.1102623268794392

Pt -1.8434412793653079 0.6158185683737349 -0.0535424168342061

Pt 0.8297357474753922 1.4384631826296237 0.8689687459729901

Pt 4.4752205720404650 -1.6516099107312965 2.3269168839094365

Pt 0.1481070510450830 -2.0912841547953684 -5.8035743731824851

Y -1.8762075307778889 2.8591077396373858 -4.7184356649483270
Y -4.3048906334635335 -0.7270039148217065 -2.3072660112107726

98
Y 6.6713630953877052 -0.1772470386337333 1.2504127536716649

Y 0.9864381427002621 -4.3643258895920711 -0.7887993405823771

Y 2.3006690629933351 3.6616736507906529 -4.5199792453654473

Y -1.1084532817644976 -2.8511796861243015 -3.5350556356516214

Y -0.3026797319467878 -4.0336683047851976 2.5482885278733480
Y -3.3582714039596615 2.2853731490260252 -1.6535522174587691

Y 3.5168951845404188 0.6443218097103449 -2.8270020869864836

Y 3.4184972865705747 0.4563978954984653 0.8065736618045743

Y -2.5810109380124864 -0.5023734000749436 -5.4049748512859672

Y -4.4678277048606354 -0.2347710593129746 1.2092239155053668

Y 0.3116843944903020 2.5874741473020579 -1.8308593005935019

Y 3.2139045088645006 -4.1615337976520062 2.4235051134046439
Y -0.9246899626939066 -2.4263330794605951 5.5181688561299893

Y -3.6608677766291793 -3.1533995921184399 3.0594281862645105

Y 2.5199811409347692 3.7664380018833454 1.0005950777083892

Y -4.7650836712325191 3.2460891591524828 1.3511595736232689

Y -4.2908516593120556 -4.2956008494858731 -2.2807305520704122

Y 5.6091705280867883 2.7366951295669333 -0.7115802366996183

Y -0.8721786409013238 -0.4421942633390004 2.3239371419718986
Y 4.9495235472294636 0.4295255922425800 4.0945961680230649

Y -3.5156712175283857 0.0267689792908217 4.6908832845512469

Y -2.0770652899927207 -2.4702630902007394 -0.2746515139370903

Y 2.4010778295942852 -2.5178608026759042 -3.9420382275100958

Y 0.5711251843172668 0.3522332476397330 -4.7390995752511600

Y -3.0189087821074700 -5.6988529767205849 0.6151596273648371

Y 2.0282803108006413 -1.4555947873847022 3.9802812307497089
Y 1.7299805726914024 5.8007938155372134 -1.8828786975664307

99
Y -1.9312494656296415 5.3971242052047819 -1.8233993792093748

Y -1.1319584418789714 3.4066575140476951 1.2019262148733443

Y -1.4965306825775266 3.0246616795511851 4.6510542004149000

Y 4.1242168369950081 -2.4251968707245082 -0.7028835743201475

Y 0.7280819646268660 -0.8547856291854388 -1.1868710328301586
Y 1.6112578320771569 1.9129508100062729 3.6307742734391226

Pt20 Y35 configuration: ∆E tot = 3.19 eV

Pt 1.2966919548613971 -2.8366447648146909 -1.2008437750872480

Pt -0.9601497977758973 -1.9565197606923168 -4.0773700202652190

Pt 1.3117602957475691 -2.5337576030429605 3.2172885208683710

Pt 0.3017345167309777 2.6295156870456626 -3.1165903264434802
Pt 4.1011647351658320 0.9552017289508926 1.6726867234406715

Pt -1.9139728031234249 2.4912591786570348 -0.9193424336879984

Pt -4.6877371654704039 3.0875853353597740 1.0915501029164423

Pt 4.5529590390171393 -2.0876516387885737 1.6052431846198485

Pt 5.4591038079748486 2.4875712744357767 -1.0813212740532587

Pt 1.8364534835848376 2.9245136510728642 1.2261498078903803

Pt -1.4386528694842191 1.1335864380183103 3.3554287110837375
Pt -2.9175658807365235 -0.5674691738545971 -0.5425049015971265

Pt 1.5176714302733254 0.2409718698297349 -4.1803319391502995

Pt -2.2189373532409462 -4.1013388532958661 1.4456454705610726

Pt -1.1739645646606087 5.8777968748188245 0.9233425842957609

Pt 1.4177835225229041 0.8359407416214250 3.2653240876970182

Pt -0.1340380551760223 1.1279172894866023 0.7307450603810354

Pt -2.9041218140346450 -1.3112383732842239 4.1538694889027354
Pt -0.3623011296615237 -4.1165959002009656 -6.0763517631325090

100
Pt -3.7618109921781491 1.4070871064739299 -4.2683867543281391

Y 2.0734070245718725 -0.9328920303335076 0.8202839916724288

Y -1.5260808232946186 -3.2959639229453104 -1.2660531897017502

Y -0.3155179922708600 -0.0635134172984784 -1.8028927663890211

Y -1.1266379025182944 0.8255937382315927 -5.1326389423112353
Y -2.1771314636654040 -2.1323706950212080 -6.6356835112034922

Y -3.9871491652399627 0.5124501456349461 1.9840619716203922

Y 0.7230660649512188 -4.4322824057235142 1.0840414535150802

Y -3.5138962914537011 -1.1973909388902357 -3.2917079818073698

Y -2.8868709248531079 -2.5382530806996804 6.4948789970819352

Y -4.1617192742188074 -3.5511131983311910 3.3364074577802243

Y 5.4265653310422923 -0.3089538234829772 -0.4558162857159931
Y 3.9644761934328092 4.3796275897388153 0.3078211289489010

Y 3.1233258467292822 -1.5270452837595845 -2.9820196121021705

Y -2.4464988743290643 -4.4848240841671085 -4.2902648259049840

Y 1.1346524285953699 5.2942437766930057 2.3791555392728116

Y 1.2184014630801991 -1.7626340394692455 -6.0814933677219614

Y 2.6873939404182825 1.7509201743205831 -1.5089206634563523

Y -2.2529643718494086 3.5909480645654464 -3.4705623002218196
Y 3.5789447810324382 -0.6802842452378336 3.9740499516660073

Y 3.8316420224866885 -3.7753830647741808 -0.4198961038702281

Y -4.4646770077660687 -2.6957001387409210 -0.0332882397185564

Y -0.0971381849943622 -0.8624274142050116 5.1151415685384372

Y -3.1245946279608452 1.0808701370295570 5.4218405981351649

Y -4.4693123815425704 1.7079286096507449 -1.4268592147730277

Y 6.4020390116828576 2.2852669421677843 1.4575062805540528
Y 3.5368833976598748 -4.1127225344427574 3.1239120059367660

101
Y -1.2002738940642841 -1.4467922449005228 1.7017893287352335

Y -0.8590996319379034 -4.0150998190782872 4.1178756449968965

Y 0.2728270450846448 4.3032288090148141 -0.8427505040111788

Y -3.3950984351490341 4.9277058325546159 -0.5658176547973778

Y -1.9775433626538739 3.4151825785248087 1.9342878846880347
Y 2.0704987738789145 2.6754907372079004 -5.0969359888166359

Y 0.2484414380455098 2.7136682021774376 4.8662424567172211

Y 0.9321012712938757 -4.2704728250986808 -3.5702275340145744

Y 3.4354682154395739 2.9352627612915430 3.5303018717663535

Pt20 Y35 configuration: ∆E tot = 4.41 eV

Pt -3.2764625011005979 -3.9343998987128992 3.2371413863038070
Pt 1.4727486458985177 -2.9449033989837861 -2.0447985612138453

Pt 3.2403513557762320 4.1996207066741889 -3.0898155393506128

Pt -1.4234663167034338 2.6694101472978340 1.9021082157040283

Pt -2.3791181916384474 1.6119559564782453 -3.8241931261407816

Pt 2.3972148222990217 -1.3729802024199655 3.9180112892789598

Pt 5.3951124621283206 2.8753948549635351 0.4704200906023204

Pt -5.7745919483807784 -0.3816814806226640 -2.5979374787683724
Pt 0.8347013351300736 1.8391848956718186 5.0498581567125118

Pt 1.1581000984900809 3.4786753947537385 -4.8353717291543896

Pt -0.9147853393640688 -3.4104897477347680 5.2701994388204527

Pt -0.9791228950624220 -1.7788758802940496 -5.3653329161444274

Pt 1.4786194058966571 6.0461711644741243 1.4087841188043371

Pt -3.0838230395167621 4.2818284790905148 -1.3140020013631470

Pt 3.2941524540393008 -4.4375749904814494 1.5479892409154961
Pt -1.5237035973444686 -5.7905981429583111 -1.2799815716901557

102
Pt 5.5462657030769611 0.7327878122654220 2.2885437715416135

Pt 5.1371481256265419 -0.0390147513266978 -3.1879787476283417

Pt -5.1666667667801782 -0.1510304526643377 3.1381449252476346

Pt -5.4762283672730341 -2.5664376042883297 -0.3204478874200818

Y -0.3599026018149430 -1.4837901216745470 -0.3441540850342111
Y 0.4683706644738403 0.5437010847693234 2.5826121126391985

Y 1.3173260032779390 2.5375711941754457 -2.1844305364776853

Y -0.8918227953733668 -2.6494239645598374 2.6737363358231061

Y -0.6059875836427049 -0.4123452423431788 -3.1027551536130815

Y 3.2849743839725152 4.7470068908459231 -0.2134172421200747

Y -1.6740068786751883 1.8852831113726543 -0.9010380958613318

Y 2.0880246148149926 -2.0754792668780015 1.2385203093837680
Y -3.0043985793142056 -4.0830773467734245 0.2924067747764163

Y 3.1939811170537009 1.3673316774565374 0.8710427947236596

Y 2.7982475420922226 -0.4903811536998345 -1.9220700071417356

Y -2.8772945074879868 0.0619427372865056 1.8005658103577982

Y -3.4326944767758683 -1.0723144871439978 -1.4304607490876851

Y -0.5974500366289528 4.8608607585340557 0.0814614849439226

Y 0.7260518637124018 -4.8438214975262115 0.0087113120531506
Y -6.0808713540045192 0.0751929614989629 0.3182776112790491

Y 5.8757588249741541 -0.2735794984174717 -0.3774670625097396

Y -0.2792583585515891 1.3163068477594984 -5.7312741327249830

Y 0.2624856912048778 -0.9763922557010015 5.6568879053495502

Y 1.8029155946944468 -4.0101519312577150 4.1421372939558010

Y -1.1407583427197994 -3.6840953255176738 -3.0212843500024382

Y 4.0812782125563123 -3.5319522060781217 -0.9536035026628251
Y 4.9021111858500861 -1.9164389350974427 2.6707381708718927

103
Y -5.5280325742254259 -2.7412301176075737 2.3648427098981513

Y 1.1399536443860872 3.7755115452158461 2.8979007373341998

Y -1.3869674510482499 4.1319406066853714 -3.6897359941834216

Y 3.1921401767739619 1.4397781579580868 -4.7721770872358062

Y -3.6850471658156856 -0.5823205975466444 -4.7443067673301655
Y 1.7188308560929582 -2.0518978561428622 -4.7812999450765776

Y -4.0190373175730354 3.2421060002573117 1.0965997520168014

Y -4.7376194096854078 2.1390411757537726 -2.4432307683261589

Y -3.2784776710963186 -1.6706766035667144 4.8539094456393128

Y 3.5543854503429984 1.0467322879371552 4.3250429821043426

Y -1.9020303304828750 1.9180049625817837 4.5351080309761658

Y 5.1183761634451175 2.5340135462618636 -2.1691371697953752

Pt20 Y35 configuration: ∆E tot = 5.79 eV

Pt -3.0947603077996257 -3.9739358331938628 3.1111675548426589

Pt 1.6357182824332079 -3.3067733534301484 -2.2770217762428393

Pt 3.0600751897589693 4.0245623634902348 -3.0697160180746090

Pt -1.6565868420419030 3.3325185872806160 2.2986538849515163

Pt -1.8773007058730269 1.1649015323581382 -3.0363872066457489
Pt 1.8768226178199694 -1.1454027300307088 3.0156998327397186

Pt 5.2642934820460949 2.6583572017578043 0.4626630080225736

Pt -5.4551012962178946 -0.5413986789304019 -2.3663981473716005

Pt 0.8291196326880159 2.0535016885181014 5.2448076144452598

Pt 0.9993923024494837 3.3152000369549923 -4.8377896953910229

Pt -0.9657944173274082 -3.2942250593290772 4.8877880141967625

Pt -0.8546189652534155 -2.0330316796315011 -5.2908197237493049
Pt 1.5380948722354841 6.2043610962179319 1.3948387062913377

104
Pt -3.1922989802417705 4.4991862118779258 -1.2635375855227291

Pt 3.2519397196012374 -4.5838994145596281 1.3102138509696155

Pt -1.5789515309562063 -6.1587636629646809 -1.3785670495959514

Pt 5.4478943772399058 0.5603289170357699 2.3222461668020831

Pt 5.4054535342445496 0.3115162072300446 -3.2438590236532701
Pt -5.3868883550034807 -0.2934430283459293 3.2232830166257775

Pt -5.2728777309960391 -2.6243894987870351 -0.4498342280973515

Y 0.0019476306194555 -0.1953916190044185 0.0161801442890542

Y 0.2328805749458709 1.1854477211561807 2.7185015431965818

Y 1.1319748268729863 2.2401420842918705 -2.2428943644289721

Y -1.0764240860474568 -2.2990021811161392 2.2995228021474610

Y -0.2082871534405186 -1.0965961267522772 -2.8363856114282884
Y 2.9715215307059379 4.4297666205622166 -0.1369679426659702

Y -1.7192113996767973 2.3086802234464261 -0.4313891845065052

Y 1.8595944048963251 -2.4313913416918260 0.4879167086139622

Y -2.9861519212492906 -4.3733665391709824 0.1799984734044647

Y 3.0797134299834052 1.0413057941104376 0.8874792970265245

Y 3.0890586188557130 -0.6493829512888853 -2.1785585538439749

Y -3.0714269828041481 0.6187537596610559 2.1365749212545921
Y -3.0981670054761743 -1.0240059804541179 -0.9679131648947564

Y -0.7600944205640563 5.2939903528935801 0.2716325644596765

Y 0.7282430356697185 -5.3057050744598468 -0.2560476337225805

Y -6.0386643528840898 0.0641676727319884 0.4169434336818634

Y 6.0127617249778007 -0.0691412366244280 -0.4383955631922764

Y -0.1925790240426812 0.9221829455349753 -5.4124429612901190

Y 0.1917502105948155 -0.8585175122720161 5.3602091268943957
Y 1.5912111084519160 -3.8668368050284960 3.6180302062640548

105
Y -1.0655308072567380 -4.1659651433352831 -3.1425758742930778

Y 4.2006640245486269 -3.8265420277759854 -1.2196182537658957

Y 4.5653154104887337 -2.0242955851741535 2.2638136597291965

Y -5.3333616818910032 -2.8244991497119343 2.2114180926709253

Y 1.0021779387060341 4.2617674359149822 3.2109516796521609
Y -1.5329613757456271 3.8879151900429680 -3.5430644161459846

Y 3.3269072730304630 1.6115077528541002 -4.7860358125791773

Y -3.3450245560104106 -0.8379124435573904 -4.3238703407886874

Y 1.8826988253081189 -2.4251098900892072 -4.9360635968769948

Y -4.2142493801954091 3.7457529714623576 1.1950656499920294

Y -4.5334457638698344 2.0409412200581980 -2.2353815096129681

Y -3.3316478404145791 -1.6067113810471227 4.7784715671253384
Y 3.3129157365100546 0.9018820921187423 4.2567671313435369

Y -1.9186805368635789 2.3325045409842589 4.9194119450831826

Y 5.2709471044602676 2.8244937072115870 -2.1987153583356545

Pt20 Y35 configuration: ∆E tot = 7.72 eV

Pt 1.3665167975531474 -4.6641024699136437 -2.1665642203233744

Pt 0.1656264636582462 -3.7628619471335032 0.2128635219056813
Pt 1.7033941994312820 -4.3587223368275154 2.5617960739767400

Pt -2.4945130794406620 -2.5535969067061455 5.0787802041253283

Pt 1.1750232244453600 3.1781230763177484 -0.7024437492155592

Pt -5.3162306932731687 2.6503240939350787 1.0375466211601538

Pt -2.1688592216931677 -1.1895204460545941 -2.7228218677002594

Pt -0.1545868477612217 4.2731445207441805 1.6496385560148461

Pt 4.1373701490498602 3.2080198032080358 -0.6776416801672603
Pt -0.8903214026228351 3.0103761611799995 -4.4124649827636979

106
Pt 4.0447238404217805 -1.4927076594178121 0.8309538376806230

Pt -2.9310932222592379 -4.0590204698749606 0.2095649910603527

Pt -1.0205453290881130 -3.1383761514242696 2.6462478310930231

Pt 1.0040630428581179 -2.5874487174138014 4.6542448340651665

Pt 4.4806407432469273 4.7065748970107535 -2.8606791593876859
Pt -1.5474273159630800 3.3172303386639950 -1.0410588154407150

Pt -5.5470523005281542 2.7075753610240074 -1.7100718939778008

Pt -2.8172177478948135 1.3265944615219096 2.9478871757338134

Pt 3.3649064130488551 2.2180821214014474 -5.2615668884290443

Pt 1.4752557578287742 1.1372076786117162 3.2217981926834751

Y -3.8003356063978138 -2.2336994470026994 -4.5442685408437349

Y -0.3431787253498241 1.1290031954612223 -2.4973074844482919
Y -3.4089320604169777 3.6925838616615598 -3.0488746865311138

Y 0.7875585862882769 1.6636432635464837 -6.0372960227701071

Y -2.5732792763341599 0.8646290658118924 -5.0745569123121328

Y -5.1976851073478212 0.0131721320366701 1.8963082049493627

Y 1.4101307544058850 -1.5939454647868940 1.7930738678524496

Y 2.0349854145509556 3.7265770844264123 -3.3306526829046113

Y 2.7425154369267575 0.8458173429109636 -0.5987624500102392
Y -5.5548282206294468 0.6312255513263875 -3.3988621282797236

Y -3.8155570970132850 -3.1166161084319324 2.6883112169002477

Y 5.9882699358511688 1.5171681444438203 0.2928627299034273

Y 5.0422756005590150 -1.4009053259399327 -1.7782445163406559

Y -2.9364513901985894 4.0965096422926575 1.1706650608575626

Y -0.2268926909585604 -1.6906210789219891 -4.8291524906770800

Y 6.5154226795240433 -1.8608328664561160 1.5998471066936939
Y 5.2174042642744807 2.1615827123544800 -3.1398447227154214

107
Y -0.3718285228086401 1.5747215161550905 1.0298887482968007

Y -0.9856269257761857 -0.5623761604564751 3.8897431028775720

Y 4.2104279002190124 0.3745839761987214 2.9500156759972191

Y -4.5596230441308476 -2.2549945655512431 -1.0920789745185204

Y -0.5237333501302389 -2.4250116657719936 6.8723169392920971
Y -4.8753876580895037 2.8763840085892465 3.7223275068767769

Y -1.6869483111424013 -1.5861027572534541 0.3394360990063537

Y 3.0669237790904100 -3.7899648077178831 -3.9212825068478536

Y -3.4833257901825943 1.2200027014304453 -0.7489678226811108

Y 2.9294313409781623 -0.2866726248368820 -4.2635490057471905

Y 2.5906262977389565 3.4125028198920364 1.7795245131020154

Y 3.6947192633187469 -3.1008930160570198 3.8001138089617092
Y 1.9968030541058739 -0.2494953869377880 5.5715753864285213

Y -0.6734168428835602 2.9814108731375728 3.9947876454019133

Y -1.5028799858794089 -4.0082256563803575 -2.1621092269568147

Y 3.0969026481889395 -4.2024336891134730 0.2024060523724764

Y 1.2701012322948615 -1.9781367934507976 -1.7182527803433740

Y -4.1042610536635795 -0.3674858854613560 5.0948507070639648

Pt20 Y35 configuration: ∆E tot = 10.33 eV

Pt 0.8235370808140945 2.7236544274039622 -5.1374393414195154

Pt -1.5350454955391046 -2.4003167727514358 -2.7732173371776221

Pt -2.6272490613973614 2.4224470909438867 -1.8146031340505828

Pt -4.5946902875540294 -2.4932484513636051 0.1242820590203702

Pt -0.6252736490520134 -0.5471607565084148 0.9041321429822030

Pt -5.2796704322763839 -1.6308338917481455 -2.3981458572305931
Pt 4.9692253136532578 3.2354187381613575 -1.9630854608968675

108
Pt -2.2387788636126378 -0.4565385847333346 5.0109781808793414

Pt 0.5267311243730126 5.3731080097584689 0.6454747065791649

Pt 3.5164913808153462 2.5115045491917320 -4.1786518877582175

Pt -4.5407391083144963 0.8732535876982009 -2.8412062753025178

Pt -2.6798422388818364 1.9077152131276094 -4.5251221127190009
Pt -5.1686805003325977 0.3508817976876167 0.0597925337377990

Pt -3.0137838263015584 -3.1906296497764770 3.5886524512559741

Pt 3.0072565682705736 2.2338667821699336 1.1962150260367068

Pt -3.7302078802461724 1.6487112727817581 3.6346609407168793

Pt 1.3347191952462452 3.3440690185575606 -2.5044700266525077

Pt -1.8931405302174222 4.6237729638437735 -0.5056870504531711

Pt -1.3517407463655169 3.8928056318270126 2.1228738473234423
Pt 1.6300361585711571 1.0192242008438108 4.0216806149687407

Y 2.9263776985782268 1.1950019790637545 -1.6934252045274485

Y 3.2459882999109428 -4.2649688989417225 -1.0028322883481484

Y -1.8667958117161079 -3.1891988754365843 0.6264266199791425

Y 3.4889547283592108 -1.9783765647672666 -3.4669337743150908

Y 5.7569320370196353 -0.6555531685685095 2.5895959188820163

Y 4.1319629185492888 2.1565583764826548 3.6823067161473717
Y 1.5098082237573900 -4.2335585838674419 4.8289514866114560

Y 0.1675393823682358 0.1197120858092228 6.1783184439946988

Y 5.6835676094640091 2.0555707487131643 0.3070948839615760

Y -0.1798764331452758 -4.7518223409696319 -2.1324462340523893

Y -1.0691179784591518 1.5352045048450469 -6.5779259182470504

Y 5.6857289463752876 1.0626054944611516 -3.5170240560887325

Y -1.4022170242503988 -5.3284862063179173 3.3947569734133380
Y -3.4620924231566108 -0.9305079683438285 -4.4673506576773150

109
Y -0.4100441947234397 0.9343390060117339 -3.3258301697587078

Y -0.3675439520886293 -1.9284059847840247 3.4334498903999804

Y -1.1468658894584176 4.2808702711050231 -3.2006032787710370

Y 1.1833421464978899 -4.2553581938949252 1.4295703669901461

Y -2.0343704150059545 -2.9308948245558883 6.1332942096623633
Y -3.7065359139749101 2.5602435093280991 0.9387478418040937

Y -3.9343971566270635 -3.8559680612060876 -2.1961480099689505

Y 2.8490909690043575 4.5548596877798504 -0.4110745398727055

Y -0.0903397591636473 2.5596275966348538 -0.1209674795108710

Y -4.0284215777130639 -0.7362085723776993 2.3915696889438660

Y 3.1281186326467187 -1.1994456314066007 4.8123214448029774

Y 4.1136751737304609 -3.3964893595273735 2.3643627324468932
Y -1.0868704033720822 1.3717098319070042 3.0932263506377335

Y -2.8015275664295598 -0.3783628212271849 -1.0466483385279719

Y 0.1988706329495193 -2.1745031972849644 -4.8272953159841965

Y 2.3918866717175264 0.4847230333485718 -5.4789679008897778

Y -4.8078022623367476 -4.3907621706911488 1.9566526188142153

Y 2.2327150702183118 -0.4777102204618940 1.6081974395935228

Y 4.9885753154030175 -1.4662704844098382 -0.5599271543278951
Y 0.8810776514513137 -1.7666565484037307 -1.2468661506187162

Y 1.3014524519671640 3.9767773748388486 2.8363088245615868

Pt20 Y35 configuration: ∆E tot = 12.61 eV

Pt -0.0000000000000062 2.7045006480856948 -5.4989155807492809

Pt -0.0000000000000062 -2.7045006480857263 -5.4989155807492809

Pt 3.3110455326675794 4.7420173864000787 -1.2962207249961626
Pt -3.3110455326675980 4.7420173864000787 -1.2962207249961626

110
Pt 3.3110455326675794 -4.7420173864003132 -1.2962207249961626

Pt -3.3110455326675980 -4.7420173864003132 -1.2962207249961626

Pt -0.0000000000000062 4.9996649715598940 -0.7339508519905947

Pt -0.0000000000000062 -4.9996649715599197 -0.7339508519905947

Pt 1.5154931978826411 -4.0110587748198299 3.2640604625818890
Pt -1.5154931978826598 -4.0110587748198299 3.2640604625818890

Pt 3.1739886895136848 -2.2085672714576599 -2.2323310540499373

Pt -3.1739886895136999 -2.2085672714576599 -2.2323310540499373

Pt 5.3540981644618988 -1.7064612162735082 1.8803632698070727

Pt -5.3540981644619112 -1.7064612162735082 1.8803632698070727

Pt 3.1739886895136848 2.2085672714576314 -2.2323310540499373

Pt 1.5154931978826411 4.0110587748198006 3.2640604625818890
Pt -3.1739886895136999 2.2085672714576314 -2.2323310540499373

Pt -1.5154931978826598 4.0110587748198006 3.2640604625818890

Pt -5.3540981644619112 1.7064612162736814 1.8803632698070727

Pt 5.3540981644618988 1.7064612162736814 1.8803632698070727

Y -0.0000000000000062 -0.0000000000000143 0.2184214612467986

Y -0.0000000000000062 1.6917091575198795 2.8571771655686078

Y -0.0000000000000062 3.1836724034779613 -2.7075021320902293
Y -0.0000000000000062 -1.6917091575197032 2.8571771655686078

Y -0.0000000000000062 -3.1836724034777908 -2.7075021320902293

Y 1.8418619233347080 3.3384093059186482 0.4276789568262539

Y -1.8418619233345215 3.3384093059186482 0.4276789568262539

Y 1.8418619233347080 -3.3384093059186735 0.4276789568262539

Y -1.8418619233345215 -3.3384093059186735 0.4276789568262539

Y 3.5784776443007624 -0.0000000000000143 0.6118588221193327
Y 1.6154161527869806 -0.0000000000000143 -2.4831738847151001

111
Y -3.5784776443007837 -0.0000000000000143 0.6118588221193327

Y -1.6154161527869961 -0.0000000000000143 -2.4831738847151001

Y -4.8886946557271083 -0.0000000000000143 -2.6509751579795866

Y -0.0000000000000062 3.5922442433672699 5.4530235775424796

Y -0.0000000000000062 -3.5922442433672983 5.4530235775424796
Y 6.1971227094695474 -0.0000000000000143 3.8754280198504838

Y 4.8886946557268942 -0.0000000000000143 -2.6509751579795866

Y -6.1971227094697587 -0.0000000000000143 3.8754280198504838

Y -7.0557160058601056 -0.0000000000000143 0.5447427186127917

Y 7.0557160058600870 -0.0000000000000143 0.5447427186127917

Y -0.0000000000000062 -0.0000000000000143 -5.7913383425772045

Y -0.0000000000000062 -0.0000000000000143 5.6492175289893849
Y 5.2887265803593291 -3.1814969608825101 -0.5399713803826726

Y -5.2887265803591426 -3.1814969608825101 -0.5399713803826726

Y -2.6834109063544265 2.0337793806921254 -4.9156594590289364

Y 2.6834109063544140 2.0337793806921254 -4.9156594590289364

Y -2.6834109063544265 -2.0337793806919549 -4.9156594590289364

Y 2.6834109063544140 -2.0337793806919549 -4.9156594590289364

Y -5.2887265803591426 3.1814969608824817 -0.5399713803826726
Y -3.1696937494932529 -1.9145780791283078 3.7591484192432967

Y 3.1696937494932405 -1.9145780791283078 3.7591484192432967

Y 3.1696937494932405 1.9145780791282727 3.7591484192432967

Y -3.1696937494932529 1.9145780791282727 3.7591484192432967

Y 5.2887265803593291 3.1814969608824817 -0.5399713803826726

Pt20 Y35 configuration: ∆E tot = 16.48 eV

Pt -5.4573454516485693 1.3610214951736863 -3.7896824546853463

112
Pt -2.7328995349707945 -4.4934383625767156 0.1423377668294634

Pt 2.4213885814836438 0.0404026314830152 5.0412895349627220

Pt -0.6227902116322487 -4.4674152704464580 -1.3758700224461329

Pt -3.6615844484464430 2.1523564823741541 0.4825354205448912

Pt 0.8245847057539556 -2.9949213816459510 -6.2234617863763022
Pt -0.1381115299999872 0.4699867581017921 4.3933844709596306

Pt 2.2311757264722316 -5.1170814027872256 2.4074863807522990

Pt -1.2694355636679784 -3.7485849991545690 4.1588216010591053

Pt 1.6732577809723199 -3.3800040771970776 -2.1956071100120669

Pt -2.9075555638460582 -2.8732101645577499 -2.3905736501167025

Pt 4.0983737496638533 -2.1742173177943274 -1.6424207993733759

Pt 3.9764300128419370 -1.6511436955856407 2.5641546757652058
Pt -4.4162764046573040 -2.3374225191924962 -0.0250135465894772

Pt -2.8904590438953681 -2.6752972528623573 2.2054704016082520

Pt -1.4999902826289711 -0.5210439394023750 -3.1791803859415042

Pt -0.1217225847632395 -1.8394216631855780 2.2521244698025993

Pt 0.7429352259833363 -5.3278701463403655 4.6250428070248164

Pt -4.2647312737079570 0.8017494214161013 4.4201208070472031

Pt 1.5862785565077451 -5.3435184328993639 -0.1881340033953159
Y -2.0852311348647374 2.0502230832956152 5.4928840090678390

Y 0.1592446613996389 3.2423414137846369 -6.3344095151792947

Y 0.2571046035112483 5.6778861195274368 -1.0271605570232234

Y 0.2542578667243902 -0.4450683099019493 -5.5535794977818718

Y 2.1156915257636095 4.5890490930020560 -3.5508565735849764

Y 1.1234172666729811 4.8272667515052365 2.0252682334515666

Y -1.6167674166072590 4.5509358663910291 -3.4207809301696335
Y -1.6053702154169691 5.0641090386206695 3.9507514760222389

113
Y -2.8193860365322854 1.5051875194960356 -4.5895648850191515

Y 3.1713961475199781 1.4624848442258698 -4.8548171723016660

Y 2.9057123111304648 -2.7195527515779307 -4.5146582681515275

Y -4.3697520203427844 3.1121151005368524 2.9744106384387923

Y -4.6922977744867707 3.1137265270886232 -1.9473660160906920
Y 4.8252906374338096 0.3621183375401357 4.1021800164263027

Y 1.5934985222269769 2.6977512994087203 4.6079123626221650

Y -2.3106438025843445 -1.3073653801596892 4.4942061228278716

Y 4.5541511746856500 2.5746525581811088 -1.8915213354495419

Y 4.0299036136461126 3.0108706512350096 1.7613679636774657

Y 4.8491967780047487 -0.2283409209030481 0.3141192766228071

Y 3.4605310670277332 5.5467211170568840 -0.5020301260863907
Y -2.3691540140795730 4.6868183295632306 0.6197152018480291

Y 5.4201408236200423 -0.4893936257770325 -3.1077842287145367

Y -1.4439935066033402 -1.9512394767410501 -0.2739230321633679

Y -1.1366740729076141 1.9283212257359301 2.2285015424151844

Y 0.2819100255950732 1.9674475789136980 -3.5721797995646387

Y 1.6091367463194495 -2.8647088256088091 4.1857170209519285

Y -0.6266780312930650 -3.3211592959271359 -3.8439034694133491
Y 1.6330745065384236 2.7236499768440035 -0.4793586665404659

Y -1.5560513231948236 1.7226260718991668 -1.2056576331505120

Y 2.2581726861951439 -2.9580946743877101 0.6831370525575554

Y -0.4621255065134109 -4.8814696393527770 1.7651767334516792

Y 1.8488310737488713 0.1566049771556261 2.1875249197412776

Y 1.9168876818192493 -0.4805391446097510 -2.0947798633684940

Y -4.3939145978001379 -0.3160220044924252 1.7231015960760887
Y -4.3510327121705847 -0.4908795944887626 -2.0344671738654156

114
 Pt28 Y27 configuration: ∆E tot = 0.00 eV
Pt -0.3124475925170893 -0.4010313499512123 -0.6357867489803949

Pt 2.9269855178583715 2.6893250632427672 -0.2942230736196126

Pt -2.1750766399101087 2.4030802080712275 -0.2869802408697110
Pt 1.3319323812879240 -2.8165683404392658 -0.3645034175171572

Pt -2.1345769800670249 -2.5127718071607785 -0.0904969477996852

Pt 2.4449151057816039 -0.7453917845145327 1.6327094485229015

Pt -2.4916501321520830 -0.0266866449056714 1.2604892108543690

Pt -4.9104225582186007 0.8623148905183696 -3.4523549301300194

Pt 0.4706676551682434 3.5248398840672954 3.4160656601783734

Pt -0.1626487670130360 -1.1695189759546689 4.9267922047315533
Pt 1.0822997261199601 -3.1846554789976920 -4.7911962748801242

Pt -4.1284447917983442 4.6201358871163931 0.5075339902372106

Pt 5.1303614396680191 -4.3126977659833026 -1.4017117181269152

Pt 5.0247104958017212 -1.4045553097466390 2.7600159167341771

Pt 3.9957260176117484 -0.6817534899760208 -3.3769876495409483

Pt -5.1943340242795077 -1.6940707151969512 -2.1467048051542670

Pt -5.5624801184538875 -0.1773756305899449 3.1557003069239564
Pt -1.4219897795049485 -5.4487851610613527 -2.1763278674355511

Pt 5.1057867942371091 -0.4053042746038346 0.1202146536924766

Pt -1.2783417331276743 -0.1982165005564435 -3.9155252492424713

Pt 2.6863880239267095 1.8162649779134268 -3.1187926356702298

Pt 3.1258561929583850 3.2369192557955793 3.8923825839271786

Pt 1.7454654701244738 0.7876535445914196 3.8738700559308490

Pt 0.3501190573700322 4.2126229125704819 -0.1245799056737778
Pt -0.5817059774277665 4.1099285421484355 -3.8509484875512139

115
Pt 1.3610169194750585 -3.7942641233283179 2.5007870207066065

Pt -2.4720306385795752 -3.2043072642752963 2.5134271705269708

Pt -1.8250317133450622 1.8917297005815226 3.0831007046670131

Y -2.6764417858743794 2.1907492202290784 -4.3827922803512269

Y -0.3185939821620102 1.6638154565301571 5.3484244312905656
Y -0.7071254854231784 -3.8270972033562214 4.4112208186006274

Y -2.9584914284511914 -0.7315400692909494 3.9855028352719510

Y 2.4870530809896869 -0.2431562924296232 -1.1064160258776969

Y -2.9802775927409257 -0.1125420585272578 -1.5899560880255177

Y 1.9751428347374045 4.4746309627199770 -2.3365481231842540

Y -0.5898539369624113 -4.7716629974698597 0.3616247422629392

Y 2.5187708612968027 4.6276579048349946 1.6830471083089862
Y 2.9056079740695999 -3.3483623169756513 -2.7488052973819905

Y 5.9985923061129496 -1.8582138802634327 -1.9328467165507652

Y 3.8875423162499052 -3.1227163155393849 0.8426681888385664

Y -3.6844220180630547 -3.9982907078735939 -1.7167484740955861

Y -4.7366189483548533 -1.6595659630173702 1.0166791789916123

Y -1.9595374853923104 4.8659472139279876 -1.6436601968522082

Y -1.6622218669378643 4.4832927820495803 1.8784773322817439
Y -3.7136094430958639 -1.4667068810051409 -4.5006970261992691

Y 0.5348954557351925 1.6579889364650657 1.2892034186178900

Y -0.0521020385670087 1.8846701480611772 -2.2547151769099689

Y -0.1746730493683026 -1.5326744545399638 2.0864729881330937

Y -0.5669871554153206 -2.7890887470699242 -2.5914057992914796

Y 1.4642741936885324 -0.5301740174960511 -4.7170167642967140

Y -4.3314741748017731 2.0178300134005460 1.9192546824819530
Y -4.7374968198299259 2.8745620818858315 -1.5151929421793320

116
Y 2.6732726263207800 -1.8455146393865014 4.1963674913019462

Y 5.1364502660721598 1.6798788579398798 -1.7563516195235354

Y 4.1372759451727026 1.4394227168216627 2.1582403388961153

Pt28 Y27 configuration: ∆E tot = 1.59 eV

Pt 0.0146791972896722 2.7748962257215450 0.7982711502974883

Pt 0.3409157241723090 -4.0927717010827003 0.2397229029931255

Pt -0.9264081497005417 0.0672089543680871 -3.6335696420747730

Pt 0.9179973949051509 -3.1546160262697751 3.9261750309291243

Pt 0.2889956371935564 3.6550828741532162 -4.6196988330699220

Pt 1.4454696227068582 6.0909845523521646 0.0214953462936455

Pt -1.6840502191968638 -5.9706925910137461 0.0974662704686649
Pt 5.2591555364038864 -2.1314332175273329 2.3896788004436238

Pt 6.1558856031473832 0.2775976704180442 -0.8020622525185314

Pt -4.7488111795192447 0.9430776741988532 -0.3810181875112676

Pt 0.5070236652340400 -0.2773590509262527 4.0246514361095533

Pt 1.4997497179274646 -3.8396893252071318 -3.1973261531273365

Pt 3.0481464349873577 -2.2715963799350587 -1.2855017321554969

Pt 4.7029399943136996 -4.7544390983815177 0.9141969360342451
Pt -4.7262614743818476 -2.8684675615858031 -2.2758413748016451

Pt -4.0063661239765969 -1.4256467189640252 1.4942702304645399

Pt -1.5954932421498715 4.4815173004220386 -2.6683238497194464

Pt -1.5553143909789289 4.8084761472570285 2.7549448380269550

Pt -2.0504195477858516 -2.7018832107466575 -2.8321989157006535

Pt 2.0209249870723189 -1.1730727935956922 -3.7015305287676594

Pt -3.0436965614334146 3.0203971611622884 1.2122736953435391
Pt -4.7549294372949564 2.0285357580694012 -3.9439263120416954

117
Pt -2.7247226121228443 -3.2823174541393425 3.0590553489100718

Pt 3.0866957531359893 -0.7194218766248360 3.3412464912406645

Pt -2.4961869762761482 -0.2567449011380636 3.4368918079006114

Pt 2.4921720574122013 2.9669560625295603 -2.8747982527588838

Pt 3.3025244404680536 2.6704156210393299 2.3448438003510677
Pt 0.4161264526255052 3.7817847735761201 5.1358973948051556

Y 1.6497934785866932 0.6522611343540098 1.4089383265376221

Y -1.0890113380919302 2.1108704426451772 3.5072710308618360

Y -0.0363308953418469 2.2403359209850451 -1.9961578098727342

Y -0.6218088791853719 -1.8802230695516173 2.0029060161220111

Y 0.2841032639301839 -1.6985499432409825 -1.5028430839753211

Y 2.7353675684556724 3.6523819681465359 -0.2057605726014990
Y -3.9157767622219386 3.2706141500530230 -1.6187545916579615

Y 2.7071208740127179 -2.9639458584853116 1.5969808775131000

Y -2.9508141736366773 -3.5228393540946166 -0.1192163080703012

Y 5.1221509289877103 0.5255653107891994 1.7074103987589029

Y 3.6275616363867136 0.4490844065636418 -1.8991769014752504

Y -2.1175229170147669 0.5577048892813669 0.3763734083994227

Y -3.7305046785373652 -0.2687788875279940 -2.7981916104951403
Y -5.9688664142656425 -1.5488619089696889 -0.3574241678277931

Y -1.3240890614735288 -2.1860978472344166 5.1836235197885152

Y -0.2511000183917092 -2.3627117260296413 -4.8711746660553477

Y -1.2054948021124017 5.1593419424111140 0.0456243056324549

Y 2.8233255774419623 -5.0417396368782761 -1.0144399237551915

Y -4.7562144691265775 1.1713241153607439 2.3891612045032873

Y -0.7420177021417557 -5.0889753571345029 -2.3422967021546710
Y 5.5646518541214318 -2.3810980285530969 -0.3140538328222032

118
Y -0.7250874887707633 -5.0852917673613760 2.7014743747901679

Y -2.1987161834925559 2.3553535925853120 -4.7081514275050580

Y 1.4238809126379106 1.1807626705129679 -4.9005978213260537

Y 1.0579514710154250 5.5341611373030259 -2.6825638544303145

Y 1.1978405107349768 4.7027659051226500 2.7045031657555731
Y 2.2528654033150919 1.8198069308179630 4.7312511989971853

Pt28 Y27 configuration: ∆E tot = 2.43 eV

Pt -0.2740441309595504 0.1536354773022979 0.3046112597437222

Pt -0.0735045114828139 1.4868132391933295 2.7824656198073412

Pt 2.5434217740568315 1.1862796280955206 -2.6866453334546994

Pt -0.7620541441696955 -1.5592949976594477 2.5736147615639973
Pt 0.8476410996040256 -1.0380413680898053 -2.0130957325079311

Pt 0.7299457609807189 3.1483227924333455 0.4957822370262434

Pt -1.9052512004235351 2.2853382511823161 0.4595018456825783

Pt 1.6146252796908109 -1.8063122917508012 0.6808102605992687

Pt -4.2121627328445639 -2.7938180503711014 -0.1255782984795196

Pt 2.3338173499698303 0.9588112880445514 1.0851129366187793

Pt 3.5300996161365341 -1.7443651397378195 -3.0150995645475445
Pt -3.0841274619970229 -0.0101778210977216 1.8535059581839641

Pt -2.9950437744103184 -0.0182547905205170 -0.9027793269868181

Pt -2.8963767916142076 0.8330678946496837 -3.5670770659465476

Pt -2.2121670917691101 2.8942993047560130 4.6306502230059534

Pt 1.8656291807758125 -3.3803285861478458 4.6137745912900519

Pt 1.1173602330053083 -3.0662010253598280 -4.1323800899771719

Pt -3.4515645214208717 4.6201022870724309 0.6726782370335138
Pt -0.2449992144582527 -5.0925704366962297 -0.5039528962121438

119
Pt -3.2292322899285817 -2.2987275557444646 5.4776892740923948

Pt -2.8453790174752727 -3.5571812345998635 -2.5033992773654163

Pt 5.8040153839964912 1.2365619663446046 -0.6023685683659388

Pt -1.5827403374071254 -4.2202064989223356 1.9235891771578155

Pt -0.5595373106499337 1.2941892309996679 -4.9495663386510458
Pt 4.2355394543658118 -0.7439949315028194 -5.9737456192397431

Pt 1.1906109706804220 4.0504481967366752 -2.0490284035048272

Pt 1.2256690224437008 5.7864951926493351 3.1217118166805684

Pt 3.2482337592427544 1.4346372367359852 4.6323826111116624

Y -1.3339071830557268 4.7669222874716066 -1.1169235333727328

Y -1.2741803425793472 -2.4031835920577662 -0.3512860488901837

Y 1.7107679581929995 -0.3691790460165378 -4.9096684795672694
Y 1.2394601214642094 -4.0947279408016612 2.0638646442136457

Y 1.5519163139059435 3.1050760562344513 -4.5497953006336314

Y 1.5834877419164306 5.7287372671545853 0.4246259245559855

Y -3.0875384120932670 -5.3401979176157077 -0.1795454940557051

Y 4.8438219507571221 1.1463012462748907 2.1690223197855829

Y 5.0250299468430457 0.4988509685730083 -3.5614027964161470

Y -5.3742876564766098 -0.3544892629246347 0.5359160623922710
Y 0.5031819577700645 2.2497833417398412 5.2912273288381027

Y -0.6738177436028978 -4.9679801604546601 -3.2730220920050779

Y 1.9715933170823152 -3.6098576513171623 -1.4909647929208589

Y 3.9275052997472724 -0.7432537420948993 -0.4867947200268986

Y -4.5597039166302240 -1.3358585237437175 -2.7032133471486834

Y -3.6779875037389078 -2.6214133141029943 2.7459320911661016

Y -0.4334945536590859 1.5425756123473395 -2.1526851211964737
Y -1.0459194627374468 4.3558323673743171 2.4716875048152196

120
Y -1.3180962075267366 -1.5026687550900764 -3.8301892150535779

Y 3.7222544984221102 -3.2565102983690122 -5.1843897830846917

Y -3.9854066415359211 2.5150149801941155 2.4402381199717023

Y -4.0253844342403386 2.4954019477861533 -1.3243542914314530

Y -0.8584680084635214 -3.3467846514821162 4.6676180598194321
Y 1.8024358452366613 -0.7318770697483756 3.4714880442619198

Y -2.1253798937992125 0.0732826657008848 4.4706317680674488

Y 3.5357326835358265 2.8543231898003789 -0.7348032805575404

Y 2.3979599713270496 3.3063527371725940 2.8136221341149992

Pt28 Y27 configuration: ∆E tot = 3.13 eV

Pt -1.6945569777364016 -5.1718982548651971 -1.4932207895546377
Pt 4.0478923647542828 -0.7389475093168060 -4.1505455606654227

Pt 0.0293373388327688 1.8563054914372510 -2.5111811241804789

Pt -5.0368063916149737 -3.2407086592080301 -1.1634906335213149

Pt -1.2389541311564685 2.7023647600471650 4.6929757986368710

Pt -5.4473558590100541 1.3727832555024475 -1.4453336028047836

Pt 4.9205476053975801 2.5658772868110953 1.3775167230541552

Pt -0.7236908887235113 -1.4755524007647576 4.8008856275211720
Pt 3.2623891212467875 3.5662566855364011 -0.8297042623811973

Pt 2.2394179310329694 1.0183344812192108 5.6118069309926106

Pt -4.5190123910384816 -1.1241551919152186 3.4026359847513374

Pt 6.9342978528683776 -0.5130606152127201 -0.4617821876965689

Pt 0.6488593303382436 5.3101260799076879 2.0392951326940771

Pt -1.6910112633060645 -1.1197248785532918 -2.8544257357851821

Pt -3.5172965475194609 0.7339544128100172 -4.7362846785007218
Pt -0.6818169570018587 -1.7523668239730312 1.7587409394978093

121
Pt -2.8527930567991984 1.8120521307676596 0.8388807640630093

Pt 0.0790955119951197 1.8134246127925200 1.8136405744246487

Pt 3.2917439959273951 -1.6135226757786147 1.1801392497894274

Pt 0.1598296574977169 -1.5677161950308196 -5.3006035065681871

Pt 2.3931681318172422 -3.2658397063589755 -2.6469718929063450
Pt -1.2738416701152691 -4.6845488462617029 1.2793607588960820

Pt 3.7111836605078312 1.0977307683208386 -2.2739305214503887

Pt 1.4909206131914425 -3.2763018187957513 2.5499217872720061

Pt -4.6874099567940561 -3.1872709995300443 1.5101493443539775

Pt 3.7182821300908091 1.2356159418468511 3.3566632446527689

Pt -2.5820736787553509 4.5141248216089824 -0.4472863446613467

Pt 4.1245828143031815 3.9845984494498046 3.5914596090911495
Y -0.8455514211280698 1.0572727028107043 -4.9854297401014023

Y -4.5710366422490463 -0.9839478606679809 -2.7607407558639689

Y 5.5541434919743891 -0.2294932475814571 1.8716316326761007

Y 2.2893532281263127 3.1583079936296290 -3.3388293427985847

Y -0.3406689184727140 -3.5931393458612311 -3.3988107026499765

Y -2.8454574129205819 2.1637138461377354 -2.1767471996105048

Y 2.6762162258473783 1.1242595174345900 0.5089137176524207
Y -2.6066873627371550 -1.8077141005063042 -5.4944680163608357

Y -4.6637735292098856 -0.2931513710043817 0.7772518971350894

Y -0.7472921932076338 0.1947206368444567 -0.2548746654852670

Y -2.5555856345905790 -3.1339371780060032 3.2319273649388647

Y 3.3206295754691366 5.1750669974730439 1.4354977859317275

Y -4.9481541841305887 3.4229610714832832 0.3012416595264504

Y -3.7109590903054306 -4.4175388220672458 -3.1509272290796080
Y 5.9333284922235094 1.9806403807905222 -1.0105238958273803

122
Y -2.1610796332717115 0.3897871903169984 3.2472552909714416

Y -0.2472113871555531 0.7506446063556004 6.2960594209483247

Y -2.3825678466854754 -2.6960701136820058 -0.4380329577393650

Y 2.7676964700536564 -2.6261828377461045 -5.3531684881384898

Y 1.4637196533822707 -0.5990913137393407 -2.9581731058945202
Y -3.7419691088327216 -5.5225928394240826 0.4692407672403495

Y 1.5418231504377635 -0.6123857073687028 3.3779567683832568

Y 0.4000405787787024 3.8049401125999003 -0.3373237924469060

Y -1.8266266881331745 4.0284254486228255 2.2486161253287325

Y 1.4658707320330571 3.1462798725705738 3.8463924955221240

Y 4.5231335503537409 -1.5541920945684697 -1.3797346478793280

Y 1.1537376141198044 -3.1795181473395244 -0.0635120153932754

Pt28 Y27 configuration: ∆E tot = 4.23 eV

Pt -5.3783389510669473 0.9640309730075259 1.2016624795714492

Pt -0.3228289009985262 3.8938053723365242 4.6777914108393102

Pt -1.2863371039718514 1.4145440232669773 -4.1842682879553585

Pt -0.5333229854440485 -4.0402301192876600 4.7349542244732712

Pt -3.6659966337033860 4.8452791296820674 -2.2680323235451776
Pt -0.0396813079857002 4.4167713207140054 -0.2943334977956701

Pt 0.8156625262357561 -5.2207812939364784 0.1010392912683165

Pt -3.0495407436756863 1.0162731683987565 -0.3760337823643966

Pt 4.6145457518201258 1.5706656745293366 0.2556335504197558

Pt 1.0199460522112831 -0.0146055830409527 -3.4523450664624664

Pt 0.7001534151606733 0.4774454264883269 3.9919910942833128

Pt 1.5316422768004980 -4.3903058453776458 2.7117582175991068
Pt -2.0049296529408482 -5.8519094719012088 0.3148688342951201

123
Pt 0.7396773963823954 -2.8563549570124498 -3.3644181597288303

Pt 3.8387027954287158 -2.7021575365658372 -1.1503228138824013

Pt 3.6458247419093386 -2.2226858364107058 2.4228259558556196

Pt -3.9988096180827291 -3.1016817128327347 -2.3409341925525022

Pt -2.7437009079142993 -1.9886709269390674 0.1802803033551188
Pt 3.4643851773706631 4.5388526077766391 -2.7077978592532044

Pt 2.4947938596955126 3.8498266851565126 2.6562517213439212

Pt -1.1544363963229094 3.8466674136176908 -2.7524717783748742

Pt -2.0727825277987919 4.6546517409895296 2.7174154864450046

Pt -4.9594113470587491 -0.2440356055030824 -3.5123960080532330

Pt 3.6058730799232226 0.9624002531781929 -3.8262800900844076

Pt -1.8654629079671932 -3.0415191654855476 -4.3098080629175675
Pt -0.0747329234436836 -1.2023843453376928 -1.0475092805294464

Pt -2.8358566975940627 1.7434819887242246 2.3214396827731867

Pt -1.6190359808832870 -1.5802576958030226 4.0633272400428888

Y 1.3584997877764338 -2.2148989354753650 4.3804778201622350

Y 1.9679429201496339 2.6826821046006439 5.0930692133652080

Y -0.4880766142445936 1.6759542100571456 -1.3136790334928194

Y -0.0739760815315427 2.7467896582550080 2.1663918651310969
Y 1.4343628522835725 2.9083685761394205 -3.7437961652448801

Y -1.3379794518125829 -3.9122471753225825 2.1450270609428865

Y -2.3461704924665381 -0.8132940955910025 -2.7456939054897824

Y 2.6287164716392848 3.7280582998468490 -0.2068506122978151

Y -2.8750683745115402 3.9238413290949805 0.1011430262364986

Y 1.6034853888607523 -2.5451890482193860 0.5477890872788145

Y -1.2238756308174203 -3.9428498031472299 -1.5679778811316838
Y 2.9110707250637131 0.5851114558066498 2.3381973396108768

124
Y 2.7642334545814466 0.1843339758000210 -1.2684189318895347

Y -0.9260849383303830 -0.3738009386621027 1.6390311839355320

Y -5.2435292139984373 -0.7966079921038193 -0.8990500450869037

Y -0.4262712809609639 -1.0672469445839201 -5.4741301897241437

Y 0.2156480150785233 5.8750306341546850 2.0658199087479798
Y 3.7539788751759771 -4.7601291173568976 1.1568786610199504

Y -4.2249908064650281 -4.3306472614480063 0.0208901386613481

Y 5.4093932269435152 -1.1601182677832307 0.5712459864913828

Y 3.2322426615399600 -1.8477429057720645 -3.8819054622783304

Y -3.9984641881539527 -0.9056097394715498 2.5272826499974568

Y 2.2034264877650398 -4.7873572908545690 -2.1805711474418890

Y -3.7316864494868667 2.2320345627371290 -2.8965394186419977
Y -1.7730944064704020 1.3047784402352971 4.7725126190590688

Y 5.1958518220163601 2.5372426913462323 -2.3425375515497238

Y 5.1244137542905452 3.3363978952854345 2.2311054945633289

Pt28 Y27 configuration: ∆E tot = 6.33 eV

Pt 0.1945589015311785 0.6997290026751246 0.4346060976537890

Pt -1.5440252651762414 1.4792125921651667 3.2103543258971707
Pt -0.9833123144167474 2.0133885479517222 -1.7328248711387289

Pt 0.3194593216810482 -0.6153299362943958 2.7289781643121613

Pt 0.3673917049179059 -2.2000383416730074 -0.8463648983402324

Pt 1.4884010868542701 2.9289164466344721 -0.9049673549088585

Pt -2.5135707279487169 1.2657679798607404 0.3923705968835639

Pt 2.8357431134527786 -3.5611395412940592 -0.3844437188664488

Pt -1.8597591812545984 -1.3616798397262269 0.8757036157727164
Pt 2.4149716909170573 -1.1545940322949342 0.9726625583424034

125
Pt 2.2332831402063444 0.2500414198244161 -1.3594118335921912

Pt -3.9083637507970961 -0.2186355943204736 2.4957836907604642

Pt -3.0253547559045399 0.4124981477392651 -2.5590170262932790

Pt 0.6570842576795576 -2.7377343003026331 4.6825108297206706

Pt -2.5371238867765742 4.9791781725930333 0.0285817767874604
Pt 4.9391582869503701 -0.0759485416813907 2.5531000701574404

Pt 5.6829337581209298 0.0539928680430633 -2.8571417225701787

Pt 1.6389911399248280 4.2864991169088267 2.7087013391747647

Pt 2.8816166300333155 -4.1407745191395300 3.2350381182670365

Pt -2.2600496880858616 -4.4668529824613525 2.1908789461647813

Pt -1.2649344141922230 -3.1285979397476753 -3.1507072641941503

Pt -4.9245398200575909 -3.0695079475908162 -0.9930026449022554
Pt -1.4855839255993954 4.8190734331773948 -4.8389751045132394

Pt 0.9797125968272954 2.3384464579176290 -3.6196626141868848

Pt -1.9272649918246936 -0.7273360809446672 -5.1248950700884999

Pt 1.7479120155172909 -2.7202269545758586 -4.4649349991415983

Pt 2.1619838070745603 1.5242334994277877 4.8459656220693494

Pt 4.2751166060136647 2.8814344328907699 -0.0903407156511747

Y -3.7560162535424029 -2.0585735583463975 -3.5180088576002420
Y 0.0017730371482091 3.2183659530803785 4.6146291475343242

Y 1.0175751160961175 4.1608957568975802 -5.4543915822246989

Y -0.6656836962620564 -3.0057274596073507 -5.7519997842418702

Y 2.6001396592225081 5.0290809078662315 0.2191832658305785

Y 3.0753047102222313 -5.7650101134943288 1.0238703078033036

Y -2.1848671606788628 -3.6457804332973271 -0.5461583859879516

Y -6.3182628686272579 0.6853617732735295 2.6886551478749117
Y 0.6142494451657862 -3.3370564805807224 1.7806120871271804

126
Y -4.5765952177688867 -0.4152057424954698 -0.4417861666261947

Y 4.9698203151183762 0.2495622952817214 -0.2082083575980317

Y 0.2031630278066135 -0.5905737812982732 -3.2048931448331115

Y 0.0122758980161911 -0.0392315262051177 5.4499013738608673

Y 1.0872003388949496 -4.3901520194517722 -2.3784646838443764
Y 3.6541673278208751 -1.7928618986056657 -2.5736682682602727

Y 4.6317202399549711 -2.7395103492198398 1.5859509853404286

Y -4.5187462460716592 -2.9551647309771543 1.7622438185530778

Y -0.4759962035822837 4.6454113948874252 -2.2351333367418635

Y 2.5224132804291921 1.7035176753439432 1.9282331816956717

Y -0.5057197035064672 3.4164919255124038 1.0821899090184874

Y -1.7252736570881471 2.0781300144131665 -4.5539099183150613
Y -3.7418070973923578 3.0128335047958803 2.0174643099919325

Y -3.6129050969542993 3.0124737801519013 -1.5083021090785500

Y -1.9448205520305155 -2.1061929381120734 3.6486085414761629

Y 2.8429850822025098 -1.1936451508887815 3.9718175552339754

Y -3.4845176735332952 1.0097193994498523 4.9629016478099013

Y 3.6939886132718431 2.0588262358638691 -2.7898825973746271

Pt28 Y27 configuration: ∆E tot = 6.79 eV

Pt 1.1773666661736304 4.7396587323269577 0.2605017686954003

Pt 4.7089258839519514 -1.5259922102308450 0.3251551714490830

Pt 0.2938140052216013 3.7032948592712205 -3.4801613907093296

Pt 0.7251783156156250 -3.2678533030532790 -3.0705617914420227

Pt 5.1248691216344273 2.8845992176114637 -0.5312758259066390

Pt 1.1554537026952796 -3.9178795899428280 -0.2586903905828386
Pt 3.2402232768430954 -1.1525741588063021 3.0444953237296417

127
Pt 3.0258506394845117 0.1932810639441825 -3.6555471047509389

Pt -0.0687149381502489 0.3173358733440066 4.2103029243791488

Pt -1.4137585613621446 -2.2109096957614778 4.0414672927538264

Pt 2.7031230278984806 0.3133687046356746 -0.7818917959661507

Pt -1.0227387729800765 -2.3200995022731643 -0.7422631159790747
Pt -2.1233397846039184 -1.3072270560392261 1.5299222613537884

Pt -1.8033074754632021 0.2896882669680137 -0.7152344124579226

Pt -4.4762876200945048 1.4983136379026971 -1.9675587330499571

Pt -1.3271010595278578 4.1974143159568280 1.4240459726510935

Pt -2.9992583625207319 -5.4167825917679755 0.7306037809079200

Pt -3.4194385032084353 2.8428050669544023 2.4505436779808534

Pt -5.5765326151542585 -0.8685670485145531 -1.1703894585846566
Pt -3.5668698442725502 -3.7119110658603907 -3.0018664454395232

Pt -5.9313763369339032 -1.6366463586291256 1.4497618105025918

Pt -2.8971441261295530 3.1309014082955668 -0.5203194521735650

Pt 1.8828350714732578 2.0717467696875196 1.2480112930095579

Pt -0.8894749654266193 -0.3050672521405364 -4.7786661783462669

Pt -0.8692660092719063 1.3768311115143372 1.7399228878914004

Pt -0.1253670966263439 2.4021450135192026 -0.7715038373720366
Pt -2.8586183939078147 0.4508192292033171 3.6143399554470141

Pt 1.2594627064474564 4.0232834376870015 3.0888527188454855

Y -2.0099991574367211 2.1930566235166635 -3.0561472088343482

Y -1.4878337691818320 -3.1497368069054907 -4.6297054852632655

Y 3.1358411478013428 -3.6092315182677357 1.5542644262638743

Y 4.4487760334181932 1.0343927646929607 1.4297690998375554

Y 4.6471062366230296 0.2786178982879289 -5.6485595100921397
Y 5.3217093315694211 0.4412048778250728 -1.8631438813982237

128
Y 0.3664869286928046 -0.2779171006612577 -2.3402434032254762

Y 0.9014182657031117 -0.7468956157634443 1.2803188410874085

Y 1.8680728945205096 -5.5776701554678381 -2.2171950371293709

Y 3.1774841668811580 -2.3230807238581601 -1.8880372831074279

Y 5.8552297848058981 -1.9468566181630715 2.7081410537417079
Y -1.0783236417233100 5.0581182998168233 -1.2653744923010697

Y 0.0495986114452675 6.2726454087554879 2.2479883191773595

Y 1.0815533326564444 1.7608554741891627 -5.1354114975456095

Y 1.6637232188457463 -1.7106407737024389 -5.2096752559531376

Y 1.2006155211989709 -2.0654767173740849 4.7358454715149252

Y 2.2646352397719829 1.5787364245379052 4.0422603941457984

Y 2.4709728526952333 3.0007288824755238 -1.7199523029393013
Y 3.5244272413337172 4.3749453635768845 1.4694314191262410

Y -1.1876480910241172 2.9722330569974815 4.0393267586092145

Y -4.1847821695840342 -1.9662578723866464 3.4124371437871526

Y -0.9835710072364295 -3.9271735622083437 1.8167293715718129

Y -1.9834873212440554 -0.3774876010954637 5.9957602179750049

Y -3.9572665834063594 -2.9054534001577483 -0.0432614983726767

Y -1.5068442095528141 -4.9085965053545371 -1.5202342992513520
Y -3.3261618922979412 -0.9233950016347505 -2.7498068793743995

Y -4.2002409170804587 0.6563580225264329 0.8424786111138620

Pt28 Y27 configuration: ∆E tot = 9.20 eV

Pt 1.4845116076378988 -4.6061032607352868 -1.3225104340733020

Pt -1.2402016979976540 -4.5061616480284741 -0.7507219957810012

Pt -3.0997568280093799 1.8831410368448531 -4.0457757390610221
Pt -0.2913853451063387 1.0320743670902579 -5.5281792816027080

129
Pt -4.4690005095998266 -0.4361242570784004 1.8070111535367275

Pt 0.8982145663683786 -4.4619150356621962 1.3324358536888679

Pt -3.4396585679633822 -2.4163107113346984 3.4137884395953204

Pt 3.5224626607064500 0.4143041549616364 -2.3702112989270301

Pt -4.9213295662131369 3.7817508332205101 -0.1488640987273726
Pt 2.8517934180056459 4.2088080935008829 3.1749807940652817

Pt 6.1696338626099596 1.1784936775255974 0.3161607870288345

Pt -0.5601404469199812 2.5775369490507019 -3.1848191560000547

Pt 3.1447239928791011 0.2818139032344077 3.2993072774276224

Pt 2.9039523456442198 -2.9763783099831671 0.4038264607595918

Pt -3.1030139014601361 -0.6241901242940142 -0.8767109002690052

Pt -1.7141994173937467 0.1372730487154538 5.2344073530001687
Pt 2.0427370001358498 -3.8414127403180056 -4.9723251875247660

Pt -5.1586407633642821 1.1217955431331874 -0.3996976416899969

Pt 1.1194948946753025 -0.6963124050702585 -2.8358054644943342

Pt -2.6746953945523004 -2.6335490604978236 0.8107752018282226

Pt 1.4522101251086561 -2.9362779202070066 5.4237569171157807

Pt -1.0747562135126143 -3.4528497788020007 2.7653262228807343

Pt 0.1626150565456438 4.0617433053990197 0.5685657314646528
Pt -2.4176117695656454 4.7412870366972601 0.1022053206334829

Pt -1.6392091386440943 2.6637067641503980 1.9139127884069991

Pt 2.2661387138357743 3.9976178135942551 -2.2213899662920200

Pt 5.2700998393581244 -2.4588430033310726 -0.7831820469254582

Pt 1.3034106155527823 2.8166473145102984 5.0349084012301697

Y -3.0084086056626371 -2.7507095244457580 -5.3098496446002157

Y -1.5671244663326209 -0.3392231006097322 -3.2409890311434904
Y -2.8003654115890311 0.5407125795588184 -6.3444955540803774

130
Y 1.5985677350953658 -2.0860881216433858 2.8120653626322101

Y 1.0277620068535100 1.8207068766167498 -1.0280008420836886

Y 3.7861311931012969 -0.3554654558910122 0.4918223511418782

Y -4.9011445149179025 0.1490596490316251 -2.9275442238402274

Y -1.3028693894732315 -2.5889010802388692 5.3142765485467356
Y 6.1607429771952820 -0.4041474877969767 -2.0459192461762203

Y 2.6624887699243360 4.8555385426086159 0.5204277376921160

Y -2.7049058667404382 2.3157526688022672 -1.0808276501906464

Y -3.3801554942632976 -3.2121068557696444 -1.7665663845322976

Y 0.6980294682261480 -1.5349243698100365 -5.5099605238235041

Y 2.0477094704398979 1.9194361817136887 -4.2448187368701413

Y 4.6214499370474380 2.6638003771722865 -1.3552220563249486
Y 1.2209970232254312 2.0390490229340337 2.4098804663065176

Y -1.7603014069341609 -0.2103624961870776 2.3562262904566729

Y -4.3941807796705383 2.3721121058081773 2.0365163821531045

Y 0.0911116379144156 -2.1415776895383156 -0.4470186032143904

Y 4.7136012269839194 2.4795280403952957 2.4658923633732188

Y 0.6870635655506202 -5.1777524267649184 3.8730938185745512

Y -0.5226924935603364 4.9876188427920276 -1.8859624841581528
Y 1.1287669962770066 0.1544727793548181 5.4734155596690899

Y -1.3915920469052236 2.7551838949664247 4.6341001195591369

Y -0.1780393205300227 -4.1093756653683844 -3.3811855970495559

Y 3.0698090897178520 -2.6902775770676217 -2.5921131494790952

Y -4.3908504397343417 -0.3036252969094089 4.6115812361673347

Pt28 Y27 configuration: ∆E tot = 22.54 eV

Pt 2.2634838095473824 -3.5414575452024453 -2.0173095830987249

131
Pt -1.0571301595790799 -1.5310990254875143 5.6110991900835705

Pt -1.2879724061454880 1.8260577747580247 -2.5683145813208457

Pt 1.1884650260221610 -1.4915676591902789 0.2195237492140155

Pt -0.3768723060895368 -4.3713825511497433 3.2356190278286672

Pt 4.1363008891593980 1.2042018188614831 -0.4775807324657561
Pt 2.2080853046932059 3.5329024480889357 1.4955374302744791

Pt 3.9482615319763217 0.6354533557187022 -3.0676016248006777

Pt -3.6718744921362521 2.5003858777274486 -1.1768356365194073

Pt 3.9279990011376000 -0.8078195794020572 1.3079738588364258

Pt 3.4383155185383898 3.2452788518286226 -2.1240909903305392

Pt 4.5611850338674627 3.7776668096541863 0.2690452926488877

Pt -0.6239039321942583 0.5425320501182053 0.5762606425492246
Pt 3.8817587643583105 -0.2431868523063833 3.8527639151275102

Pt 3.3964367873258205 -3.2624975134575260 0.4301549642681285

Pt 2.0488407959119921 -1.3093421421595612 -3.6799899193977188

Pt 1.8740065354811273 1.1441047549934666 -4.7055066473474456

Pt 4.3232563266645050 1.7983465497672830 2.1142202780229162

Pt 2.1654438795283206 -2.5640795238391689 2.7461231144106790

Pt 0.5453910841262537 3.9608116343752355 -2.1733236433963050
Pt 1.5022860557414532 -0.7722288941385366 4.8127807250266326

Pt 2.3383843760811538 3.7582341381029547 -4.3989836492936414

Pt 3.5786434941738539 -1.2523702653909206 -1.3233046728999944

Pt -0.2124397630584760 -2.3415674546725667 -2.0399166873442383

Pt 2.4221473964444367 1.9074883206354227 4.8463038173120045

Pt -2.2350117191407928 -2.5801380019051505 -4.1926668953589354

Pt -1.1228644310773224 1.5492660482112404 3.4427187228957616
Pt -1.6547128701152289 -2.8778130069767620 0.4207461458597966

132
Y 1.5349562568096535 0.9849661544509402 -1.7032857031485820

Y -0.4357765959611284 -0.3306834801187754 -4.3453431782603014

Y -3.5491359302003320 -4.4799151923797798 -5.4541925420326338

Y 0.9651310429542732 -4.2727757894641343 0.4900882345481438

Y -0.1127143746387989 3.0540577533781259 -4.8449215126397034
Y -3.6906379217796146 1.4559945915986046 -3.8253869033049908

Y -3.3045089162031380 -1.2824144751365620 -6.3275223342396023

Y -3.1835278577367139 1.1762739878771680 1.5291309585605857

Y -4.8509204626413736 -1.9051684811590730 -3.4048923386705559

Y -2.4785481405809233 -3.6701207192961594 4.8431035675639231

Y -4.0781019260632005 -2.1675157067207422 1.4746325887467335

Y -4.2315293252063642 4.2717187669605732 0.6672645531331672
Y -2.2948111186022397 -4.1677596399016128 -1.8991057901341601

Y 1.0226160396595512 3.8870134389709889 3.8141382602910796

Y -2.3753567451255022 -0.5834564535138201 -1.3317723242243893

Y 0.0352796060045566 1.1846990805773132 5.9627214350391649

Y -2.6492318386128964 3.6432459940124189 3.8454987752281173

Y -5.5902017770795487 0.6494733292929450 -0.8344755917909045

Y -2.4068616889264649 -5.1800248210488409 1.6707735720890471
Y -0.5605532170731531 -1.5552867727023061 2.7574333013086645

Y 1.3685310905665558 -3.4268772574335804 5.1637155845599603

Y 2.5431498593482695 5.2521934923211475 -0.6744355119783084

Y -2.0746310490301894 4.6279030534011429 -2.2547310743190314

Y -0.4902671339165033 3.3251414044087761 0.5299056852837817

Y 1.8095123044167758 0.7811558865097480 2.2085247044095184

Y 0.7218316736254426 -3.6499800327326462 -4.2331756466272266
Y -3.1496013852497167 -0.0580385297144542 4.7408636198240366

133
 Pt28 Y27 configuration: ∆E tot = 31.01 eV
Pt 4.2870439509829650 1.9413296751706823 -4.1980936118874190

Pt -5.0893873435435522 -0.0000000000006070 -3.5725253146229590

Pt -1.9501860869838783 3.7129789688813744 -4.6770079402663569
Pt -1.9501860869838783 -3.7129789688825166 -4.6770079402663569

Pt 3.8134587629739647 4.3010543532781487 0.0867988132799123

Pt -4.8854844881298414 4.3085364771992891 -0.5709282848985259

Pt -4.8854844881298414 -4.3085364771960180 -0.5709282848985259

Pt -5.8994495208064786 -0.0000000000006070 1.8968043063011826

Pt 0.2702508502712027 3.0109024250125622 0.0443967395525898

Pt 0.2702508502712027 -3.0109024250087963 0.0443967395525898
Pt -6.1433436690148833 -0.0000000000006070 -1.1457571352713027

Pt -0.5823599610664231 -0.0000000000006070 -3.1324999959985660

Pt -0.7650593723014633 -4.4216737003732023 2.4862476538985194

Pt 2.4943155847539975 -2.9098676334089784 -2.3292966636186487

Pt -3.1183028203750434 -4.0242688436506135 -2.4386541399762360

Pt -4.9331113510837481 -2.2011066466367653 -2.2017173340510747

Pt -4.8604813780607659 -1.8828848277990080 0.5220009264914679
Pt 2.4943155847539975 2.9098676334081470 -2.3292966636186487

Pt -3.1183028203750434 4.0242688436429175 -2.4386541399762360

Pt -0.7650593723014633 4.4216737003760720 2.4862476538985194

Pt -2.7939248858649730 1.3273903944717980 -4.0006556512099678

Pt -2.7939248858649730 -1.3273903944734002 -4.0006556512099678

Pt 4.2870439509829650 -1.9413296751743145 -4.1980936118874190

Pt -4.8604813780607659 1.8828848278072197 0.5220009264914679
Pt -4.9331113510837481 2.2011066466351967 -2.2017173340510747

134
Pt -1.7097030872568384 -1.4122125540662227 4.6442502176478735

Pt -1.7097030872568384 1.4122125540673840 4.6442502176478735

Pt 3.8134587629739647 -4.3010543532776415 0.0867988132799123

Y -0.1577604751494368 -0.0000000000006070 -0.4475017968148703

Y 0.0653393196194694 1.7501651716827185 2.5656573479521483
Y -0.3626155399471571 2.8028073299337390 -2.8048080319898196

Y 0.0653393196194694 -1.7501651716768694 2.5656573479521483

Y -0.3626155399471571 -2.8028073299285494 -2.8048080319898196

Y 2.6919470549787734 1.7572888720274775 0.1097585264246149

Y -2.5400834015386824 3.4045389873507328 0.3176749393579207

Y 2.6919470549787734 -1.7572888720336464 0.1097585264246149

Y -2.5400834015386824 -3.4045389873471161 0.3176749393579207
Y 3.2051872974606170 -0.0000000000006070 2.7564104988506428

Y 2.4065721775185289 -0.0000000000006070 -3.0741029203675150

Y -3.3399347257397638 -0.0000000000006070 2.3366887759471573

Y -3.3919240103265116 -0.0000000000006070 -1.3960670815862666

Y -0.5505464175706986 3.8148365039281873 5.0757727525025746

Y -0.5505464175706986 -3.8148365039346515 5.0757727525025746

Y 5.8199502304219672 -0.0000000000006070 4.1760734656641416
Y 5.9837242246951439 -0.0000000000006070 -3.7988396458273841

Y 5.9010175890672398 -0.0000000000006070 0.3156970052903719

Y 0.4197392150744471 -0.0000000000006070 5.6276366425862099

Y 1.9370867614280565 -4.6098900824232150 2.1003804651352285

Y 5.2529693798594073 -2.8802452058485719 -1.8678826664987338

Y 5.1422728378833211 -3.0081135675273836 2.0892982549692336

Y 2.9487988120664852 -2.4786366755612330 4.7757992851092759
Y 2.9487988120664852 2.4786366755560958 4.7757992851092759

135
Y 5.2529693798594073 2.8802452058494343 -1.8678826664987338

Y 5.1422728378833211 3.0081135675350139 2.0892982549692336

Y 1.9370867614280565 4.6098900824224138 2.1003804651352285

Pt35 Y20 configuration: ∆E tot = 0.00 eV

Pt 4.6862212320879726 1.5750616078684889 -1.0008409742776296

Pt -1.7917114101511538 -3.5143868561517535 -3.1601103873288339

Pt 2.6411431458837087 0.0943607975548749 -0.2883684457945360

Pt 0.0743049442694325 -0.0204782657255868 -6.5466793188790584

Pt -2.5517574318041878 -3.4104841963287265 1.6760540449200587

Pt 2.4430159077289653 1.9387433411809323 -2.7478343738856963

Pt -0.3999065427706677 -0.8365209012325169 5.2088696851110621
Pt 0.0294323529492479 2.0088213165003204 -1.3789922426683845

Pt 0.3679082628859244 0.8894239076221856 1.0933848887532311

Pt -3.8673778975904303 3.3307932056376299 -0.0229898427061539

Pt 2.2836770189175737 -3.3422962799917824 -4.0639786068766499

Pt 0.4057863041888575 -0.7503358382992863 -1.6107587225814612

Pt 5.1492995519444040 -1.0976001510772952 -0.8502719786547097

Pt 2.6761775256923905 -5.1827731691888630 0.1179035935411294
Pt 0.8764907454790339 -1.8170660193054651 0.7907555669123163

Pt -0.9723836516491146 4.4889271484180444 -4.0963509152413380

Pt 0.9586041699894311 5.3044911657138965 0.5272632339825021

Pt 4.0521625315521694 -3.4597831292342218 -1.6671170112080740

Pt -0.8993906659009975 -3.3125775207362591 3.8869738105056277

Pt -1.7484061839151512 0.2072019195280886 -2.7943146902349461

Pt -4.7290239478349916 -2.1328853192842963 -1.2899255045743712
Pt -3.3026739136435608 4.4656673159459910 2.4313754587533087

136
Pt -2.1952041010286369 0.7848288523807246 0.1706771442996204

Pt -6.2255972933444665 0.5466695643365104 1.2701640575323692

Pt 0.7676550952182563 4.1139580109327980 3.1307585708396544

Pt 2.8018617557872934 -4.5742686029142092 2.9033154634984180

Pt 3.5051361195967767 2.2798154050429758 3.0689886793877910
Pt 2.0856154064881056 0.4313936678954467 -4.8771422067108396

Pt -4.0825547004249056 1.1831794836469689 -3.7148743518958329

Pt 4.4898947703630911 -1.5474942414153599 3.3298263611285885

Pt -3.8363168280067277 -0.5628439697071480 3.9644681222748406

Pt -1.9441570368207137 1.3599065899557485 4.6274524680992206

Pt 2.3597748761157495 -0.2203399626818718 2.4702890695620430

Pt 3.7011544359393960 3.9883194478233253 -1.6479639231604095
Pt -1.3545749593529393 -4.7794142926430467 -0.6743677458885389

Y 1.6946558554469662 -2.4094095422691084 4.1282824484406930

Y -3.6146907887908424 -1.6273692771508974 -3.7289577762258799

Y 0.0548718043732269 -1.7251463496032560 -4.3997367414209947

Y 1.0210291495433697 4.5041577036602956 -2.1267434587742673

Y 0.8053417920263660 1.4722958431545596 3.9811819267115580

Y -3.9241492327589911 1.6998607779585753 2.3924877609544866
Y -1.6318228082400492 3.9777045969463938 4.4279284144477096

Y -4.7186480794988439 -1.6941478185236993 1.6869554668099498

Y -1.3971578188045890 -0.9237313053169555 2.6074869357219028

Y -2.4708165308806707 3.0340584472659180 -2.2916338138436099

Y -4.7746471306582530 0.6564050473631758 -1.0346329127273572

Y 3.1861160756342235 -1.0563463586555144 -2.8261865648304467

Y 2.4607112794470458 2.9350908651825165 0.6208997691338254
Y -1.0528206669844775 3.4801568122680293 1.0122676870810208

137
Y -1.9535260270045858 -2.0864466340830812 -0.6914575476932658

Y 5.0308908725143411 0.5278967013162917 1.5630695623915896

Y 3.5729547943392577 -2.7221787243518816 0.9535754290147362

Y -0.1229431928211172 1.8344311643572471 -4.4922300629079723

Y 1.0774651561331319 -3.8042833768665161 -1.6455695824457124
Y 0.3029059081453526 -4.5030126047193537 1.6273740836277166

Pt35 Y20 configuration: ∆E tot = 1.35 eV

Pt -1.1871155702915621 0.8568546389774473 -5.0889109556700518

Pt -4.3789105993705215 -0.7774117650535438 -2.5155231222098111

Pt 4.4169081366615623 -0.5834287158224009 1.7104103133776274

Pt 2.3542281391624922 -3.7229575855807839 -0.5548395112523644
Pt 2.0493748353919976 2.9292334250027485 -4.2605310814045811

Pt -0.8051062180616971 -3.4280473436920351 -3.8133326607646509

Pt -1.4949347506923616 -2.9495771732124583 1.7265801587274119

Pt -3.3788340799920649 1.8496440373394236 -2.5614099890950044

Pt 3.9676473961446295 1.1257494587187744 -3.2479355423058003

Pt 2.9314247945226266 0.7422362066367773 -0.2932331304234302

Pt -2.7548377430160400 -1.8853797789380957 -4.9349796935737551
Pt -4.4581513282118719 0.5425335453603594 1.7137569780290733

Pt 0.4182007044380434 1.0747429427755573 -1.2236419149860263

Pt 1.5920677118227984 -3.9809425070045252 2.0165381859636127

Pt -2.2036750594325669 -4.3059341871527321 3.8505199923244633

Pt -5.5620753065733037 -1.7230590084215658 2.1070569457148132

Pt 2.1708672011773258 4.4183972082685026 1.2221746044448718

Pt -4.1245097985008696 3.0395831179073749 1.0376017394610670
Pt -3.1520680129546133 -3.2592763926371315 -2.4822681221837648

138
Pt 5.5085083478120600 3.3547290940307830 -0.4804474509541521

Pt -0.7622385049367494 -0.2094973983897298 2.5776033250985044

Pt 3.6709889543777807 0.6241639309533126 3.9467043860713438

Pt -1.5290045177575913 -0.4094406250982584 5.2850585615853323

Pt -0.8939226735349221 -1.0736807306695395 -0.0159747265008426
Pt 1.7402267509018172 -3.6659536933512920 -3.2059889779281496

Pt 1.3374717556044338 0.3836899100209027 -3.8309732830827548

Pt -2.9163661410538539 -4.5587198109267897 -0.1171229230527562

Pt 2.7260162158075945 -1.9095344373650365 3.7125118927842800

Pt 0.2040579935349134 3.8470484811370769 -0.5889375391095985

Pt -2.4362550367004498 3.8732934551943554 -1.1962624900080154

Pt -1.5371852770681367 3.8582669704311101 1.5376112054230702
Pt -0.3704204273570719 2.9921875945333545 5.2788650180197081

Pt 4.2080303353236381 -1.8046632659353810 -0.6618783415152000

Pt 1.1995960792613800 -1.4266728106861395 -1.8164305343205882

Pt 2.3033385362578889 3.0228078695280240 3.7384404090446397

Y -0.4779093179180169 -3.7744599429699965 -0.9695310724037630

Y 3.5326547763594034 -1.5866211205186600 -3.3064175131910227

Y -0.5227150566482220 2.9330050244878096 -3.2107430499666361
Y -3.7123713729641343 -1.9696560639445968 0.0412363271099804

Y -2.2615023540231434 2.0038086023120378 3.5565052462314060

Y -5.3926896452720703 1.3250748656378031 -0.8049829315192280

Y 4.2091917598710307 2.4146166379529657 1.7130966324953629

Y -0.0159295206205725 -2.7711119306667262 4.1816828284523000

Y 2.8125884505729459 3.2512557325932159 -1.6078847756853776

Y 1.0393225320435719 0.6340576203145553 4.6704868855260147
Y -3.2983296679227561 -1.8043718790759495 3.5847666025901739

139
Y 5.5727408743894724 0.7039981912431098 -1.1197017020482072

Y 0.2541048791207355 4.8070100988906992 3.3216355715737431

Y -1.5432408225146672 -0.7104062729085426 -2.7423726408483287

Y -3.8673522075378841 0.5350517101979754 -4.9719869515547863

Y 1.6358873659955828 -1.3436161099992407 1.2026103660804424
Y -2.1377491848734467 1.4314029860809185 0.0483821622773845

Y 0.8330248478278656 2.0318940246379702 1.4856203422951921

Y 4.1989421589303806 -3.3947331433895016 1.7307224613598833

Y 0.2879886624871986 -1.5771836877542880 -5.3739365145030575

Pt35 Y20 configuration: ∆E tot = 2.53 eV

Pt -0.5550966644030109 -1.7503382400222072 -5.0597428428902376
Pt -0.6253616546810836 0.0953302724871263 -0.8312918659190414

Pt -4.1959449224674339 2.1076563864940594 -4.5187231767546407

Pt 0.1668276071694475 0.9050411301905075 -4.8195206362533964

Pt -2.5208754180045618 -0.0460277100844704 -4.9209638545884289

Pt -4.3832299979307017 -0.1022868566642203 2.0589431897038297

Pt 0.2648263764660166 -3.2293643368784424 2.1073287160482161

Pt 1.9582597340808217 4.1452637207714016 -1.6131989142960028
Pt 1.9615893873842445 1.2400381588910148 0.1685081247626663

Pt -4.3307690699717689 -0.0105516091879729 -2.8404436955228256

Pt -4.3428529673218552 -2.8580272074056841 1.7686989592456517

Pt 4.9202204488242636 0.2585049916538504 0.4549099705797672

Pt 4.6665438405595294 -1.8932158414889302 -3.2004143851652405

Pt -2.8425933901951348 3.9105326536089366 -1.0788306617017243

Pt 0.7418344314972012 -1.2128271085124038 -2.8456115126443970
Pt 2.8688282083482273 -1.3194974965570396 1.2280533202446742

140
Pt 4.1674165103366851 2.3342877747825810 -4.5731407832418549

Pt 0.9382573149457085 2.7270045562811291 2.2959837987410379

Pt -1.5348690493994115 1.1834440535153710 1.7315484445263742

Pt 4.6983286189251388 -0.6711482646627212 4.5179143283916616

Pt -3.1795380402360296 0.7774525155782874 -0.4410446872154912
Pt -1.0134867786829720 -1.4801511012687816 3.8268283542742325

Pt -4.5041062625218302 2.9453095665700757 4.2344505638133683

Pt -3.1975494683768302 -3.4776051252238784 -0.6142212313822426

Pt 3.1717949640344667 -0.4117768607380285 -1.5860133250725814

Pt -6.0540076329452157 1.5871987043778057 0.4865870729070300

Pt 1.2177726020016120 1.5140901848995894 -2.3974823468342823

Pt 5.1505273904365012 2.8551435538019416 0.9699080868745897
Pt 4.1035507926197745 -3.9501475871754024 3.5919787190079076

Pt 2.3086850839103708 0.4856616952450308 5.3971104067641091

Pt 0.7992074704937513 -0.0671330585839942 2.2206579325935278

Pt -0.1092836471743459 -3.8707261739072965 -3.3605898266133867

Pt 4.4717502496456865 -2.6159879190769373 -0.4436496776110211

Pt 0.7710973455534418 -2.2538480881826390 -0.3316388233159502

Pt -2.8842083235278579 0.8622031614714589 4.1903123269655342
Y 2.4955957464800793 -3.3055024298263613 -2.4339354570657461

Y -0.6646225498928244 -4.4631210005496378 -0.7634220714456263

Y 2.8058327775103926 -4.1127215352983661 1.2563130298139165

Y -3.6663290684304499 -1.7114291899828644 4.2502956186327161

Y 2.8571227837477471 4.1458360431389139 0.9789104199333762

Y -6.2507189017924460 1.3087717325113206 3.2691927929914182

Y -2.1168901140032803 -1.7882863061779717 -2.6110745503229946
Y -0.1473473217314149 1.2300418961701456 4.5317509434894205

141
Y 4.0508347178759827 2.2250483914813750 -1.6973356658123533

Y -1.8395691419421356 1.7854750094817642 -3.0348261367892153

Y 5.4118747890167240 -1.9107246367915791 2.2737142763203542

Y -5.2177335946115919 -1.1239827827343700 -0.4159849516986761

Y -1.8792008088662524 -1.6401949936924232 1.1212515196979924
Y 2.1517652437348547 -1.9240681447889769 4.0173309166109483

Y 1.6669694011019651 3.2351701955607157 -4.3740394292500770

Y -0.3120822725614014 2.9394434215048473 -0.1773419211347791

Y -5.0497873159786915 2.5125006542564425 -1.9481635029503221

Y -3.7223513983466550 2.8299133927963918 1.5432375286426858

Y 2.8624019263333187 -0.1227011497525177 -4.3828545021542560

Y 3.4906900129632294 1.1770289376940282 2.8237810740697755

Pt35 Y20 configuration: ∆E tot = 4.83 eV

Pt 2.6130689911925247 -2.9334676529915833 3.8736397927766006

Pt 1.3038235090063515 0.4934091657539020 5.9655083255292762

Pt 1.0429240754594014 -4.9538305975325141 -2.6754811119643334

Pt -5.9835767269581357 0.8007917332418809 -3.3049522829180340

Pt 5.6472095697942617 0.0696893123805645 0.9082632370762292
Pt 2.2461929340859239 -2.5434332876214705 1.1748908538915446

Pt -3.6297888919184240 -2.9138542231054525 -1.0786721940775390

Pt -0.9312361172811815 -1.8595063741100548 3.1596382957537390

Pt -0.1990322146619878 2.1485910542639517 4.0968142451720677

Pt 1.8868288759540179 -2.7836366702957975 -1.4508759223724512

Pt -0.9548851713805863 -1.0242271990341678 -2.6185536938487948

Pt -3.7263130385749532 -0.6604437631614676 5.1649028364090412
Pt -2.8383974639877030 -0.2339057567541788 -0.7288714491934590

142
Pt 0.0196265397875755 4.1986015988167518 -3.2359818391494350

Pt -2.9120615700123986 4.2541924254025023 -0.9360641916236235

Pt 0.1086543550549076 -4.4008185696454447 -0.1081178801267492

Pt -2.2102820834955361 -5.4484543866795949 3.3583175828374934

Pt 4.1109173862164452 -1.4766000457593853 -0.8641303597355260
Pt -2.3632626988165617 2.0713697570543181 0.5243617067270919

Pt -1.1891471656781054 -0.0217007440899545 5.2057256920875474

Pt 4.1851112035333333 0.5948366307873135 3.2418508385433142

Pt 2.1165980325243714 4.4476771711170526 0.3051407205528057

Pt 4.4293003547760179 2.7280708850925173 -0.2766230472058425

Pt 0.9528164360569308 4.3172913694714765 2.9834276627866263

Pt -1.3294296546015432 2.3276139597274925 -4.8406020300360684
Pt -1.5014261216705773 4.3848800593838355 1.5468413862143384

Pt -2.1125674417350480 -2.4267217268652144 -5.0322723683884583

Pt -3.0092058842708793 -1.9302158712992805 1.3218053658564148

Pt 3.5370960575819694 -0.7878103770353601 5.3075762980707335

Pt 0.7831879596819745 -2.5407494442154950 -4.0415111101307648

Pt 1.2335092040530753 1.8443370564823616 -4.3643848734925079

Pt 3.1415740463420452 2.8027934978915119 2.1762113418850095
Pt 3.8774778999715136 1.4661498528673735 -3.9765250372222818

Pt -4.0169506481884092 -3.8215974384650102 -3.5136371696135829

Pt -3.7475336131931289 1.9148027069142655 -4.0498404391948988

Y 2.9778672520997120 0.4624284060096336 0.5272927419983665

Y 2.1269664019749626 -0.4485820641788191 -2.9128031343859817

Y -3.8540903155339556 -1.0282467300423710 -3.3397578629922382

Y -2.4697721383492288 -4.6043814484860466 0.7723094028660170
Y 5.4613616085305701 0.8075494653756513 -1.8624045882674967

143
Y 2.5546032050083523 3.2332046739633329 -2.1923374963265765

Y 0.3260247305529800 -4.2514852053112762 2.7213928372915288

Y 0.3357403209946093 2.3606309160087773 1.3143965968846665

Y 4.7071421733466021 -2.0038525440733586 2.3791440551404235

Y 1.4438965828365873 -0.4693130453967379 3.4639520308515532
Y -0.3433793004507672 -1.5954081111756226 0.1903050511577105

Y -2.5682696048900562 0.5502137861874573 2.8984021167554079

Y -0.2237404945870260 5.2870111921320566 -0.6928927931061003

Y -1.4091160151819386 -3.8896504233416009 -2.6806182501469333

Y -0.4705084888048880 -0.3136877247941875 -5.3599730998245168

Y -1.0540379190400959 1.7332262038206416 -2.1560652338602448

Y -4.5564368174953831 1.9472664362286360 -1.3832461817177606
Y -3.2786388577289705 -2.9408032692623505 3.8898166128036897

Y -2.7363616940027322 4.4495695343538735 -3.5764807109345726

Y 2.4499284460731872 2.6101858439946644 4.7817487239375378

Pt35 Y20 configuration: ∆E tot = 5.61 eV

Pt 4.2570220479414296 -2.4779442622070569 -1.7796677487396408

Pt -1.1204676385999257 -5.1553748532929546 -0.9190632244743782
Pt 2.0645410307179368 -2.4093198986209821 -3.5236802575464052

Pt 0.2446343296887797 1.6824275661839936 -4.7558818892258508

Pt -1.9016057342738117 0.1173167380551896 -5.3165381383983821

Pt -4.2528280797071076 0.2830355601350196 1.5544455819711516

Pt 0.7200621269174924 -4.4401675528103857 0.9142934127730560

Pt -2.9251971727305639 -0.7151164659437681 -2.6727646754286276

Pt -2.5841123580123551 -2.1626093941895448 4.6960019826222439
Pt -3.8921726174922107 -2.2847052287214202 2.4105841133521526

144
Pt 4.8167672694581043 0.3557037933135621 -1.8808825209266944

Pt 2.4714847959231010 3.6103319026415055 0.2376408382614112

Pt 4.1835117500690595 -1.0382301793052120 -4.1804390162947414

Pt -2.8695239966958255 -3.4170873531047308 -2.1079185483079996

Pt 1.0508945781007364 4.3217417086897658 2.5705166980910992
Pt 0.0949994837960582 -2.3332487594278790 -5.4814716357142963

Pt 2.7162319381040883 1.0595126159249668 -3.5411734342338823

Pt -0.8844835278611135 3.9992065054382318 -3.4245553909229001

Pt 3.3320152261456233 -0.0642854273437603 2.9597482464549967

Pt 3.0668400207784181 -3.2213376695009819 0.4632017566573774

Pt -3.5514584886890326 -1.6144352452049322 -0.2048145757517501

Pt -1.8445257649900146 0.2068812291112639 5.5665289781516023
Pt -3.0880131086942857 1.9365935674857777 3.5421384395026188

Pt -4.3910060546442660 1.2916226780504503 -1.1987761545210986

Pt 3.8116650443740925 1.1575812033537840 0.5174952619095965

Pt 2.7837487064157962 -1.6823562982916958 5.0244779848650332

Pt -1.2728780293682551 -3.3013460363257661 2.3769716476601261

Pt 0.0554622314056220 -1.8503537776076460 4.9546227265895961

Pt 1.6659948836562968 5.2306116510272096 -1.8170718961720960
Pt -1.9953108848490351 3.5100094130626762 -1.0445434971897738

Pt -1.2828079289871017 2.8186940646919014 1.5935504715095172

Pt 1.9922890769287578 3.5907171230856423 -3.8977048983080174

Pt -0.7436903034532892 2.0509354250772054 6.9720925202533390

Pt -0.3244685460729865 -3.5734868434109019 -3.0321138485263228

Pt 2.1068033692295627 2.3605274024688496 4.2343146584568228

Y 1.9179597435520670 -4.4928520220308119 -1.7066410938342340
Y -0.1954455541954455 -0.6033318022695831 -3.2970939350194817

145
Y 1.5623715926896995 -2.2300767013191178 2.6381274940080175

Y 0.6955337839538850 2.5540173791393661 -1.7763422640545041

Y 1.3020518776191141 1.5657966002802093 1.7607117497474434

Y -1.9413718715544104 0.8017513712058633 -0.3300932835305712

Y -4.0520939240726781 2.9809719520718083 1.0324552139633520
Y 4.9970797214351421 -1.2375870458701401 0.9780725874150047

Y 4.0571668204818794 3.0159334749563702 -1.9739704086393122

Y -0.6622060928490204 3.1067038575989665 4.5004581614954908

Y -1.6433233730494774 -0.4160077500236028 2.7983115151196514

Y -0.7949457263008456 -2.4569265394221063 -0.3461048520490149

Y 1.9345226762829817 -0.3141018559172783 -5.8335399718446990

Y -3.2894764870826574 -4.3139308527412368 0.6573155573262381
Y -0.0810210294696462 5.1598445810777624 0.2341263183133302

Y 1.2293214138617292 0.4372862093942973 5.8326626161021746

Y 2.4033694107228820 -0.6779667743628712 -1.0551695455595285

Y -4.5191515997399216 -0.2704976423997190 4.4412925200412730

Y -2.5763013801487427 -2.5252769703998563 -4.7694557285325061

Y -2.8544576766663061 2.0742056285443020 -3.5946866188670130

Pt35 Y20 configuration: ∆E tot = 6.53 eV

Pt 1.4726976239185330 -6.9403014507956469 -0.1299558954349221

Pt -2.5396093704486611 2.8968204740692545 -4.0314743201563221

Pt -0.0825225973100547 1.6382054657055647 -4.4796367235742816

Pt -3.0556834718141057 -0.5089946379044588 -2.4887832969487143

Pt -3.8643186896019688 -1.1170425212983652 5.0882345911932712

Pt -0.5150713884216902 -3.8446328592886228 1.9156237016012629
Pt 5.1918493081925217 0.0944230814783708 -1.0800818421979144

146
Pt 2.1505156658433733 3.8969157699460308 1.0212403201955143

Pt 4.4895768547204709 -0.8511428508210221 -3.5056996127408633

Pt -4.4684025689342377 1.5462274658815403 2.1712721700850066

Pt 0.2153933333301810 5.4665343635855583 2.0284146131049683

Pt 0.1392372290256332 -0.9191264103223038 -5.2839271187210057
Pt 3.8075940661084382 -0.4551944703144895 1.0613523847542652

Pt 4.0758393281818099 1.9219753973096829 -2.8225158941169859

Pt 3.7517735951447331 2.0896037255822733 -0.0739536216148423

Pt -0.2154110839198519 -0.6854718457782243 -0.7662537198661422

Pt 2.2781059200279938 -0.6353232388505667 3.2710549786725522

Pt 3.9314975993835071 -3.8117234249782395 0.9564015641398148

Pt -2.5227064741786429 -2.4819704101339508 3.3683461842610960
Pt -3.6877272911586005 3.3376113779159224 3.8940159264931591

Pt 1.1716076487962077 -3.1423717614420226 -1.8523403983008442

Pt -4.4961299149823244 -0.0662019778111127 -0.0201679689841732

Pt 2.3923781288841561 0.4112353528463035 -4.5776078047287250

Pt 3.2558279566836030 1.8332896474345455 2.5854364096170164

Pt 2.9575712115373620 -3.2154273650876406 3.4086751395152941

Pt -0.4268367717860588 -0.9049637979693996 2.3306026792907231
Pt 1.9173244948804227 3.1234441051169703 -1.6689572486939244

Pt -0.0464867140736009 4.4190074086681701 -0.4283939150989587

Pt -3.8356404909358930 2.6269880780260961 -0.2392332853576523

Pt -2.0171753995528907 0.9196008455674896 0.9340290955078373

Pt -2.4609470535878004 4.3593185581251959 -1.5538019511734347

Pt -0.1571552730724885 4.0313646505318141 -3.0993266551957177

Pt -1.0132307459257355 3.3644041984223971 4.3428278101835973
Pt 3.9574145703414882 -2.4156831557849983 -1.3932344225339999

147
Pt 0.6105499154984058 1.2518037629965748 4.0124021359901478

Y -2.4178724586308937 0.3941857518310823 -5.1195493461945754

Y 1.8881091603777205 -5.4107144767977857 2.1474987569350210

Y -0.9842275978007100 -2.1648925440541551 -3.2225589405808304

Y 1.6888605166509087 -2.2212492856060577 0.8847752164663979
Y 2.2231976402253841 3.2050575407716049 -4.3626540205350226

Y 2.3727318508060855 0.1028291445404357 -1.7494894527602933

Y -4.5780427496749665 1.8649204689547887 -2.6036766233471731

Y 0.4882193474223460 -2.5385569776979886 4.3407666767313451

Y -5.0454900915348846 -0.9835966892193959 2.6946256546912570

Y 0.9495642091342136 1.4296771778761046 1.2002908971358730

Y -0.3960995788050825 -5.0533967217620086 -0.5747306650033824
Y 1.6187678949128936 3.8470687157331795 3.7549745639294629

Y -1.9870745120757531 3.8027305915408851 1.7216348906534287

Y -5.1448556907178737 -1.9639768161014441 -1.7015879681255153

Y -1.1710688914455067 1.8729293156923978 -1.7244489308593800

Y -2.9257572876822278 -4.8640922162349893 2.5367829865867400

Y -2.3596943074165933 -1.9397483587317714 0.4540992730861055

Y 2.5143414780852118 -2.4193048180952021 -4.2257727850672460
Y 3.1623624162415802 -5.0622789225071756 -1.2612877995243683

Y -2.2576704988660894 0.8692075692388019 3.9157236066160506

Pt35 Y20 configuration: ∆E tot = 8.65 eV

Pt -0.1290869681029466 -0.0073455708016659 0.1430904530505284

Pt 0.5205612034126009 1.0994960349670313 2.6924273866265529

Pt 0.3710081300939830 1.5798313072899508 -1.9656466212889951
Pt -0.6519748507899624 -1.5036856382696473 2.3531922286675084

148
Pt -0.5644773971839893 -1.0393461162364530 -2.5060505655665106

Pt 1.3123738093711033 2.7719191278656123 0.4426245017673758

Pt -1.6792766450289369 2.4030102771465174 -0.4497148952799581

Pt 1.4524642596427639 -2.3313012669755255 0.7077677022230959

Pt -1.2851027743674639 -2.8054133149108469 -0.2730447221682371
Pt 2.4751822860951536 0.2579735933656079 1.0360201022828466

Pt 2.0219501838484311 -0.5462922669915266 -1.5293793312044317

Pt -2.2221339681626771 0.8088244789715032 1.7736901952182149

Pt -2.7466456034134592 -0.2320639940971581 -0.8647049975816634

Pt -0.3603211194335220 4.9156078687337930 -0.2866199046341447

Pt 0.5040523285345145 -4.9298188351479988 0.3340516589579632

Pt -6.5174371274442056 -1.2845537558479267 -0.7109509905419433
Pt 4.9010349478071760 0.0900616461178711 -0.1444114655931223

Pt 0.0419700182723096 0.5570485664707862 -4.8011605616329271

Pt -0.1412964840335261 -0.5327075029972322 4.9645212987810821

Pt 0.9919017082124238 -3.9036423631593942 3.0213138321354522

Pt -1.6706915925693606 -3.5580360999699336 -2.9388252337849532

Pt 3.7710643735062255 -2.5668010754575392 -0.9254581731354723

Pt 4.1948164724942032 -2.0263355723123992 1.6876697888814396
Pt -3.3045933386305806 -1.7923781147743667 1.4977951859723928

Pt 1.7541489106630193 3.6902455484931695 3.0882698699496771

Pt -0.6706842253619477 3.9561615093335498 -2.9083350789129887

Pt 2.4766369138987909 1.4892782009761660 -3.6696533969103622

Pt -3.2009725993988334 -1.2774591307057537 -3.4254765543832302

Pt 1.8132321557272217 -1.4392068976041510 -4.1312217196447039

Pt -3.7094551945420604 3.2220932990102984 1.1590636607008726
Pt -4.3158618259306962 2.2049329006465501 -1.5372966958900129

149
Pt -2.5040928512101313 -2.3677211220228140 4.1348657166756748

Pt 3.3666070036291624 1.4293906011539925 3.3941890988660472

Pt -1.6159334883252348 1.7430527698529197 4.2919543676697929

Pt 4.4796159517373866 2.0864616891346257 -1.9605567233105898

Y -1.7049319100135316 -4.1071057595451332 2.1691462183951455
Y 1.2589453974411835 -3.3028350618704905 -2.0885768352933698

Y 2.1301520155888007 3.7259847925740135 -2.0264548563239715

Y -1.0808074434318391 3.5497823110047046 2.2463092687816557

Y -2.1530718889144720 1.4668956136058897 -3.2889976903689608

Y 2.1421726073043916 -1.2649391452244347 3.4773231022958568

Y 4.0098818152772902 2.5657958989515284 0.8102031869571114

Y -5.4373585963648079 0.0738359022089829 -2.7083230075065052
Y 0.9490827879782936 2.0456697542868434 5.2185645593080432

Y 0.6832173589096616 3.0181895955428266 -5.1064561766979670

Y -0.2848634851161499 -3.1414630609437215 5.3024306740872840

Y -0.8547025761761592 -1.9822684581535559 -5.1041878291768557

Y 1.7000855876853567 5.5051515502811288 1.2297270402006186

Y -3.0449238989394023 4.6861532764480502 -1.0710524816804921

Y 3.1363771494458264 -4.4960110555719641 1.1765883414125586
Y -1.5141466434541668 -5.5104385189702105 -1.2373217824941165

Y 5.5334903150559995 -0.0128093306002515 2.5369716539200984

Y 4.2995521350129504 -0.7842793585976576 -3.0051703003745520

Y -4.8528992715212844 0.4745086071950530 0.7824814919452370

Y -4.0738340587848807 -2.6710983338692125 -1.0072039943490962

Pt35 Y20 configuration: ∆E tot = 14.81 eV

Pt -2.1753959668001395 -4.2914638332879731 -3.2788079647967687

150
Pt 2.0779629362973302 6.4673674644380457 0.4559381458184960

Pt 2.0518772358148984 -4.2064129091220570 -0.2679399216627628

Pt 2.7075855484387752 -1.8651402481966588 -4.3302584153725885

Pt -4.5423855152651722 0.6031286169415451 -4.2750331084048696

Pt -0.0738383383540190 1.4489113410929859 5.4588520540696637
Pt -4.0130856239378394 -0.8766564815820101 3.0166771805804848

Pt -2.3675432859306600 -5.4070351722447558 2.4007560457409016

Pt 4.6052547270225732 -0.3376378836293712 2.4602328763355401

Pt -0.0666222954583208 -5.0132253769131196 1.0535726891110844

Pt -4.4963051531589358 1.0048465834762317 0.8834209554427978

Pt 4.4075725991295807 0.0401045770665782 -0.3302165274330685

Pt 0.8885656039238844 -0.0296261804281925 -4.0493390017002087
Pt 1.3444269444737653 -0.0832977032108661 3.9156955049715325

Pt 2.3838099543065558 -4.3615256766336303 2.3268171372686166

Pt -0.3161451096812896 -4.6088078111753168 3.7176294201801281

Pt -0.2422560236821028 -4.5747962660771497 -1.5608948890620800

Pt -1.7713650694476142 -1.8066698228922948 -2.4980979119174118

Pt 3.6736535993911175 -2.0942027059413073 -1.7711484003663640

Pt 3.3139956898612746 -2.1862719111102091 0.8781957372992294
Pt -4.1010706352324631 -3.0034076948770005 -1.8158614253969823

Pt -4.4772809551172346 -1.8745462941124547 0.6058525565202352

Pt -2.6797922640619287 4.6612341271094291 1.4676534049519294

Pt 0.1680077416914084 2.5119944650854249 0.5846808177956387

Pt -5.2196953622605662 3.0111650945567465 -0.8382316958129060

Pt 2.9098615697053365 3.0651180083230658 -3.7924431084113714

Pt -0.9349485327140395 0.3382892015237700 -1.0943218891185642
Pt 2.0105214777186959 -3.9914001991447696 -2.9425785673174132

151
Pt -2.2057801562612305 -2.7964439842557232 3.1140979433733915

Pt 3.0551705735818895 -2.0296078970621192 3.6179644208271662

Pt 1.6695346244932265 3.5115069893847828 4.3390212970851092

Pt -1.3608897952308343 -0.3913413144404634 3.9909436704376939

Pt 3.3230334695220582 2.5696182168623212 -0.8474067869467025
Pt 4.4666969524228586 2.1558646863868134 1.5572542620274767

Pt 1.8413685359025767 -3.9552411096796174 4.8694644081359684

Y -1.2014850713769718 4.6396437815439606 -3.2835287632016237

Y 2.7212944829098551 5.0632906007995784 -1.7346432223855970

Y -4.0787581413641680 5.4529381820883120 -0.6743455926787073

Y 1.1278444431979602 2.1520829633036174 -5.4966367582175542

Y -1.8076940857700476 0.6676218779223027 -3.8644390238223782
Y -4.5450239726667725 3.0961295031893030 -3.3964001062363134

Y 2.1430554635150401 0.4873831338903327 1.1785909022810090

Y -0.6788643784170861 2.5077517213185434 3.1852780244159518

Y 0.8310356136561702 2.2245533688215691 -2.1182679964974080

Y 0.5277858830886720 -2.4437876929418616 2.3959815131403688

Y -0.0391942314475716 -3.0539454071042034 -4.4296583896249011

Y 2.5178403823399162 4.0334380078139942 1.7714234304881644
Y -2.5205546840848099 2.6130401366000422 -0.4350727885526796

Y 0.9914125547176179 -1.8709938146343290 -1.4039918300376557

Y -2.3891165834959276 -3.7190319097327631 0.2156616881189345

Y 3.5063891595049830 1.4599972775821215 4.1991396894545856

Y 3.7489761051858812 0.4048368087109193 -3.0216075515526311

Y -2.0743471201287864 -0.3178674601323468 1.3373263556912753

Y -4.2655948115775004 -0.2733909008743625 -1.5936711142548352
Y -0.3695007088898673 5.2719189256045906 0.1467206192189673

152
 Pt35 Y20 configuration: ∆E tot = 16.46 eV
Pt -0.2684843270778918 2.0940591270869917 3.6791479069694071

Pt 0.3142883422454653 1.9242032059362448 -3.8083337308229335

Pt 0.2910285365734531 4.4670386234653447 0.0796268900001491
Pt -0.3922613321923140 -0.5701601946166055 -3.9715428685350900

Pt 1.5767269057816016 3.2807785232154294 -2.0052050814840219

Pt 1.4521727286030091 3.1972281063270152 2.0704133147713839

Pt -1.0049092252141376 3.1451228343304596 -1.8704027007571666

Pt -2.5625864940754335 3.0191157888600100 2.5592164132627686

Pt -2.2593911935193631 1.2933441308789368 -3.4537701254900388

Pt 2.6587967663183303 0.8214751815158459 -2.8453518678867566
Pt 1.7436964445602285 -2.1044412808057191 -3.7175307844855490

Pt -4.8431214460810335 3.7952544300506483 1.3525667920388320

Pt -3.6904665943295552 3.3519678545871963 -2.2652543803170020

Pt 2.5220324509130299 -1.4211097404375654 3.6460333812828734

Pt 2.2677417605175698 1.2518385966635290 3.8738032788238006

Pt -2.7139568040013167 1.4342221159634998 4.8796092730469844

Pt 4.2153668080716979 3.1455019359623524 -2.0153744643644527
Pt 5.6885426841415470 3.8365445078397253 0.1667761176276163

Pt -0.7943148111217546 -3.3321186526679045 -3.8961629475611406

Pt 3.0000464571069583 4.3893993621328624 0.0670332290856901

Pt -2.4271719023135869 4.3207106065204552 0.0817566926673796

Pt 5.3199293620491428 0.9669003605046576 -3.2577326123899613

Pt -1.7668151110340071 -0.4879013729047012 0.0705434053595059

Pt -1.7535871791278286 0.1769899698834881 2.6673126206907383
Pt 0.4111357468176431 0.5876919161265470 -1.3122723278050945

153
Pt -1.3047313270877927 -2.9407503360040086 4.7996489510674998

Pt 1.1380511167702894 -2.8547752014010599 1.2698219891021003

Pt 2.7008178664340758 1.7337953139702371 -0.0672684745627630

Pt -0.9167193037573753 2.0608501876924219 0.6007470454857902

Pt 2.8007909414141383 -3.6206695451227584 -1.3716728769199078
Pt -3.2586202039420895 -2.8178906910880461 -0.4138059165642630

Pt 3.9122748988801952 0.1032777998977315 1.8472565761847199

Pt 2.7854480858574915 -0.9308768073218787 -0.6058986310145900

Pt -4.1751375065327316 -0.7312344117630389 1.8086919126301371

Pt -3.5955093076820424 -0.5975492226035484 -1.9814910928717222

Y -4.8823007712310034 1.4582383409675903 -3.5674394308519237

Y -2.3013991287275131 -4.7007071771079447 -2.1587387544748897
Y 4.1130962265044921 2.9302114953483298 2.2384039835343628

Y 1.1397568273182421 -5.2403783616200768 0.1234432090386856

Y -3.6481187606567822 1.7385351556829476 -0.0750073110357772

Y 5.3243377649457795 1.1396428604767181 -0.5084245489017587

Y 0.0049381911547504 -0.3767103647146243 4.9051015923971715

Y 0.9930073736694216 0.1598586613234567 1.5758804659575800

Y -1.5997589536872372 -2.6344707942444630 1.9921390240530708
Y 1.5351381754248643 -4.7746255269539573 -3.5494906990853328

Y 0.0114280702716263 -2.1086391077905309 -1.4303294718930746

Y 4.2734363984249573 -1.4969703887355323 -2.9156170564689954

Y 3.9353149560532295 -2.6119166445244102 1.2978952583929251

Y -5.3727571604082485 -2.5337220130040632 -2.0772675629205213

Y -5.1750154557700139 -3.1194552734753018 1.4738729229205061

Y -2.7983864552558391 -1.4085652886663689 -4.4946760684475615
Y -3.4815518927808569 -1.1061946020488480 4.5069071301698553

154
Y 1.2077716875951192 -3.6480379881615055 3.9158000717077801

Y -4.8954248804565648 1.8137455740201864 3.1516147836637876

Y 4.5453839536459704 -5.4676715794463950 -1.0650024440208183

Pt35 Y20 configuration: ∆E tot = 22.15 eV

Pt 0.6807722205065579 -4.5506466308744917 -4.5298210792463660

Pt 3.1368659110088233 5.9761640526410291 -0.0504552165410106

Pt 3.0860220659775734 -4.3438274179841239 0.3490722765324683

Pt 4.3108096155537146 -1.5860141408911721 -2.5736347625455820

Pt -5.2668918934149263 0.8387800962384205 -3.4427457091434506

Pt 0.4843433627213187 1.7381096119170114 5.4513977872453943

Pt -3.7874457820729823 -0.5607684117907495 3.9390743062384113
Pt -2.1527200611182931 -5.1993933449820746 -0.3201049266619951

Pt 4.4922954407228737 -1.1889470315236652 4.3228984516086317

Pt 0.5057578580887728 -4.8455924604960954 0.0726215227032665

Pt -5.5409552027407267 0.7916030170229397 0.6623390032934104

Pt 3.2605738667192732 0.4302360980926253 -0.9020857843997467

Pt 0.0661913208505655 0.3998710261688440 -3.3367060811683849

Pt 0.2879422272910856 -1.0382138365664924 5.6601161627736172
Pt 1.4020446154005128 -3.8182511263656380 2.3013413350494329

Pt -1.1264995358882324 -4.5303837114141325 2.1100418973693809

Pt 2.0684138679021169 -4.9176067870683910 -2.1150106325987710

Pt -0.6162179644719644 -4.6805982141265714 -2.3238568085256621

Pt 4.3548007191043299 -1.9064602965498185 0.0271399061085866

Pt 3.8706632365145084 -2.9005629397520636 2.4142369421040999

Pt -2.9650757518353785 -3.3864105062486791 -2.2737475341819491
Pt -4.3619232910016530 -1.6262385403589636 1.2795315361515758

155
Pt -1.2797909045182170 5.0773927554916867 1.6892064785386174

Pt 1.4804141285256200 4.8603626156439228 2.0887538207882694

Pt -4.1915836654046652 3.2617024178196661 1.1247745126559521

Pt 2.3125498082975677 2.6876328456485887 -5.1722942355872856

Pt -3.6157813701327850 -1.3926403052050889 -3.8257719143057289
Pt 2.3520369429170058 -2.7219955240057079 -3.8554736611008482

Pt -2.4343166455670611 -2.4750124600847228 2.8985007767646640

Pt 2.1889274828311818 -2.4324225186016699 4.4215214258021511

Pt 2.3584422019565814 0.3372477816308520 4.4320752984976410

Pt -1.6115946771932030 0.6496299075967799 4.4291858351363569

Pt 3.3261978456123611 2.7870376059612765 -2.4827013417791917

Pt 2.6652261896638958 2.5625228114418159 3.0368002120949318
Pt -0.2821817657312647 -3.3626927361799996 4.3311835050939544

Y -2.3955382745668778 4.8946047863497428 -2.9807624134477710

Y 3.4190517771902025 5.4278162278310988 -2.5794254506389698

Y -3.5486066966825840 5.7759210252994020 0.4744088324887039

Y 0.1208629303654990 1.5019691369024386 -5.8661390587116014

Y -2.5549581132250676 1.0837021596212639 -3.2192041215012845

Y -5.1842821387884248 2.5447519089618291 -1.3527428811885127
Y 0.5533497087287572 0.6613199767072641 -0.5387557754590457

Y -0.0637877829492944 2.6386892140350131 2.9484767896163206

Y 0.6631035303816909 3.1831036066473581 -2.9579897031694684

Y 0.0979079726266154 -1.0717697978385408 2.9753711812491477

Y -0.7492397976191559 -2.3250270632013432 -3.8209353573376510

Y 2.8519705182195803 3.1849223158823845 0.2936793124606962

Y -1.7807164285696739 3.1636573383943127 -0.3044441811808201
Y 1.8633518954410055 -2.4218903173434505 -1.1241220884088847

156
Y -1.8103431536319867 -2.5863995088318443 0.0969960530435257

Y 3.6415486971417517 -0.0784282679652596 1.9574531945252345

Y 2.7849476550554129 0.1605651153044775 -3.8586941064658435

Y -2.9503063503013820 0.6445569637518814 1.7322378895871207

Y -4.8350296353830187 -1.0923102036349785 -1.3654062940787546
Y 0.4184012694920617 5.7766316808817981 -0.3474051261469893

Pt42 Y13 configuration: ∆E tot = 0.00 eV

Pt 3.6541784207424004 1.7760472575935815 -3.7074699109744396

Pt -1.5890812355432784 -5.3921335692371590 -0.9531084828625457

Pt -5.0855532000382899 -1.9493166185993596 2.4507352577049151

Pt -2.2890819423955322 1.2677377329843698 -3.4725470914202354
Pt -0.9492965112995649 2.9749965586748477 -4.8754627848580681

Pt -2.6322819794154788 -1.0783757469782456 -4.7216862819394096

Pt -4.8035707807064121 0.8038089127234340 1.7606669406346731

Pt -0.7027151500530887 -4.4938073987580873 3.2640497873232857

Pt 0.4549714187536170 0.4945600272029378 -1.1247337379358047

Pt 1.5299771171999548 -1.4486968098623281 0.6140921853112001

Pt 2.9427216819541555 -5.7418796429523118 0.0753598189446013
Pt -3.4432787270274940 -0.7002836429534216 -2.2691139472378872

Pt -3.0056443505552513 -3.1224205591737584 3.4109562046559518

Pt 4.9538578046414523 0.9961391390358634 -1.2855066101203458

Pt 2.4171586508342986 4.3788744402911659 0.5821603496587101

Pt -0.5523532680383144 0.4198354977108523 1.4224791328191462

Pt -3.5145523733303059 2.9577101617733068 1.8629063340893655

Pt -4.5763932148810191 -3.0608440511835302 -1.5142940440424704
Pt 0.2585235279583568 5.0077654508304876 2.2399908182317025

157
Pt 1.9789635027326811 -2.7693148710283269 -3.8797355352169784

Pt 3.4514817414408721 -1.1478129942317554 2.5265782312764209

Pt 3.5561678404837687 3.1908722798268827 -1.4781922844859119

Pt -1.9101492072781241 3.6438534646364951 -2.5082439896451243

Pt 0.4398992867887438 2.6544320653833342 0.5119752889909109
Pt -0.8236193243267868 -2.1296672311776974 1.9933006101400041

Pt 3.5923183572436170 1.2242905770494092 3.6191836844378078

Pt 3.3341632062895790 -3.4560983725292540 1.3022216070967503

Pt -4.2622450403966630 -1.0608264252112629 0.1361892816031017

Pt -1.0089153047349342 0.4575551957724244 5.2754570491505293

Pt -1.6227421812667355 -1.4262105398423521 -0.4202186499429680

Pt 2.5729196055159655 -0.4989610956018431 -5.1181708450189314
Pt 1.4066284101991577 1.9363833107904640 -5.0665040801333232

Pt 1.5035425347637839 -2.9949190422570156 3.1894074688038847

Pt -0.7899606896266996 -2.1118682953582222 4.6434768051748119

Pt 2.1524337847105133 5.3904946578539539 -1.8502941182048438

Pt -2.7978924183289560 4.4265668113017149 -0.2644700390815772

Pt -2.3626572032190096 5.2971088211388233 2.2068229230896783

Pt 0.9520338677795371 2.2760596853224198 5.1034254663050644
Pt 0.6353228671592371 -4.6169885408331099 -2.3396610049650759

Pt 4.2230251372474212 -1.3523718676050753 -0.1475422741408766

Pt 0.4910934004962265 -2.0489397054105178 -1.8772924287632786

Pt 1.9983773732510075 3.1124620439824811 2.8282799214505649

Y -2.0057860113877592 -3.1658961930987606 -2.6753875547101105

Y 3.2754079316354914 -3.7147287309900681 -1.5783617261787668

Y -0.0525582711783930 -0.2470812910668856 -4.1471089893108593
Y 1.1313594204438919 -0.1141561459772118 3.6803351401059086

158
Y 2.8845871404380135 -0.3864737976070651 -2.4076030029552227

Y -1.0152684490429174 2.7465356452585996 3.1577475873961198

Y -2.4171200649537838 1.6004080524401207 -0.4504599385522398

Y 3.0158923874777908 1.3259218662536132 0.7623117308256716

Y -3.0644669132992717 -3.6844785188434739 0.7266593669439142
Y 0.5685745413850788 -4.3389707251467540 0.5879819428063576

Y -0.2643510337219147 5.2980308197131540 -0.3849531374343557

Y 0.9418021351595537 2.9029292737468930 -2.5741342408046490

Y -2.7758482486801852 -0.3078573257767709 3.1575057959652497

Pt42 Y13 configuration: ∆E tot = 1.49 eV

Pt -3.4846919097761666 -1.0726173983167753 -2.8188808435112547
Pt 1.0624322026172195 -1.2710670770005317 -0.6762377110447061

Pt -5.3639481686616053 0.0654068666923089 1.0865390094258172

Pt 4.1380875242856741 -0.5862396667100747 -3.2206517726646933

Pt -0.6691173899979633 0.7450362971154680 -1.2522972325652244

Pt -2.4294273878661099 1.5108164385262892 -3.0783552818019153

Pt 0.1544218291671491 -0.4482923296623653 1.7203550001550085

Pt -2.1457223453100069 0.7565427434072811 1.1830773576894744
Pt -2.3577576959670234 -2.7989680457176807 -4.4102067557984430

Pt 1.5212969006042212 -3.8679754453121511 -0.8999298141731370

Pt -1.1167072510184715 -4.3744818504858394 -0.1563322672766833

Pt -0.4731863874661061 1.6187979167376891 -4.9984720396430973

Pt -2.6412303360206972 -0.0435494099234867 -5.1753888388595444

Pt -0.4975519132251668 -2.6495218818912916 4.3218630670182128

Pt -5.8299403373584786 -2.5164850947629551 1.6689809399497677
Pt 4.7873288138966297 0.6840713182818097 -0.9641192795082317

159
Pt 1.9137669818358785 5.3323142376900137 0.7562796533443500

Pt -4.1797814813898020 2.4673950046794788 1.1946284799604650

Pt -3.0991464476964743 -3.6493842902201177 -1.9386492473357606

Pt 5.4499297436400935 -1.2667186368417704 0.7615654292156343

Pt 4.1025993805732650 2.8397044754196563 -2.4118053258907279
Pt 4.2132469185486903 -0.0331115244059079 3.6516741085889484

Pt 3.4441049708505109 -4.3375041216482426 0.8294347261594913

Pt -4.6349784455893968 -1.8420779651395440 -0.5936366138917845

Pt -1.1797510933660218 -0.1952825730842953 4.0490046378368572

Pt -2.6292186996549414 1.9140943975628550 3.5440888221884688

Pt 1.9431373046468645 -2.1516804809964416 -3.0606414598777345

Pt -3.7999545782926307 0.7689769144999090 -0.9514345338028755
Pt 1.8942333426000311 0.0973967995348027 -4.7396518939237566

Pt 5.1475527398236585 1.5596631814338275 1.5575163140824149

Pt 3.7887999161039421 -2.3931291462633775 2.5204982511140424

Pt -1.9016810425087607 -3.3993930958991170 2.2395178681521832

Pt 2.1195028687399473 -3.0748815646130154 4.4550599201819701

Pt 1.8117723227156024 3.9527411370148240 -1.6184871688301641

Pt -0.4415292466405922 4.7718128986851536 -0.4121888516009270
Pt -2.3255015193646300 2.9718073026641765 -0.7825534795405006

Pt -1.6595405307165956 3.6822206037116127 1.8187426959015589

Pt 1.7381418066602470 2.8631760245415045 -4.1336998920283428

Pt 0.1049808179011860 2.1152282933402691 3.4019568908918334

Pt -0.4287358200096551 -3.4649746977736600 -2.5994153235642292

Pt 2.6969559218945176 2.3198126846262648 2.6042122789674158

Pt -5.1570281816137697 1.2839919392221826 3.3871861895498254
Y -3.6101261001846701 -1.1108392017241222 2.8132377888854858

160
Y 1.6292794764190039 -0.4010898232662993 4.3038541484303074

Y 0.9872456468756953 -3.1771675801296393 1.8696069441320016

Y 0.6832022278622801 4.7087692949674267 2.9955174710054688

Y -0.5197167246724247 -0.8642196266336200 -3.7048884904955059

Y 4.0317216590306151 3.5639515168207652 0.2437355963347591
Y -0.6517794356531207 3.6699763700679702 -3.0795353574719471

Y -3.9760425476030110 -4.2974852500965142 0.6630353397004775

Y 4.1266178163228266 -2.5117085329102453 -1.1883929517362626

Y 2.9607668466846273 -0.1124749775232185 1.1441894505501633

Y 0.5062698704342811 2.4137762267208132 0.6158857704398507

Y -1.8335195641219213 -1.7288480776093076 -0.3234149521001272

Y 2.0799167310115592 0.9636884825972594 -2.2119767709146760

Pt42 Y13 configuration: ∆E tot = 2.19 eV

Pt -3.5773527645587744 -0.9842417198763995 -2.7992669846902545

Pt 1.0713058785218470 -1.3351129526586167 -0.9435900815238594

Pt -4.4866391358817088 0.1615120949817597 1.5990111631181854

Pt 4.2568846830767759 -0.3368364659014784 -3.4576047365239648

Pt -0.6146891167667338 0.8156113482481897 -1.5488513903264665
Pt -2.5006341688810143 1.5734303117444728 -3.2206910787230298

Pt 0.3539976331118378 -0.3182956881469174 1.4251784795681985

Pt -1.9454545129635146 0.8777730531588215 0.9090512736376899

Pt -2.3673247567550182 -2.7358538748471708 -4.3873830028982841

Pt 1.9040827734227004 -3.7741176880005116 -1.1359858874603213

Pt -1.1808649940531937 -4.3223779286521005 -0.2163380913686839

Pt -0.4939298751882570 1.6463014118419410 -5.0469561371474665
Pt -2.6744411876869871 -0.0745988760055722 -5.2181112010177984

161
Pt -1.9625118340753027 -2.0129696481445687 5.5077834634762990

Pt -4.8122171997107337 -2.3056705083425206 2.3151614328702039

Pt 4.8048753977887646 0.7742695432442199 -0.9978121652366856

Pt 1.8702593958237608 5.2109072586910328 0.8071599740178252

Pt -4.1431089482181589 2.6891689301148651 0.9715257218000806
Pt -3.1346004055974617 -3.5388746370653892 -1.9688953006977779

Pt 5.7438689940486869 -1.2134576831629007 0.3912735204155099

Pt 4.1012209532291903 2.8860796925086656 -2.4388947147716826

Pt 3.8481308456414856 -0.0959830818873251 3.7824523383067650

Pt 3.6761570121552345 -3.4512232826643676 0.8849537339469451

Pt -4.4844232996405928 -1.7312111321290733 -0.3369669914467608

Pt -1.6378326459155095 0.4739455011790417 4.9895190103130567
Pt -2.9983651640599702 1.8811178211753548 3.2229429229312170

Pt 2.0730851127660861 -2.0394999358082182 -3.3199452826099098

Pt -3.8741773965376383 0.8999311373681420 -1.0076801525711396

Pt 1.9497351129151004 0.2504109423281295 -4.9001529388810816

Pt 4.8985797209240074 1.3127008249319891 1.6856034897265089

Pt 2.7144461178543060 -2.5381805230405328 3.5636412917455571

Pt -1.5237723402164778 -4.2333916317187725 2.4499919463521080
Pt 0.1682254923720393 -2.9728201217727590 4.2848476245597880

Pt 1.8204416294590549 4.0433676132124354 -1.7086945004325298

Pt -0.4606925957640357 4.9435968415693079 -0.5400261072647494

Pt -2.2789676261949672 3.0650720226754555 -0.9900361717339863

Pt -1.6703171958113194 3.7666762635158522 1.6979220188547288

Pt 1.7154599081012143 2.8825016170931836 -4.1683048817734409

Pt -0.3285842111769059 1.7856330426260933 3.0829255969947154
Pt -0.3274498413711435 -3.3910090358966047 -2.6233577457847006

162
Pt 2.3617785265743554 1.9044357381799581 2.4974405800079058

Pt -4.0617033980141128 -0.4665897502192211 4.2335260745644980

Y -2.0477717075050639 -1.4734651109703603 2.8214507558972550

Y 1.1076919152490983 -0.3627553215183525 4.3331231548931726

Y 0.9040840774715196 -3.2750876789433829 1.5215036976497680
Y 0.7930200476301376 4.2955914793581993 3.0680766353329543

Y -0.4229326952217884 -0.8779615435393888 -3.9366948278149425

Y 3.9203462629709787 3.3901821983116749 0.3125425271669552

Y -0.6782266183332583 3.7842300959876769 -3.1703070725723026

Y -3.7731168983004442 -4.2616821515230274 0.7317128834788120

Y 4.3932456383366238 -2.3559425486361687 -1.6368696532904121

Y 3.1451078821252758 -0.7355665935489279 1.1907679490067220
Y 0.4667128375666270 2.5315992401588638 0.3469812914146055

Y -1.7573100304727443 -1.5786213336043151 -0.6422158215885834

Y 2.1566687157361266 0.9473524240196116 -2.2664376318972219

Pt42 Y13 configuration: ∆E tot = 3.27 eV

Pt -1.0775540997029271 -1.5482053296026081 -2.0498141265883758

Pt 0.3559810305033342 0.8350293421869845 2.7463984845707601
Pt -2.3585751909871893 0.8469961506810111 2.3332549282395632

Pt -4.2160771962838082 -1.7725827098315192 -0.2854287897421158

Pt -4.6862129217269057 -0.2330248726124844 1.9760036954884017

Pt -5.6379496007679117 0.5617448599064785 -0.3771215142710568

Pt -1.7490227024511180 2.0218607733637799 -3.3242306449768115

Pt -0.6621237260409070 4.0014872525938001 4.6946650616001593

Pt 2.2479831327573083 2.4076620924696095 -3.4797781389610893
Pt 1.8145163702134981 -2.7077899031866406 4.8437847670697005

163
Pt -1.9415280716440100 -3.1586268224043716 -4.8166163495589140

Pt 1.4557408059004426 5.0888536503985886 0.2274132373177203

Pt -2.8378180912453552 3.3257150492297241 -0.9467584265888932

Pt 3.0063172185737499 -3.3394127502314626 -0.2033015129962951

Pt -2.1042791543752517 -3.4076659248904915 -0.1542456269527862
Pt -3.1700212572802724 -0.8733230663520239 4.3152448807876818

Pt -1.2321887380465217 5.2543136187646979 -0.1831182161815665

Pt 0.5173567729303692 -4.1934567200872870 -0.2010397001012124

Pt -4.1844235937412009 1.5529328207409745 -2.3532035239801692

Pt -0.9602529595774112 -0.9607250430900378 -6.2372813706544372

Pt 0.9048448429782636 -0.0145138231175408 5.3861937208556503

Pt 1.8206661980095007 -3.2061960641903169 2.2364879657541517
Pt -0.7781074695306682 -4.0086022307845255 2.0369073621625362

Pt 0.4588744849924773 0.5740841300039388 -2.5512380395784255

Pt -0.3860840183764973 -1.4770817792787496 0.7795291523596636

Pt -3.2883647401358780 -2.8681257837089773 -2.5128348842137980

Pt 0.2821594403086152 1.1462477909734234 0.1021323988113466

Pt 1.3648604842587064 -1.6429479313155304 -1.2178265688631200

Pt 2.1064732021243757 -0.5228930124677063 1.1923200158891227
Pt 4.9579541239539582 -1.5395831044161423 -0.6824404497205087

Pt 4.2197396414403006 1.9662917260297950 3.3868782864659508

Pt 2.5058945501176351 -0.1253791759121072 -4.3160758876980809

Pt 4.6730996432142886 0.2552201637672358 1.2548659637228032

Pt 3.4246799021158627 -2.1586305071627572 -2.7903344731151893

Pt 4.3115740342755480 -2.3099778035077825 1.8276565262544124

Pt 4.8306972812208739 2.4771255716719454 -0.0943238859215195
Pt 1.7790303514369945 -4.2769923839414634 -2.4660565821436897

164
Pt -0.9101622153992495 -4.1776058354417085 -2.4996544621524581

Pt -5.1596903764375703 -0.9404099520328137 -2.6243253606896477

Pt -2.8041520258445449 -2.1403028225064085 2.0139523059286830

Pt 3.0378908087957890 3.8643645678632015 -1.4681276786394719

Pt 1.0659433869996902 4.6854764304627441 2.7776293893622546
Y 0.2034711909661311 3.3734440452947276 -1.6664036188925417

Y -0.9973373713276754 3.2935948719687342 1.6849532552138775

Y 0.1772812165442679 1.2825656814162660 -5.2640788606929201

Y 3.2697717571338765 0.5608048569982955 -1.4657451357357669

Y -2.7540645764174854 -0.5088310025488130 -4.1011390617919394

Y 0.6326576535448234 -2.2478037253725573 -4.1802840699101180

Y -4.5113820234092259 2.4444900312536477 1.0508753773303077
Y -2.4303561267656266 0.3627641455400883 -0.5680121833535915

Y -0.5047022305894091 -1.8371804952537265 3.7273784665713467

Y 3.2233463823970934 -0.6268195360486630 3.7340249135514028

Y 1.7211768919928276 2.5770212698687156 4.5833504714651134

Y -1.5233974362727125 1.4192839115138227 4.9193240627512180

Y 2.4958451146767335 2.6453153063349895 1.2496144551426747

Pt42 Y13 configuration: ∆E tot = 5.15 eV

Pt -2.4635532856652929 -2.6378304831827508 -3.5550920473643028

Pt 2.2672885795361748 -4.2164709486308034 -1.5115764765574804

Pt 0.0066112216125075 -4.9973572484135733 -0.2467761283189204

Pt -2.9046760152237803 1.7729401066069899 -3.1253703987321515

Pt -0.5468780766345945 1.3447525555353625 -4.3382397267659938

Pt -2.5810118528029489 -0.2641076624216486 -4.8008146314925098
Pt -4.9073277421060295 0.2640199329390522 1.4634635284471091

165
Pt 1.1032462628825781 -4.3535430172119671 2.2513643304780908

Pt -2.5057466332745730 -2.2808665898509020 3.8624674759492930

Pt -4.8945470113555958 -2.1076545143126157 2.4951862789095136

Pt 6.0764943503707967 1.9680459336859533 -2.6803686322500297

Pt 4.8472521005614349 4.0706032634987430 1.4271686288528072
Pt 4.3977269475497742 -0.2189470377598400 -2.9727135273411855

Pt -4.7447061631249179 2.8880781034786365 0.9321694370999004

Pt -4.7720360196218641 -3.3843814497376341 -2.4770243557113059

Pt -0.1823783912305540 5.2372342615080303 2.5454731623495714

Pt -0.1293801761423049 -1.5737196052715368 -4.3879634828705010

Pt 3.6811813001995213 -0.9277126499867718 1.1527193871367425

Pt 3.5750912109006596 2.3117361797506897 -3.2370599503987192
Pt 4.2808357896395899 3.0311476731041003 -0.8783472318239268

Pt -0.7433457991619136 3.1499543006351232 -2.2668477951507224

Pt 3.4561402221581372 -3.5690540985076513 0.9448141557732420

Pt -4.5765866368601751 -1.8462498562888714 -0.2963194912616601

Pt -1.2704843188908532 0.1640310505616080 3.7445225603119368

Pt -2.9352124042231185 1.8356536645278354 2.5505105255389675

Pt -3.7371577151723900 0.7550765108364843 -0.8085487248280269
Pt 1.8094188493099586 0.2542081493264671 -3.8880139044972202

Pt 4.0149248824710178 1.6294878080527637 1.6497826970281988

Pt -3.9431952104873269 -4.1442518197516369 1.2585368620466104

Pt 2.6747748585615074 -2.3245291402236008 3.1464506755953412

Pt -1.4329805266390452 -3.8956840323708004 1.8331044022803473

Pt 0.0553589072988717 -2.1740323589087600 3.4342824255601325

Pt 1.6026336498475426 3.3847633285308474 -1.0851899402304399
Pt -0.6363404476055322 4.6184524650626972 -0.0035761267586673

166
Pt -2.9964085339730571 3.3376294373112323 -0.9435950407640065

Pt 1.8387793976423976 -0.5139141244301657 4.9228211426073960

Pt 1.2968230387943891 3.0771438289981754 -3.9101527386314352

Pt -0.4237843513575269 2.6154452282088272 3.1159781008545444

Pt -0.1187447883120608 -3.3700029248709864 -2.4075276126528360
Pt 3.8259980281952002 -2.0728350783992342 -1.2226391815783968

Pt 2.1974684630298289 2.3839761280520584 3.8480574588772494

Pt -4.0757608380638279 -0.1672266827077966 3.9935092752239214

Y -1.2124293643932023 -0.3711230786476192 -2.2298419674973360

Y 1.2433751518574450 0.3010364424101592 2.4244992912642669

Y 2.3862598702683919 0.7253610567297561 -1.1647962541877774

Y 5.6338000435108233 0.5399098159120614 -0.4711960222274020
Y -4.6156308698506558 -0.7124788048980302 -2.9904564322243372

Y -1.0190429106435011 2.0132476243922870 0.4165913064753300

Y 2.1623680746366749 4.0135203532483930 1.5647573881837715

Y -2.4242528532542935 -1.1475501002841428 1.4684249985617344

Y 4.1825710458681913 0.0848966287857966 3.9081660124423729

Y -2.5200950244777363 -4.0777341636031608 -1.0032356247933025

Y 2.4602723105373552 -2.4273956132941708 -3.6268730992159428
Y -2.7534140729917183 4.4999909030918461 1.8909064849152140

Y 0.9904134762996156 -2.4956896508153097 0.2844285533629335

Pt42 Y13 configuration: ∆E tot = 7.97 eV

Pt -0.2751496347246478 -0.2793020770867221 -0.1572416520045265

Pt 0.3038135363414827 1.0696835554678106 2.0992185019198897

Pt -0.1605185143881344 0.5151757913244055 -2.7169695055608396
Pt -0.3359147633220187 -1.8567681782697087 2.0760390925665990

167
Pt -2.5743261633955443 -2.6769572316709382 -2.7032812467617773

Pt 0.8417691252059974 2.2419380106890037 -0.2942499621598286

Pt -1.7921831029815163 1.8743405087412868 0.3902954602653577

Pt 0.8430573042691175 -2.1268709814792173 -1.5622883641481804

Pt -1.5062539645683373 -2.7888442815948773 -0.2459354762975711
Pt 2.0376644322251902 -1.1680348922759671 1.0227614420430429

Pt 2.1419656391106212 0.1527307199135042 -1.3466884913717692

Pt -2.7217440999639875 -0.5789375827811225 1.1708239554442861

Pt -2.5875101694033393 -0.0742549001312065 -1.5773236530360959

Pt 0.3840353850880601 4.8699557408114984 0.0783153971713316

Pt 1.2055296836622378 -5.8824639211407330 1.7369009742723842

Pt -4.7164314049117619 0.7848132710991707 -0.1333900395826608
Pt 4.5222765001132919 -0.1431296060338745 0.0054781442716044

Pt 0.5460525054549495 0.3167773566114314 -5.2389112750107349

Pt -0.3344269813467945 0.5098482070727066 4.7026021755020322

Pt 1.9706372375165762 -3.4417157241910141 2.5653496716370445

Pt -0.5286386459854703 -4.3497787554942571 3.2225866972821842

Pt 2.0877493562184859 -3.8230108706289130 -3.1898134912232341

Pt -0.2930069066603051 -4.5005096528593196 -1.9626502111339972
Pt 3.7316530942939368 -2.1971536930420301 -1.6420620467627314

Pt 4.2312569464526115 -2.6505386657019478 1.0743255864112411

Pt -2.7634552418304947 -3.1163110574441539 2.1577305055334128

Pt 1.7772521921830258 3.8417235758048172 -2.1713943210158120

Pt 1.3448140990228317 3.6434913546025105 2.3106281773121835

Pt -0.9601788301107622 3.6681612693715344 -1.9086167810188106

Pt -1.3110166018644209 4.0262022453804036 1.9969101912547031
Pt -2.3008847459889754 2.1320741099371752 -3.6411068567731779

168
Pt 2.4575080317010531 1.6054416232683273 -3.6538339937632593

Pt -2.3729124096979435 -0.4404689154117720 -4.2530732423708004

Pt 2.4896109183461896 -1.1659597533456079 -3.9056913843755203

Pt -3.9493890154455435 3.0292974044473859 1.4079917074172814

Pt -3.5429227487924377 2.9012170865874740 -1.3970097209221499
Pt -2.4649589060136572 -0.8861390965893310 3.7969862893080184

Pt 1.6290960008118414 -1.0455041659209099 3.7763047674218755

Pt 2.1685826383775506 1.6006186048149578 3.9618537357015184

Pt -2.2230327296289438 1.7967613028845817 3.2017967118351853

Pt 3.8077050150989580 2.2196432712788923 -1.2819022114133289

Pt 3.0992527354524411 1.7596322957593105 1.3671870402645754

Y -4.6822707476934342 0.8638542918116594 -3.0200000326940448
Y -0.1914730634880434 3.2152987279745293 4.5067771764833457

Y 0.1640742159324136 2.9864999355623132 -4.3794004356868603

Y -0.4573011263963806 -2.3721838791307714 4.9669693360145990

Y -0.2044320679399831 -2.2234482325587868 -4.1146409458235800

Y 3.1173054731698731 4.3532767317302579 0.3247186976651427

Y -2.5268262631696032 5.0872641063866872 -0.1622487824998246

Y 2.1490471981817563 -4.2171680482801595 -0.2185891337735454
Y -1.2322922765006812 -5.2574026892138761 0.6803717113823956

Y 4.1081428826172033 -0.3990684237516386 2.8300361990946206

Y 4.7061498314607162 0.0757548708305717 -2.8380937781880298

Y -4.6448461307495998 0.6585301878551746 2.7134894365028432

Y -4.2117047213456518 -2.1380808819905290 -0.4280417466060055

Pt42 Y13 configuration: ∆E tot = 8.09 eV

Pt 0.9378526357888413 -3.5772766847879449 -0.5059415343422532

169
Pt -1.3879069675342992 -4.6833563504244253 -0.6010704950700153

Pt -1.6168771132069459 -0.5266768611590964 -3.5790363058178483

Pt -2.0683531756215396 2.0374205924155460 -2.4921068474823547

Pt -4.5564187737226058 -0.2958951350692474 1.1491661700533062

Pt 0.3724153553385834 -1.2711865021950930 1.8741698068581503
Pt 1.1004467683409567 2.4668044787996526 -1.8710069756652263

Pt 1.9510936717891727 -1.0405994879510703 -0.4555923275194013

Pt 2.2220509411893703 -3.2835889313770616 2.0536443245282192

Pt -5.1514865029618884 -1.8660786040316106 -2.9770496592898055

Pt -5.1580725320926399 -2.6495856758948486 2.3530301682775394

Pt 6.0219732927058542 1.5943417922549405 -0.9756000145765312

Pt 2.5958034846585161 3.6959934560035181 0.8610794309171305
Pt 4.2619135239712973 0.1532215063431626 -4.1711046975937309

Pt -1.5365150881316867 0.5103313093023407 0.9741377096693203

Pt -3.5791815842471948 1.8650944623664134 -0.0257710194232735

Pt -3.1477874966979318 -3.2080970502373276 -1.8006304166396969

Pt 0.6174280113940511 3.5217505132669502 2.6623857673452958

Pt 3.3951531955470062 1.2981912597506635 -0.3319401104074134

Pt 4.7591385774502601 3.9927003989246086 -0.6197371434243887
Pt 1.0651361996508337 1.2414377401056018 0.9028698459253363

Pt -1.1155496420677251 -1.0448084245546589 5.3185093861935799

Pt 4.9475026568215226 -2.7480303634154497 1.6531179679419745

Pt -5.1581287245370318 -2.4867094115945489 -0.2507716980039972

Pt -3.3776703928776257 1.4142185813396109 2.7897325610068493

Pt -1.3640258434521517 -1.8967808230075403 -0.1670228501140719

Pt 2.1561198641063948 -2.6063543263279021 -2.6840393547258103
Pt -3.4483554111995973 -0.4759241739699329 -1.2925037390217460

170
Pt 1.9164110732449882 0.1214148165233631 -3.0581988172653705

Pt 5.8896754764703791 -0.4055963552405404 0.8696637296739395

Pt -3.1571015688129460 -3.7597389184500667 1.0819569623204317

Pt -0.6029424402707824 -3.7674915895057204 1.8922952692715969

Pt 2.3035628325523931 4.8101787142252963 -1.6265153532420111
Pt 0.1263295410385224 4.1422876284739196 -0.0021761576189637

Pt -2.3801903792404957 4.0499169077024755 -0.8994636321546664

Pt -1.7561560209995319 3.1375370292686031 1.5594005971785498

Pt -1.6946850539803366 2.9465189693549907 4.2304370984659441

Pt -0.6138653036282593 -2.9604666963846560 -2.7633269255434736

Pt 3.5194587707438680 -3.2066014672165357 -0.3900655339845321

Pt -0.2052761273236554 0.2112780448349685 -1.3846567331286428
Pt 2.8950711052257931 1.9966741464430007 3.0029836031866606

Pt -4.9275613594533736 -0.4425463426474796 3.9323956937392901

Y -3.0249832777154300 -2.7872436198041299 -4.3791700873717270

Y -0.0666816236378144 1.6432989674529808 -4.2513137555183391

Y -4.1882240029587967 0.6816677220436509 -3.5120326903120547

Y -2.5496632577939398 -1.5974577353422978 2.7741961840884009

Y 0.7442841439985413 -1.7889764324073074 -4.7408367101361861
Y 4.6516581062150477 -0.9343767022116076 -1.6362230563595155

Y -0.4037633608138426 4.8109114107719613 -2.5181391322155640

Y 5.2426077623750365 2.2526317413061232 1.5854683931892573

Y -3.1474449726786249 0.8334601636601568 5.4250310059632492

Y 3.2482528133177420 -0.6111629596402068 2.0579617776112102

Y 0.5830734282365737 -2.9773223452046613 4.1228327388014341

Y 0.0569852680181303 0.9503605322607689 3.6346512234761810
Y 3.8034694974690164 2.5202870848577019 -2.7980736417142347

171
 Pt42 Y13 configuration: ∆E tot = 8.73 eV
Pt -0.2910680590412543 0.0049336064798115 0.2288577051260414

Pt -0.0916904341716518 1.2889868288473738 2.6251316683045309

Pt -0.4117998897370901 1.7760310899350422 -1.8082665373760369
Pt -0.1779638582952541 -1.6365151219128125 2.3169221373776057

Pt -0.0434656060646117 -2.1633389197506991 -2.1159806641866603

Pt 1.1941335844212886 2.2522702877826730 0.3529098786661569

Pt -1.4630370277244533 2.8500201071953732 0.6869432988934030

Pt 1.6008369017389810 -1.9771635641971432 0.0800118697348686

Pt -1.8208879309124177 -2.2761132762714409 0.3062025399676844

Pt 2.3315467045257101 -0.2090964333090995 2.2945682215729613
Pt 1.6055672301066957 0.0404512824704478 -1.7012591136116788

Pt -2.5964833772475715 0.0786256036066230 1.5094050549271893

Pt -2.2801717694281600 -0.1494850791642293 -1.4263116312875932

Pt -4.3899222756544667 0.1550072656429452 -2.9688902412690052

Pt -0.6630973830594127 1.9586079531959726 5.1621001188170190

Pt -0.4328178387618729 -3.0818557438106309 4.5140849876621481

Pt 3.0029828272844128 4.2595619175299344 -0.2592193613517211
Pt 4.7072024291954726 -4.4617181238484189 0.1711108022859819

Pt -3.2684466479410568 -4.5466902298548337 0.6726518512462205

Pt 4.1566314698651210 -0.3038912883867574 -2.6939997860153215

Pt -5.0028071351594203 0.4064584788681310 2.4918774061281757

Pt 0.1995941397150909 -4.3709102784338159 -0.6558286955443891

Pt -4.8564992178825506 0.3712381856041186 -0.2751119933258839

Pt 3.9682592143985995 0.0116191276797187 -0.0326681691461304
Pt -0.0635612136402873 -0.0684997324907331 -4.1382181167122924

172
Pt 0.8042377926954773 -0.4321056467628869 4.6378517834661039

Pt 2.1631931790568122 -4.4370542772187491 1.1708940216570383

Pt 5.0261386993362276 -2.1931675043400007 -1.1328028705411060

Pt 3.9857953376059330 -2.2924303963274371 1.4651650998484225

Pt -4.1669601204188975 -2.0844002409310205 -1.5436578010641793
Pt 1.4203138240783511 3.5937736462255665 -2.6704489540813321

Pt 1.8219516254493096 4.2773468913284827 2.2387421169714146

Pt -1.4809957027507310 4.0846623107703959 -2.5587108668976604

Pt -2.2182312554286985 1.4529917305005458 -3.8504672088817293

Pt 2.2846348388659803 1.2942700329478591 -3.9700112670948964

Pt -2.2923193427354032 -1.6926355155096138 -3.6575630799975145

Pt 2.1590084358268808 -1.6394182493716505 -3.8717553450713429
Pt -4.0592917704424956 2.6055109333993167 1.0510609418125527

Pt -3.4020735472353132 2.3613132233187613 -1.6128328732481452

Pt -2.7905386397746565 2.1106096895120432 3.3845182614781204

Pt 3.3874740933705283 2.0651601547866432 -1.6123487897082083

Pt 3.6097179185578501 2.2144784346863831 1.5773742835820028

Y -0.0092673277031304 2.6739458677500640 -4.8075099222073590

Y -0.1099751848437376 -2.5837539431899961 -4.9750068884375684
Y -3.3797165097019026 4.6754882458393023 -0.5035983091362646

Y 5.1583321784243346 0.0410691854331414 2.2522961018142129

Y 0.3082170801122381 4.7686813626014164 -0.4551127290160972

Y -0.7457767676432501 -4.3905965988882834 1.9555676353513689

Y 2.8239090354493999 -3.4814750752423036 -1.8274687612120186

Y -2.2667280440860691 -4.0287616817312815 -1.9144048460128256

Y -4.5073495336794949 -2.0051125434225359 1.1980831611652991
Y -0.7448509099579366 3.9999769759448696 3.0887829910751194

173
Y -2.0059757035861545 -0.4399972290748223 4.1656557997228072

Y 2.1788536327064150 -2.8294481011641173 3.4550337056355578

Y 2.1352378519222919 2.1025443747223655 3.9856513781449485

Pt42 Y13 configuration: ∆E tot = 14.59 eV

Pt 1.0677478942945753 -0.0000000000000027 3.3746346828211111

Pt -0.2746069546770655 2.4011950639008677 3.5803594157593972

Pt -0.6326796902123595 1.3314084817928511 -1.3743587179668333

Pt -0.2746069546770655 -2.4011950639004782 3.5803594157593972

Pt -0.6326796902123595 -1.3314084817926606 -1.3743587179668333

Pt 2.6593225291754599 2.8498000580086105 0.2537665190041400

Pt 0.6034764549705518 1.3431836062838722 1.0745466162979638
Pt 2.6593225291754599 -2.8498000580086158 0.2537665190041400

Pt 0.6034764549705518 -1.3431836062838807 1.0745466162979638

Pt 5.8285869710810525 -0.0000000000000027 2.2025713553250972

Pt 3.2794955088787474 -0.0000000000000027 1.4895238935224240

Pt -1.4165286156709838 -0.0000000000000027 2.2369460236953449

Pt -2.5060703292546056 -0.0000000000000027 -0.1062415751577833

Pt -4.4246505995730478 -0.0000000000000027 -2.9076026186858153
Pt -0.1523407475310055 2.5338853001918862 -4.3033334093538809

Pt -0.1523407475310055 -2.5338853001918915 -4.3033334093538809

Pt -3.0482838776967314 4.1546140173536878 -0.0861973598089730

Pt -3.0482838776967314 -4.1546140173538966 -0.0861973598089730

Pt 4.6833822112957613 -0.0000000000000027 -2.2323522164664009

Pt -5.0680460697707934 -0.0000000000000027 2.3075206497035854

Pt 0.2115716657212563 5.6768578366807727 -1.5164347495850243
Pt 0.2115716657212563 -5.6768578366807780 -1.5164347495850243

174
Pt -5.1954508867809057 -0.0000000000000027 -0.3782617996755036

Pt -0.0026338974664577 -0.0000000000000027 -4.0281077893466479

Pt -2.4409775099364368 -3.5825283438729834 2.4228167797516029

Pt 1.2234219264718542 -3.3395039177821619 -2.2352680428801213

Pt -1.5802614378245481 -3.6397491646719669 -2.2714296215446650
Pt 3.8733516181878929 -2.6775015657044401 -2.2060108495058275

Pt -3.7127769862111575 -2.0753572790586805 -1.5272779097446445

Pt -4.0100177150109024 -1.9835234014575747 1.0945967636724754

Pt 1.2234219264718542 3.3395039177823493 -2.2352680428801213

Pt -1.5802614378245481 3.6397491646719584 -2.2714296215446650

Pt -2.4409775099364368 3.5825283438727760 2.4228167797516029

Pt -2.3349004499849060 1.3441769212662642 -3.6486324173432765
Pt 2.2588930377199259 1.3571790246272988 -3.8042843032924480

Pt -2.3349004499849060 -1.3441769212660768 -3.6486324173432765

Pt 2.2588930377199259 -1.3571790246273041 -3.8042843032924480

Pt -4.0100177150109024 1.9835234014575662 1.0945967636724754

Pt -3.7127769862111575 2.0753572790586752 -1.5272779097446445

Pt -3.2775262207155778 -1.3692351567955674 3.8400632679934033

Pt -3.2775262207155778 1.3692351567955559 3.8400632679934033
Pt 3.8733516181878929 2.6775015657044348 -2.2060108495058275

Y -2.2238166691511840 3.6095450185086486 4.9856279587025094

Y -2.2238166691511840 -3.6095450185084550 4.9856279587025094

Y 2.8816144707819147 5.1410838028271399 -1.2519410637842234

Y 2.8816144707819147 -5.1410838028275432 -1.2519410637842234

Y 8.1946706360402537 -0.0000000000000027 1.4962522307267696

Y 2.0028344135801408 -0.0000000000000027 -1.3290344089099324
Y -1.1664224425212140 -0.0000000000000027 5.0576789372292561

175
Y -0.3446354266042000 -3.8483995153174648 0.4545928021144132

Y 5.1903454584849218 -1.7040764806341677 -0.0497773534581050

Y -0.3446354266042000 3.8483995153174533 0.4545928021144132

Y 2.4923691269760373 -2.3881536871271960 2.9768119925813687

Y 2.4923691269760373 2.3881536871271876 2.9768119925813687
Y 5.1903454584849218 1.7040764806339572 -0.0497773534581050

Pt42 Y13 configuration: ∆E tot = 35.42 eV

Pt -4.7768121383174007 -0.0000000000000016 -2.9495703566777332

Pt -0.0000000000000042 2.9495703566779197 4.7768121383173918

Pt -0.0000000000000042 2.9495703566779197 -4.7768121383174007

Pt -0.0000000000000042 -2.9495703566777305 4.7768121383173918
Pt -0.0000000000000042 -2.9495703566777305 -4.7768121383174007

Pt 2.9495703566779237 4.7768121383173909 -0.0000000000000045

Pt -2.9495703566777327 4.7768121383173909 -0.0000000000000045

Pt 2.9495703566779237 -4.7768121383173980 -0.0000000000000045

Pt -2.9495703566777327 -4.7768121383173980 -0.0000000000000045

Pt 4.7768121383173918 -0.0000000000000016 2.9495703566779232

Pt 4.7768121383173918 -0.0000000000000016 -2.9495703566777332
Pt -4.7768121383174007 -0.0000000000000016 2.9495703566779232

Pt -0.0000000000000042 4.8782623659888955 -0.0000000000000045

Pt -0.0000000000000042 -4.8782623659890980 -0.0000000000000045

Pt -4.8782623659891007 -0.0000000000000016 -0.0000000000000045

Pt 4.8782623659888955 -0.0000000000000016 -0.0000000000000045

Pt -0.0000000000000042 -0.0000000000000016 -4.8782623659891007

Pt -0.0000000000000042 -0.0000000000000016 4.8782623659888955
Pt 1.4895047084299888 -3.9330425923773165 2.4419595289522049

176
Pt -1.4895047084299973 -3.9330425923773165 2.4419595289522049

Pt 1.4895047084299888 -3.9330425923773165 -2.4419595289522107

Pt -1.4895047084299973 -3.9330425923773165 -2.4419595289522107

Pt 3.9330425923773076 -2.4419595289522080 -1.4895047084299975

Pt 3.9330425923773076 -2.4419595289522080 1.4895047084299886
Pt -3.9330425923773125 -2.4419595289522080 -1.4895047084299975

Pt -3.9330425923773125 -2.4419595289522080 1.4895047084299886

Pt 1.4895047084299888 3.9330425923773067 -2.4419595289522107

Pt 1.4895047084299888 3.9330425923773067 2.4419595289522049

Pt -1.4895047084299973 3.9330425923773067 -2.4419595289522107

Pt -1.4895047084299973 3.9330425923773067 2.4419595289522049

Pt -2.4419595289522102 1.4895047084299853 -3.9330425923773129
Pt 2.4419595289522054 1.4895047084299853 -3.9330425923773129

Pt -2.4419595289522102 -1.4895047084300008 -3.9330425923773129

Pt 2.4419595289522054 -1.4895047084300008 -3.9330425923773129

Pt -3.9330425923773125 2.4419595289522045 1.4895047084299886

Pt -3.9330425923773125 2.4419595289522045 -1.4895047084299975

Pt -2.4419595289522102 -1.4895047084300008 3.9330425923773071

Pt 2.4419595289522054 -1.4895047084300008 3.9330425923773071
Pt 2.4419595289522054 1.4895047084299853 3.9330425923773071

Pt -2.4419595289522102 1.4895047084299853 3.9330425923773071

Pt 3.9330425923773076 2.4419595289522045 -1.4895047084299975

Pt 3.9330425923773076 2.4419595289522045 1.4895047084299886

Y -0.0000000000000042 -0.0000000000000016 -0.0000000000000045

Y -0.0000000000000042 1.6433403133954079 2.6784199465305196

Y -0.0000000000000042 1.6433403133954079 -2.6784199465305223
Y -0.0000000000000042 -1.6433403133954172 2.6784199465305196

177
Y -0.0000000000000042 -1.6433403133954172 -2.6784199465305223

Y 1.6433403133954052 2.6784199465305223 -0.0000000000000045

Y -1.6433403133954136 2.6784199465305223 -0.0000000000000045

Y 1.6433403133954052 -2.6784199465305258 -0.0000000000000045

Y -1.6433403133954136 -2.6784199465305258 -0.0000000000000045
Y 2.6784199465305201 -0.0000000000000016 1.6433403133954050

Y 2.6784199465305201 -0.0000000000000016 -1.6433403133954139

Y -2.6784199465305218 -0.0000000000000016 1.6433403133954050

Y -2.6784199465305218 -0.0000000000000016 -1.6433403133954139

Pt49 Y6 configuration: ∆E tot = 0.00 eV

Pt 2.2896239855214828 -2.4934841896144402 -2.3692314114258077
Pt 3.9423135871661246 1.2370616516715442 2.1599275902288761

Pt -4.7234614147318759 0.8427639784762607 2.5623870369864759

Pt -1.8788617996865558 -1.8927126517729727 5.6283198178191469

Pt 2.6928583648572184 -0.1477748203552006 -3.5885235402077762

Pt 4.5228429087727351 -1.1793041712869987 1.0025548505899253

Pt 0.2566076463102882 -0.6062816980077325 4.7477314722228146

Pt -0.3046573115863138 2.0629020964675124 3.9033737962114183
Pt -2.2301128136317683 -1.5835686611257500 -3.2156957347273027

Pt 2.4845189775653864 3.8648204445375773 -2.2615315229085291

Pt -0.9939885997028099 3.4149295848211034 1.6752141060492332

Pt -0.0611896415241642 2.9447106317635630 -5.0573121820224207

Pt -0.7430745009025426 -4.2962080772328806 0.3004203814227362

Pt -4.6309912019202448 -1.2181919832128976 -1.8197129108095662

Pt 2.9881487593770060 -1.1012959228752768 3.1936027320562475
Pt -4.1406320300801367 2.5905880403262440 -1.6626882040979865

178
Pt -1.1844113632492714 -1.6108827742347429 0.6094567680939138

Pt -0.3688815722414027 -3.2746839109152406 -2.1998948125820754

Pt 4.1037581294553060 1.7512810498891096 -2.2928058414914427

Pt -4.1224540329376120 -1.2980126624427457 0.8983573047374100

Pt 2.1294329815605582 1.1575150053365901 4.0682142985720553
Pt 1.6221220096852038 2.7187429603975222 2.0493599890070482

Pt -1.7325429882387411 3.4714848277204720 -0.9055678234079829

Pt -3.3747966541296233 -1.6178790835868753 3.4573218961319161

Pt 0.2071137348376970 -0.8029642602528105 -1.3846701082135009

Pt 1.5522576458464226 -4.7037838654834561 -0.9416708908428093

Pt -2.2045834120659515 2.8018335385710724 -3.4388924239584022

Pt -3.7925921896801515 0.6525997533225844 -3.6604233712161478
Pt -1.3756872524876229 0.5407821935947151 -4.6408530967750465

Pt -2.3631008623550311 0.5375112530229648 4.8898234072678761

Pt -2.7534224772395177 -2.9434258679357592 -0.9979483222681569

Pt -3.5318656826530415 2.6796507953830009 0.9210066823625740

Pt -2.9160606902378561 -3.5029524145921949 1.6333771409757214

Pt 0.6696321364819724 -0.2314433170209752 2.0757624056803716

Pt 4.0334055450055111 -3.3201640486326989 -0.5447902897440995
Pt 5.3321290641489911 1.0907511736690234 -0.0907942175069071

Pt 1.8964279199630218 -3.2470405906236612 4.1427525184855849

Pt 3.6984548120383889 -3.4317836869650025 2.1686505167920358

Pt -0.2314660311486811 1.3681569077589535 0.1538274355457777

Pt -0.1214219911715801 4.4471901605253565 -2.7693670944383775

Pt 0.8576672904315172 3.7964060998235150 -0.2371709472934238

Pt -2.8543362768550420 2.7710149020101573 3.5300237938259036
Pt 1.2813238307637196 -4.7089342723088947 1.9674665945945169

179
Pt 4.3496201052288228 -0.9263463049007833 -1.7035594235450613

Pt 1.0512169675584300 0.5437535966836010 -5.5396711724501513

Pt -5.2375419635045759 0.8279940599328778 -0.0321056997682036

Pt 2.6351689472017128 2.3748168723645380 -4.4186804784826288

Pt 0.3484839278437692 -1.4551070982482013 -3.9606194746782095
Pt 3.4644586558769510 3.1252769001418770 0.0976266568122817

Y -0.6688232224946162 -2.8433824980868581 3.2309092487657676

Y 0.5207205908992951 1.7266571628180423 -2.7286693769295964

Y 1.6830119141307849 -2.4373008076919573 0.5792748290165914

Y 2.5317605375643994 0.6126299609109022 -0.1760027062751692

Y -2.0622365538626699 0.5009455547154121 2.2075424478358401

Y -2.5418864457733168 0.4201384827509261 -1.2154326400232802

Pt49 Y6 configuration: ∆E tot = 0.59 eV

Pt -1.5143621946410166 -2.5357434264889052 -3.7189407002550325

Pt 0.9839726545605446 -4.4914049822219289 -0.6522275232960963

Pt -1.1249477420991767 -5.3166079229279797 0.9100780569799756

Pt -0.3613417127058008 -0.6426443632732864 -2.0043224494595480

Pt -2.3703611526232158 1.7837227971291039 -2.7050003100463806
Pt -0.3002167824786571 1.8471112781198504 -4.4335596219375892

Pt -2.0551417242638652 -0.0704402698711834 -4.6064753535404002

Pt -4.4736202105019212 0.2342734075726461 1.6853452977853840

Pt 0.4102619338272927 -0.8134241951399727 0.5509497408625326

Pt 2.1856474281575018 -1.2993878279591671 -1.4681366782975520

Pt 0.4830785673010173 -3.4478486785633771 1.8695986037352454

Pt -3.0952927115977498 -0.7977909799784589 -2.3580542241662972
Pt -2.5881718796745088 -2.3949625593352590 4.9737666846967112

180
Pt -4.2104506836219295 -2.2985163358770158 2.5605352761807918

Pt 4.2868220124262901 0.9508005675124082 -0.7901957308412986

Pt 2.5602874078326390 4.0694733739326896 1.0361300510781237

Pt 3.8193084329003368 -0.2554807614922374 -3.1317137156406112

Pt -4.0888073943770662 2.7788402878464447 1.0872187885547036
Pt -3.4879956354526231 -3.4232008614924898 -2.0020976755975859

Pt 0.6130068652542341 4.4192900622375078 2.6445872778355382

Pt 0.3723973476952575 -0.8267923953447159 -4.7242722748687589

Pt 4.0750636092490868 -0.6228616816411222 1.3169709659836111

Pt 3.8995511838418881 2.4820054546549692 -2.9723731269313101

Pt 4.4844275179874478 3.4741018501541072 -0.5658116914624653

Pt -0.3928620689379411 3.6776051766883522 -2.4864338892530213
Pt 3.6398854855335072 0.4182308593119813 3.6559766939080713

Pt 2.6843215748502200 -2.8581163172696225 0.5535385090490801

Pt -4.0373176739650019 -1.6344969613634406 -0.0785865427935415

Pt -1.4577255303836856 0.1733936227812143 4.8840846670000708

Pt -2.8197778156438802 1.7139554388931024 3.1749120543587734

Pt 2.8129953349923240 -1.4720499781202514 -5.2046210266323722

Pt -4.2840805145613396 0.9316159462423660 -0.8571622725596557
Pt 2.3131140788433897 1.1169869641603600 -4.8327613988756095

Pt 4.2789289781824325 2.1046706349186102 1.7243999036593498

Pt -3.4671189924936692 -4.0335873452022160 0.7483962250254474

Pt 1.9857636474064655 -1.4808008621353890 2.7051219545839871

Pt -1.9175433830091342 -3.8795473488361174 2.9504119663134345

Pt -0.0382795047225913 -2.1823899487415939 4.2363471697721646

Pt 2.1402229726848918 4.1256014190736918 -1.5894555106449693
Pt 0.0953838887677515 3.9139986150218982 0.0678260020663763

181
Pt -2.4154462630357147 3.6895611583430119 -0.8122965851983450

Pt 1.1486722473623192 0.2640092170984059 4.4561218158648153

Pt -1.7816523027373619 3.7010120241008866 1.8638941808938216

Pt 1.6715565160487638 3.5577969462488710 -4.1741910408937359

Pt -0.3489987096431543 2.3139371013793406 3.7851532970139266
Pt -0.8172750074027272 -4.8034246955373572 -2.6203103179617493

Pt 4.6559760500261183 -1.6816420368780090 -0.9718867031843248

Pt 2.3281425455699840 2.7386352547713830 3.8226888599388493

Pt -4.0600351683393310 -0.3039242707077709 4.2652803203779959

Y 1.4581591433657086 1.4712135510239703 -2.1202861112171041

Y -1.7561645247674067 1.2418756635955679 0.0648408630666359

Y 1.5818672290296181 1.4346576150745840 1.6507167701192171
Y -1.7637970327883041 -1.0595961912119394 2.4712413210839719

Y -1.2602532471105115 -2.9046508465786292 -0.5732477901902115

Y 1.3202229098822575 -3.0970422436978935 -3.2617130520430377

Pt49 Y6 configuration: ∆E tot = 2.96 eV

Pt -0.7585078369195996 0.3592360560802734 3.0110198867069524

Pt -0.3730097796104163 1.0110615475162148 -1.6339657341155769
Pt -0.4871947875141952 -1.5406002679465876 -2.0219985215972578

Pt -1.7284527503060361 1.5986861242128350 0.5844224461222770

Pt 0.5904402574107973 -4.2463541076094566 2.2719071516857539

Pt 1.5778840148283135 -0.6498607208976224 2.0791861417882300

Pt -2.5772616325267559 -0.4283931816140822 -0.9172504102597933

Pt -4.5218372926834371 0.5169842060988810 -2.8012328172896614

Pt 0.5468098068560164 2.5322977672038331 3.7848584058925403
Pt -0.1312525641798062 2.7158934681418097 -4.3324223414380967

182
Pt 2.4915678804618318 -1.9429937302328519 5.7768699427350221

Pt -0.7704032356653018 -2.3365927742709718 -5.0307143495743691

Pt 2.8332191072675852 4.3407090439850595 -0.4268858796364439

Pt -2.3892965510565909 4.4382237563551667 -0.0437255699094317

Pt 2.4537069504261697 -3.3459589430262260 0.6979510421226950
Pt -2.8910609132161311 -3.5866711691108208 -3.9639040389447660

Pt 5.2261389738083652 0.7362438802772595 2.3435191601053034

Pt 3.8136137548807105 -0.3417626224194970 -2.6865967733338181

Pt -5.4217155757712776 2.2380913906581230 0.4073430417703918

Pt 0.2554480643435887 4.5846127301058637 -0.1377663074362852

Pt 0.1859478030107181 -4.3424600596514953 -0.3822713000683125

Pt -5.1789992177270703 -0.2414134217228114 -0.3056433398594603
Pt 4.7725153432011789 0.2525166225906217 -0.2395003685165571

Pt -0.3766797148459483 0.1792589560154219 -4.7155795753767791

Pt 1.3633488535250844 0.2951646345374006 4.8564127393611667

Pt 2.6881024679562553 -3.0289439589997866 3.3483242634668331

Pt -1.9190969657026253 -4.2227368618484524 1.4426291387509551

Pt 2.1561785567153922 -3.4712615177973452 -1.9731138150996930

Pt -0.2405387982431589 -3.9377662527551629 -3.0021943250922085
Pt 4.3781115227629810 -2.3706387048585715 -0.9089407210314188

Pt 4.1049614786490354 -1.5236119019322509 1.5817723237676871

Pt -4.3395590346431545 -2.0985566541991783 -2.0620023285907489

Pt -3.7363454980870681 -2.4067881243953333 0.6102521943909608

Pt 1.4005809444827986 3.5517618005415215 -2.4109294181512544

Pt 1.9326204034807482 4.0992979279449093 2.0975948416062318

Pt -1.2322161245629941 3.5363991425807946 -2.1450590879490239
Pt -0.9294964967107319 3.7778994665002661 2.0563382534007388

183
Pt -2.4104119839114664 1.6602550814202335 -3.6835764280118841

Pt 1.7502818516342933 1.0892255635516972 -3.4493142055262647

Pt -2.6701707893056210 -0.9615947086641961 -3.9186074887487976

Pt 1.5347611020538825 -1.5398511699018163 -3.7577995084465226

Pt -3.5442477767827163 3.0063115542252388 1.9622905412064446
Pt -3.5554475062215265 2.4751188282523251 -1.3610012486712646

Pt -2.4178999698647430 -1.9692298216468092 3.0093894067357261

Pt 3.8057799729306709 -0.5906548694214320 4.0269863678916451

Pt 2.9557653354025262 1.8455483161206767 3.2312234684203909

Pt -2.1050072188560160 2.3865296890786030 4.0431226927069410

Pt 3.3505915588759394 2.0075016739308618 -1.5518992666687266

Pt 4.0570878264604557 2.5888228058511467 0.9898329529145241
Y -0.6890142030561369 -1.7926468142253777 0.8295800712356157

Y 0.1752886134040336 -2.1740460818279721 4.1863622176928779

Y 1.1460803231311798 1.9407513406159089 0.7294963024650772

Y -2.4755667208240122 -4.0764000156522471 -1.3204471919077621

Y 2.0112944552150105 -0.8606835539213056 -0.8311898024597023

Y -3.6874362843810258 0.2640686361567117 2.0568471687688956

Pt49 Y6 configuration: ∆E tot = 3.77 eV

Pt -2.2659906034056623 -2.5155163974021071 -4.2290546399009408

Pt 1.8149958695620623 -3.8334223298439309 -1.4980719302804177

Pt -0.7597978383458004 -4.4397680612110273 -1.1139615975310442

Pt -0.6157784079021427 -1.6552211996386634 -2.1425634045106725

Pt -2.4777167070912802 1.7199116729790052 -2.9227068926705839

Pt -0.4437079061380726 1.8249926790166691 -4.7512262423430336
Pt -2.4323139844380184 0.1249600628420855 -5.0487135038166828

184
Pt -4.6996319220681944 0.3117541686679774 1.6853202675242278

Pt -3.7323304118609069 -2.1610378539021222 2.5101604275804257

Pt 4.7256166829974084 0.4327905058137418 -0.8842498573144113

Pt 2.7072645733058498 4.1673841001815903 1.0124324404613347

Pt 4.2150157712543930 -0.4399383622267039 -3.3592084554666006
Pt -1.9466923999058252 0.1563549803171820 -0.7904177311054819

Pt -4.1319397513644365 2.9164957715741657 1.2592247218795929

Pt -3.0476841000233592 -3.2647534343294100 -1.8394084425068205

Pt 0.7243562146510596 4.4754995570295160 2.5941916891654775

Pt -0.1113583123187387 -1.0130673648415098 -4.6403031531576922

Pt 3.7337911196772775 -1.0801338514868264 1.1692320069687645

Pt 3.4250731525166387 1.9090196827095407 -2.6608588062183025
Pt 4.5551833425272168 3.1180249177954655 -0.5531406485526997

Pt -0.3961580409629588 3.5505449078266795 -2.4727314801241813

Pt -0.4231675252569491 1.5814646383605160 0.8302788470197038

Pt -1.9459157368236963 -0.2818766593818212 1.8399968945955238

Pt 3.3930497071085779 -0.0079374606139235 3.5135270230932640

Pt 3.3664121528441386 -3.6293610421684197 0.6586323198945807

Pt -4.0214188725123154 -1.4970118473045226 -0.1538907784872355
Pt -1.3685773012320588 0.0820809036075745 4.6237952325666374

Pt -2.8932968029411010 1.7979697745129632 3.2335363356838012

Pt -0.9040628122088072 -2.1862520358913247 0.3524607808959092

Pt 2.0956703484909762 -1.8669591079716237 -3.4524668376338190

Pt -4.2740895236698240 1.2511050282851746 -0.7892365888212700

Pt 2.0396907757126739 0.5716187762163547 -4.5500765792626794

Pt 4.6318263690141093 1.3759778347973586 1.6274698416635414
Pt -2.8008938432245540 -3.8721038727910737 0.7403381598791385

185
Pt 2.3974264446479316 -2.7518862044152201 3.0202036161133003

Pt -1.0766468044369784 -3.2087477271701039 2.8472775791328488

Pt 0.4239920750962372 -2.0309019984731322 4.7821449732797898

Pt 2.1479959391521373 3.8845121120750199 -1.5812303809360799

Pt 0.0960597101149101 4.0891103468791075 0.0571603447725539
Pt -2.3038357252500528 3.1322376570029395 -0.6843535744751714

Pt 1.2085518905620571 0.5820182051371896 4.8263332693506467

Pt -1.7752895507162172 3.8427749174999426 1.9264891320005313

Pt 1.6741367463716201 3.2340449351452158 -4.1284496497658250

Pt -0.3002848513536677 2.2620036595122524 3.5093337409829464

Pt 0.1863332045211472 -3.6664429604890763 -3.5546886350958640

Pt 3.8736685774196329 -2.0592439017676738 -1.3766547161085267
Pt 1.4516474255789789 -1.2536489560444273 -0.4705403544737286

Pt 2.3378080702869761 2.3390951412360197 3.0499360652416585

Pt -4.0263833375325309 -0.2958571575243467 4.3129686406179975

Y 0.7796074234970820 -0.6613763230765346 2.3602549932948986

Y 0.4671782215004370 0.9398815825545612 -2.3109654893847345

Y 2.3376189936140981 1.5446258473145345 0.2579241973151835

Y 0.8039870473064255 -4.3717194262017935 1.2191447475030903
Y -3.9794047344195289 -0.7546959624911387 -2.8677220102216627

Y -2.4595900419283709 -2.4193728682318860 5.0071240916887936

Pt49 Y6 configuration: ∆E tot = 4.95 eV

Pt 2.0581715928136091 3.6826185187091980 -1.5186181769868923

Pt -2.4386957115031467 -2.5167689677274767 -4.2581700165785241

Pt 1.6979921132309002 -3.8825440752388092 -0.8299002407268047
Pt -0.7928322169771784 -4.1573144739391230 -0.2043930241447042

186
Pt -1.0959371190713381 -0.6611668347249837 -2.6308052867547933

Pt -2.6859499397848841 1.8209704853585580 -2.9079079498779659

Pt -0.3698857685324984 1.5135763046540631 -4.4639468677834246

Pt -2.4433739564883354 0.0355051259423267 -4.9458264905827756

Pt -4.4865031345260959 0.2051804488096718 1.8672956773706759
Pt 0.7322409371983858 1.2005724938791376 -1.9439924276710889

Pt 2.4547703294278560 0.3305440120602697 -0.2105518670143273

Pt 1.0882716892703705 -4.0774707593787456 1.8269268422477092

Pt -3.7823204270005308 -0.7174740359605003 -2.6559527734550339

Pt -2.3216446113889995 -2.7036826455166807 4.6031742772536495

Pt -3.8002777987592338 -2.3088303541826711 2.3663766023842547

Pt 5.0804499049718226 0.6113090642832988 -0.8424530491826877
Pt 2.6444730799418039 4.1206696895439547 0.9888905831463534

Pt 4.4112274644305396 -0.6523599631305774 -3.1818446196636763

Pt -1.6053543956841587 1.0354114069290732 -0.6361989190919767

Pt -4.2182135767003661 2.8655476847950325 1.3831682751796102

Pt -2.6871059926622576 -3.2011768864723642 -1.8311254656413429

Pt 0.6412491658017794 4.4182504110188052 2.7801542048273218

Pt -0.0373100843150900 -1.4573047523623701 -4.8553698310294413
Pt 4.2008349483053076 -0.9397737279505829 1.2649252591771902

Pt 3.4668649073000126 1.7106020856902939 -2.6487648108498312

Pt -0.5600034821057298 3.4626025491820469 -2.5122295814130422

Pt -1.4054050427990064 0.3465061372766372 1.8463545055973709

Pt 3.7317458122354616 0.1913274771871206 3.6186948806088961

Pt 3.5065168366642747 -3.4523813302308568 1.0527200862348747

Pt -4.0590758343324449 -1.5340341408052802 -0.1622941363252149
Pt -1.4262804017300665 -0.2438699332541129 4.3710002620703969

187
Pt -1.3690710387328793 -1.4960555319304436 -0.0673142632827132

Pt 2.2521288912429305 -2.2890831040487640 -3.5463914080549084

Pt -4.1612670274248913 1.0692853284814936 -0.6541556327051851

Pt 3.9544821841888238 1.7619576791765674 1.4204063468032095

Pt -3.3261460490717085 -4.0209985431058595 0.5251061647460679
Pt 2.7805332879697633 -2.2735169762410035 3.3391088932352235

Pt -1.4225876505939417 -3.4257519927872160 2.2356142149492677

Pt 0.2357596290873054 -2.5850377805428950 4.0341454307424067

Pt -0.0730849164645700 4.5829787915422502 -0.0717323830615731

Pt -2.4993623548084254 3.4763213222916995 -0.6986185988907648

Pt 1.1675622939219419 -0.0272348144956289 4.0248738152791352

Pt 1.6860085074438105 3.0369714365631379 -4.0760154855339339
Pt -0.5966642264198534 2.2153529575693174 3.6220910391782106

Pt -0.1526532210320382 -3.4288216334199539 -2.7801605393631612

Pt 3.7028209596582751 -2.1368256937769763 -1.1782467447512013

Pt 1.0070225188472202 -1.4311460649381844 -1.4352900503871324

Pt 2.2281452574196412 2.3426157556017033 3.3525256674609474

Pt -4.1549960352156150 -0.7765339241200440 4.4034174908339185

Y 4.7150259887654169 3.3210041325436901 -0.6969995618122257
Y 0.6864773193001967 2.1129969520315388 0.9380825966572649

Y -3.3544905727114265 1.7581631331379797 3.8097794361521276

Y 2.1505664899247203 0.2311400780147992 -4.6954189197382670

Y 0.9950533642509456 -1.3482107209560767 1.5101196586123762

Y -1.9499028867764043 4.2853881989645171 1.9557369116061594

Pt49 Y6 configuration: ∆E tot = 5.45 eV

Pt -0.0449217095190667 3.9183280913338718 2.6157775668355701

188
Pt -0.0289730175609903 -0.9782801731805314 -4.4894505787640524

Pt -2.2671885170060340 -2.6602636212587196 4.4497991560636558

Pt 0.7905971391177008 -1.0918260575840466 1.3240477231513781

Pt 0.3492008898153681 1.5730749100672914 1.3182390803668511

Pt -1.5748153807046978 -1.5335149820045051 0.2939255301754549
Pt 1.4174473769880722 -1.0461834584086893 -1.1583413343853053

Pt -2.2133856267032255 -2.4543610418436801 -4.2434430726604999

Pt 1.8451013655797193 -3.6849297324998620 -1.0304365366556176

Pt -0.7022712458945165 -4.2031088222648592 -0.3131047311199406

Pt -1.0549841250316969 -0.4523313189495152 -2.0230279290280473

Pt -2.7240079929418006 1.7618057377871068 -2.8182632728866883

Pt -0.5481330773457490 1.6472721342935692 -4.3399913444282028
Pt -2.4493988190026497 0.0481651880180861 -4.9264552199697009

Pt -4.5689292040345189 0.2665313347162540 1.6183935765807571

Pt 1.3189008036263028 -3.6114903405059513 1.5784443340164644

Pt -3.6595495676719758 -0.7649373926024786 -2.7207318145881283

Pt -3.7095914443855205 -2.1758642095293652 2.2672757711437201

Pt 2.0861888492889995 3.5618919681282328 1.0568118207314723

Pt 4.7484777299711229 -2.2829902992352968 -3.8048896051998824
Pt -4.6535575239003029 2.8589729314868686 0.8975988810076250

Pt -2.7195375038345317 -3.1768714875846884 -1.8563037205240613

Pt 3.5579908092194388 2.4790571963055408 -3.0160736589578949

Pt 4.0123831339743061 2.5565019302102971 -0.4849532486583792

Pt -0.8079959171925349 3.6927563322742589 -2.6226329183353823

Pt -1.3284888178301537 -0.0201853290092554 2.4695621743343179

Pt 3.9268243103371616 0.3622667356741346 4.0508360423478331
Pt 3.6579815393463995 -2.0250541113995792 0.3246026791539052

189
Pt -4.1945165426204358 -1.5538657056321461 -0.2697880109065816

Pt -1.0165665334791381 -0.4443662882667393 5.2767094775011634

Pt -3.0215942016946671 2.0822552831285455 2.8944454881602284

Pt 2.1717106513961890 -2.0382215864454327 -3.5249084694793904

Pt -4.6635544805691547 0.9622443998696643 -1.0401317073463758
Pt 2.0266096333687575 0.6376985301509795 -4.1713892155965366

Pt 5.3876688517952402 0.2988449656639555 0.2584684479459778

Pt -3.3159572704529379 -4.0130549773655897 0.4760844211042770

Pt 2.8288827352424524 -1.8628973239485638 2.9941667488372645

Pt -1.3287483542686160 -3.5223213597784708 2.1287246782652955

Pt 0.2745149449391103 -2.3237548990085077 3.7907957989222139

Pt 1.8877913542621336 4.1426209242538805 -1.5027453424775867
Pt -0.3828185600155095 4.0471661924608888 -0.0597482327145480

Pt -2.9079299015745499 3.6594337656393083 -1.0078144811694791

Pt 1.2915125494704240 0.1177899448013547 4.1234922064543067

Pt -2.4346512495841410 4.1886785643431290 1.5742099601170505

Pt 1.3634192842472757 3.3066439918389889 -4.1459675799201232

Pt -0.6927637395331520 1.9272863979449437 4.1565705794002028

Pt -0.1355391336642878 -3.0178177944840190 -2.6152391248365463
Pt 2.1006742164123167 2.5731220938458641 3.5889570675604325

Pt -3.4093895597966717 -0.3039102945200053 4.0040839001947388

Y 2.9819934690933834 0.8185996397612062 1.4859200537126673

Y -2.2241957238031955 1.2925966557448727 0.1441906213964446

Y 4.4002561655885462 -3.7239268743886349 -1.6758513759303106

Y 0.9322705108007344 1.6495706008057165 -1.6542732822829942

Y 5.4421637591058021 -1.2952507483465037 2.4783671622977259
Y 3.9833926686294672 -0.1695962105031720 -2.1245451389567389

190
 Pt49 Y6 configuration: ∆E tot = 6.07 eV
Pt -2.3105377492895842 -2.5939182512899248 -4.3661139751080951

Pt 1.8512283082820913 -3.8468561138539754 -0.9981691277468904

Pt -0.6768645179045896 -4.1082282354517634 -0.2628599886658282
Pt -1.1594645933637988 -0.4409328679893449 -2.1406016364503810

Pt -2.7242393231922639 1.8025516646834170 -2.6694233633140647

Pt -0.4420737918511621 1.4054327150706203 -4.1556549322131984

Pt -5.3907065034756476 0.2223201454118660 1.5035296256873589

Pt 0.7132889323258147 -1.0440610724531747 1.2661487572007080

Pt 1.0521451350053432 1.1932976370578161 -1.7879766858224759

Pt 2.7269799725232544 0.3112993541794645 0.0327221718597615
Pt 1.1805072214859225 -3.6099385635071175 1.5816693875294001

Pt -3.7380490198806395 -0.7323739807864595 -3.0309973714593599

Pt -2.0004627782908333 -2.9714218824841683 4.7479454770389111

Pt 5.0452297322132260 0.5259374470570912 -1.0875449143763432

Pt 2.5443032052629642 3.4031679419689329 0.9586842790336004

Pt 4.3751882994361901 -0.5105666764012393 -3.4378648574971860

Pt -2.0206158571364554 1.0804250133298354 -0.1001783382622225
Pt -2.5622108170515885 -2.7913653523615882 -1.7142099069329497

Pt 0.6370895943111359 3.4284683886669138 2.8516616944524160

Pt -0.0771854314624561 -1.2395740082904134 -4.5492029857456950

Pt 4.6860941926479764 -1.0162155576446330 1.2098979485848147

Pt 3.6903611313533662 1.9546901380495463 -2.8569994522958830

Pt -0.4651753478893443 3.4494520232459251 -2.5259797671386646

Pt 0.4444362881249670 1.6510699870429377 0.7052585409632933
Pt -1.4136395312338861 0.3073477538552508 2.3752944556652476

191
Pt 4.2108287581651274 0.1861900985566032 3.5799070833480466

Pt -4.3257912520890738 -1.7805119007155086 0.1080224344290313

Pt -1.3293791498575684 -0.4114315071763718 4.8728031325092713

Pt -3.6211009656559137 1.4289669128932050 3.2840540502896736

Pt -1.7376374580594938 -1.4630547881383511 0.4970326900032938
Pt 2.3169640294430307 -2.1975506788757602 -3.4226575050153474

Pt -4.5328851178212712 0.6233046281325803 -0.9643083621391365

Pt 1.9799238760270166 0.3490621582201881 -4.2569806096555478

Pt 4.5653097218162033 1.7193170227928616 1.3412560996192908

Pt -3.3103603067725214 -4.1451442932452629 0.4202784614954032

Pt 2.7364504338485425 -1.8288485883926984 2.8587141070078732

Pt -1.5521301216208290 -3.5941781335168668 2.2033873648310514
Pt 0.2600474000481605 -2.2188418198860327 3.6745995379015883

Pt 2.1132211008757409 3.7139863797354091 -1.6050240459366611

Pt 0.1111395847329088 4.1397453106014837 0.1395386120683447

Pt -2.3576366406294831 3.6430930397717862 -0.7297853751234326

Pt -1.8804337735288712 3.0841263478231893 1.8259509381033869

Pt 1.6497709105308966 3.0410488695432578 -4.1262344829587176

Pt -1.1946379563257130 2.1657081747701050 4.2482063509632306
Pt -0.1026987063860663 -3.2287678729032474 -2.7498370912777381

Pt 3.8862306437409515 -2.0484559297730320 -1.2355934389643706

Pt 1.1723825317011825 -1.3416865348971814 -1.2822239784504224

Pt 3.1759649262909173 2.6538635759559193 3.4067876836106419

Pt -5.6188231112377416 0.0468366365569813 4.0738686297449869

Y -2.5017124109088025 0.0676721568590995 -5.2151603814656129

Y -3.5714627800401635 -1.5620359287596677 2.9389206925026863
Y -4.4651891594890882 2.6983038699982873 0.8745052166849322

192
Y 4.7735464698490766 3.3797101442614763 -0.8385211711744046

Y 3.8968990245747293 -3.6350868892094224 0.9494395183469421

Y 1.2875727478281118 0.6846518919111548 3.5800188037154439

Pt49 Y6 configuration: ∆E tot = 7.60 eV

Pt 1.0572960233857447 -3.4441122694608040 0.0542578710603845

Pt -0.3588995962809965 -1.3879700910479156 -3.6572194261274191

Pt -2.8758037494237221 2.7970071537802674 -3.2224078086017274

Pt -0.6399635071425077 1.3992942137621025 -3.7166709289031763

Pt -2.4570280300417697 1.5847984652238254 -5.7075526128702494

Pt -4.3483878380064267 0.3328194585616421 1.0827994734496551

Pt 0.6960088915213049 -1.1241355911657371 1.6066839059872926
Pt 0.8688068127995640 1.1741968574434063 -1.5173083859157162

Pt 2.2472216043219384 0.7051934699330159 0.7670361548314570

Pt 1.8004566072297095 -4.3624228632516164 2.4215244047439128

Pt -2.5385776714346524 -2.1861739113310521 -2.1808089963207138

Pt -2.1511510877635200 -2.8183685658352196 3.1130391448313466

Pt -3.9790700390369884 -2.2406585560566232 1.1873215687254737

Pt 4.9570168327226627 0.6721264768830529 -1.0169889519913040
Pt 2.5742510414910229 3.7981285804049256 0.8958574758940481

Pt 4.2674373598537505 -0.5963121661296876 -3.3490906470104207

Pt -1.7624583850288602 0.9586717737600668 -1.1856481539901385

Pt -4.1600884938303917 2.9618873657343765 1.1472939271598586

Pt 0.6931317770013564 4.3186534969505121 2.5989966315203721

Pt 4.4690740686717785 -0.8135190673987603 1.1569523968887943

Pt 3.3299431002075033 1.7884843297255144 -2.7344976069085343
Pt 4.4298088521147054 3.2501298353116201 -0.8301380192368519

193
Pt -0.4561213080349218 3.8261188470540617 -2.4516301177742763

Pt -0.0652705183767444 1.8701181248115133 0.9108490014231054

Pt -1.7084102024436387 -0.2041867071316497 1.2442701054256942

Pt 3.8827997445219156 0.3745968358492630 3.4113871297396536

Pt 3.6024142144443556 -3.2995458904468173 0.6961883698276994
Pt -4.7583436784380586 -1.1397483573911367 -1.1284393734709015

Pt -1.2682948574309478 -0.3695059679351940 3.9380073022854623

Pt -2.8736437005860869 1.5582828534914714 2.9997130010595150

Pt -1.6409357369132407 -3.2076136355725748 0.2967015311130412

Pt -4.2771342499634359 1.5643831360626881 -1.2361578305023695

Pt 1.7873901108212003 0.1864538821691077 -4.0996937778839726

Pt 4.4694264946385642 1.9515916421773203 1.3986337014337415
Pt -3.1993697259265450 -4.8964426761674673 1.6915583069681537

Pt 2.8531591933049421 -1.9767132959762459 2.9247653708166998

Pt -0.6557671074461430 -4.8778652706118031 3.7189683509935305

Pt 0.4023456740807385 -2.4790030068609297 3.8874509061507174

Pt 2.0029169903701907 3.7835896698975278 -1.6742924455403374

Pt 0.0540638201125431 4.3626155511627509 0.0527279762993222

Pt -2.4012165706419606 3.5546525703512351 -0.7157948387616706
Pt 1.3190418446706780 0.0087825910867635 3.9410384262392899

Pt -1.7923420896255966 3.6979129800864645 1.9244018887120777

Pt 1.4616854486924467 2.9931682032677887 -4.1350978682778647

Pt -0.3103526630460201 2.0792977266189188 3.5559188505323753

Pt 5.1860790613111662 -1.9654560867007231 -1.0486922042874447

Pt -0.2950507126065525 -1.2538582423210927 -0.8957254112301642

Pt 2.3366748678965967 2.4006401943802733 3.1943578067890659
Pt -3.8298378618940565 -0.8314772764829904 3.4662734457897906

194
Y -3.3033380353902291 0.0190470589302979 -3.5580203183110806

Y -0.4883481666012275 -5.5212531616037221 1.2097634324230344

Y -4.1745285732037365 -3.9709819196085676 -0.8158234535958355

Y -0.2429931939140880 0.0046103026355201 -5.9891090154341420

Y 2.5492200205583346 -1.2361427708609942 -1.3142216947918248
Y -0.2849431062716435 -3.7737863001579677 -2.3137079713764299

Pt49 Y6 configuration: ∆E tot = 9.58 eV

Pt -3.1914184619779919 -2.0456088181170542 -5.2518312884014700

Pt 1.6815121551777894 -3.3528052011087222 -0.3379015615249336

Pt -1.4786921284293437 -0.8592096272548636 -2.3615560444888875

Pt -2.4569824915712997 1.8133374618457085 -2.8965808785570024
Pt -1.0841647319130714 2.6872555572372705 -5.0972577093871552

Pt -2.1577493329333248 0.3081663754031427 -5.0481207035860560

Pt -4.4789894813605660 0.1158134681845255 1.6134557576540738

Pt 0.5451379117283762 -1.3241028926119855 1.6600134569111096

Pt 0.9249060373185681 1.8985283539811175 -1.1326791040642403

Pt 2.6188675018784844 0.5071981742427715 0.2735421109243222

Pt 1.2270569457930196 -3.9471784249453967 2.1803632707715748
Pt -3.9988489182881284 -0.5762404861512970 -3.0055180152562428

Pt -2.3022266884468645 -2.4863656030150225 4.6136771281967039

Pt -3.9138648072969908 -2.3000483477331239 2.5489235172505076

Pt 5.2306402629079516 0.4510996232074218 -0.9803503182247474

Pt 2.6220831596277696 3.6814177851791845 0.7141042561201744

Pt -1.3966535417385972 0.8338660218269548 -0.3660824975979579

Pt -4.0125143470627247 2.7229093086461176 1.1587341855544819
Pt 0.7333411908113824 4.3197904303953507 2.4223552742083045

195
Pt -0.4704150989954702 -1.9304026532496317 -4.6034032444140314

Pt 4.5330878891459276 -0.8400951193620015 1.4425803997746152

Pt 4.6415752819895308 3.1806707813917625 -0.8412197516860037

Pt -0.4500153044477010 3.5923409371051078 -2.6116760858939543

Pt 0.4532536105144093 1.3111804976956010 1.5455262412958488
Pt -2.0015129587254612 -0.7905392768916611 1.5009527097850732

Pt 3.9238399870428564 0.4578910990390876 3.6405376043589825

Pt 3.7104583128120812 -3.3382427350114257 1.2428978472910250

Pt -4.0030041760333166 -1.7514285094300379 -0.5075479369085673

Pt -1.2230806766455724 -0.0631058309615802 4.5394098590295515

Pt -2.6601301496202914 1.4986489875511859 3.0470819068021573

Pt -1.4456767743712065 -2.7081016868588255 -0.3132633128679919
Pt 2.1212012267390361 -1.4877481157070460 -3.2541951735569077

Pt -3.9871576036648739 0.9941867586124989 -0.8489192874571011

Pt 4.4864944452471418 1.8696332014981416 1.4755631758723622

Pt 2.7202951035426031 -1.8857478896747026 3.1933804047736301

Pt -1.4641626994227832 -3.6102056636475370 2.2310755492438874

Pt 0.2233032150453055 -2.2976640225597378 4.0788400796314059

Pt 2.2113292854285462 4.0513503290469481 -1.9026423773447121
Pt 0.1122298571400026 4.2899580647841953 -0.1291756464764306

Pt -2.3113997283971819 3.3389432356273123 -0.7705755780681257

Pt 1.3511253386990720 0.1365336106505488 4.1404027098359037

Pt -1.6030780953708006 3.4638785809195887 1.7657764170508985

Pt 1.5448551844921692 3.2354545069499223 -4.3485535073268675

Pt -0.2773900552150727 2.2891305004507108 3.8887554590809295

Pt 0.0715713709334670 -3.2934100553625902 -2.4041821657988027
Pt 3.6507328304324393 -1.7613913952040066 -0.9786100333336786

196
Pt 0.7722753086579298 -0.8161876374565470 -0.9731245092688033

Pt 2.3402108040464942 2.4281187061996481 3.1037878716189429

Pt -3.8832136993091910 -0.3631385256611917 4.3600713038909635

Y -0.2234134464055725 -5.1353191538217127 0.1160343566351153

Y 5.0065690173868189 -1.4446385299995668 -3.0444534554419533
Y -2.7980712625151249 -3.1796219888471184 -2.8595607915528589

Y 3.2452252263190204 1.4972732161716027 -2.5187089427894582

Y 0.3468821891584496 0.7377832675935817 -3.8394018167466770

Y -3.7762339898581199 -4.1238106507926240 0.7292488844590733

Pt49 Y6 configuration: ∆E tot = 11.64 eV

Pt -0.0000000000000313 -0.0000000000000064 -0.0000000000000135
Pt -0.0000000000000313 1.5246868833695351 2.5718984988103610

Pt -0.0000000000000313 1.5246868833695351 -2.5718984988103877

Pt -0.0000000000000313 -1.5246868833691531 2.5718984988103610

Pt -0.0000000000000313 -1.5246868833691531 -2.5718984988103877

Pt 1.3727796501073624 2.1347764166694740 -0.0000000000000135

Pt -1.3727796501070302 2.1347764166694740 -0.0000000000000135

Pt 1.3727796501073624 -2.1347764166694896 -0.0000000000000135
Pt -1.3727796501070302 -2.1347764166694896 -0.0000000000000135

Pt 2.0243382371899177 -0.0000000000000064 1.6125358947521942

Pt 2.0243382371899177 -0.0000000000000064 -1.6125358947520285

Pt -2.0243382371897809 -0.0000000000000064 1.6125358947521942

Pt -2.0243382371897809 -0.0000000000000064 -1.6125358947520285

Pt -4.3622065097487139 -0.0000000000000064 -2.7387239415834328

Pt 2.7809870233690708 4.3756418605369420 -0.0000000000000135
Pt -2.7809870233691329 4.3756418605369420 -0.0000000000000135

197
Pt 2.7809870233690708 -4.3756418605371534 -0.0000000000000135

Pt -2.7809870233691329 -4.3756418605371534 -0.0000000000000135

Pt 4.3622065097486447 -0.0000000000000064 2.7387239415834030

Pt 4.3622065097486447 -0.0000000000000064 -2.7387239415834328

Pt -4.3622065097487139 -0.0000000000000064 2.7387239415834030
Pt -0.0000000000000313 4.5565758230796831 -0.0000000000000135

Pt -0.0000000000000313 -4.5565758230797000 -0.0000000000000135

Pt -4.3257502452623831 -0.0000000000000064 -0.0000000000000135

Pt 4.3257502452621148 -0.0000000000000064 -0.0000000000000135

Pt 1.4855049153288877 -3.7179033728441846 2.2639778495919698

Pt -1.4855049153287514 -3.7179033728441846 2.2639778495919698

Pt 1.4855049153288877 -3.7179033728441846 -2.2639778495917975
Pt -1.4855049153287514 -3.7179033728441846 -2.2639778495917975

Pt 3.6966337945241401 -2.2651808945168472 -1.4367721479228834

Pt 3.6966337945241401 -2.2651808945168472 1.4367721479228532

Pt -3.6966337945244074 -2.2651808945168472 -1.4367721479228834

Pt -3.6966337945244074 -2.2651808945168472 1.4367721479228532

Pt 1.4855049153288877 3.7179033728441722 -2.2639778495917975

Pt 1.4855049153288877 3.7179033728441722 2.2639778495919698
Pt -1.4855049153287514 3.7179033728441722 -2.2639778495917975

Pt -1.4855049153287514 3.7179033728441722 2.2639778495919698

Pt -2.3017849740394718 1.4553533383000878 -3.9470306296954742

Pt 2.3017849740396024 1.4553533383000878 -3.9470306296954742

Pt -2.3017849740394718 -1.4553533383001069 -3.9470306296954742

Pt 2.3017849740396024 -1.4553533383001069 -3.9470306296954742

Pt -3.6966337945244074 2.2651808945168317 1.4367721479228532
Pt -3.6966337945244074 2.2651808945168317 -1.4367721479228834

198
Pt -2.3017849740394718 -1.4553533383001069 3.9470306296954445

Pt 2.3017849740396024 -1.4553533383001069 3.9470306296954445

Pt 2.3017849740396024 1.4553533383000878 3.9470306296954445

Pt -2.3017849740394718 1.4553533383000878 3.9470306296954445

Pt 3.6966337945241401 2.2651808945168317 -1.4367721479228834
Pt 3.6966337945241401 2.2651808945168317 1.4367721479228532

Y -0.0000000000000313 3.5286295619670067 4.4728783900507132

Y -0.0000000000000313 3.5286295619670067 -4.4728783900509450

Y -0.0000000000000313 -3.5286295619670192 4.4728783900507132

Y -0.0000000000000313 -3.5286295619670192 -4.4728783900509450

Y -0.0000000000000313 -0.0000000000000064 -4.9062777144457250

Y -0.0000000000000313 -0.0000000000000064 4.9062777144456984

Zr55 configuration: ∆E tot = −0.46 eV

Zr 2.6463137780226429 -3.6428107044493760 -3.4164072544100055

Zr 3.9606356216599004 1.2468341970856311 2.3570808361744007

Zr -1.2346430934460173 -1.3315694155860847 2.4508356580358477

Zr -4.8081321778468009 1.6987708372090236 2.4188966862397088

Zr -1.9100497626752677 -2.3104494269502407 5.1839271260339128
Zr 3.0991639153021744 -0.5005954342140253 -4.4586805693639588

Zr 4.4837477115268278 -1.4519172289613511 1.2994358975688822

Zr 0.3325694332876612 -0.4559871460980851 5.2405280270726298

Zr -0.4166028369951693 2.4564802346376151 4.3093970912431683

Zr -1.9162487324704323 -1.8358698659348303 -3.4080036187522413

Zr 2.2559826733132731 4.0380222705235997 -2.6163756696598721

Zr -1.1791176335411517 5.0286540034198186 2.4410373657964985
Zr -0.0034518925693696 3.3537709582265602 -4.7419732298135875

199
Zr -1.7014738589712799 -5.7334960546452773 0.4709356459138903

Zr -4.0484318316872496 -2.1491157397886091 -1.4881777911757919

Zr 2.9322823806240716 -1.1408489953305203 3.9880306508256602

Zr -4.0029220117786704 2.4356253719494880 -0.5090739008408409

Zr -1.1991798228842754 -2.8457537146953822 -0.1424682296117439
Zr 0.8735528312817671 1.0141750732757995 -3.1364003393682705

Zr -0.1708070745632142 -4.1749405426402397 -3.8627867007179315

Zr 4.2192129225008301 1.6974364071938002 -2.6436393745064510

Zr -3.8236136380819215 -3.7760225165029002 0.8830541232639195

Zr 2.3040705972125703 1.6872826621181840 4.6671969715315260

Zr 1.5647643586793372 3.5617698782765306 2.3776794196604456

Zr -2.1345509891410792 4.9942890081478470 -0.3730433975912089
Zr -3.9668505893096153 -2.1387019274944183 3.2751934140005030

Zr 0.9721235993263697 -1.8916956804682830 -2.0647984606072054

Zr 0.6639973458301753 -5.1082982049983352 -1.3283606511456778

Zr -2.0947420704170323 2.8332036157104650 -2.6412323320945283

Zr -3.7938498818505391 0.3719053810587667 -2.6331797285903686

Zr -1.6441384608299074 0.7575236465927162 -4.8076921348164880

Zr 1.4663332268683824 -1.9225414302837400 1.1815904946941185
Zr -2.6265042814309680 0.4546604372927465 4.2524075320227350

Zr -2.4132908150568930 -4.5761227445101618 -2.0386333661376206

Zr -4.0010004081675206 4.3806135006613633 1.6661707218934740

Zr -1.8288911119976987 -4.3349178592762643 3.0430012536246647

Zr 0.8787252363528637 0.7807581342641985 2.2028174262938620

Zr 3.1841371366164068 -3.8683819281316989 -0.2619285712955222

Zr 5.2738263625667265 0.9653389606966218 -0.1908870835696828
Zr 0.7565247219897380 -3.2335120890519438 4.2085014306011868

200
Zr 2.3630844709959167 0.6556979597847867 -0.5011865761171510

Zr 3.2700730651687060 -3.7462076617140543 2.6774996329177316

Zr 0.1798606878837283 2.9117250708652538 -0.5113154359379646

Zr -0.2811819293856352 5.2607709175140780 -2.4522568810014835

Zr 0.8887177649701155 5.5461769153169396 0.1977129700025753
Zr -3.1625944268504753 3.3974359722048550 4.1027405330396096

Zr -1.9169073366677232 2.1187169192943660 1.6611145636380940

Zr 0.8355034661370979 -4.9136988531348944 1.6646178889029013

Zr 4.0526165372405494 -1.3924835285022805 -1.7335838051843151

Zr 0.9882299221064148 0.9378092220466900 -6.1611336688657348

Zr -3.7291944453590702 -0.4324838498798318 0.7926823547202897

Zr 2.8334110548807683 2.5382214256946778 -4.9909340240446287
Zr 0.5468426442604617 -1.6665499234596588 -5.0558616752023591

Zr -1.2006338242790058 0.1359527731117947 -0.9025640516661220

Zr 3.3827014716484793 3.3153507125284118 0.0584928063764973

Zr55 configuration: ∆E tot = 0.00 eV

Zr -0.0000000000000071 0.0000000000000018 -0.0000000000000018

Zr -0.0000000000000071 1.5994396831555964 2.5908897271928577
Zr -0.0000000000000071 1.5994396831555964 -2.5908897271928613

Zr -0.0000000000000071 -1.5994396831555928 2.5908897271928577

Zr -0.0000000000000071 -1.5994396831555928 -2.5908897271928613

Zr 1.5994396831555875 2.5908897271928613 -0.0000000000000018

Zr -1.5994396831556017 2.5908897271928613 -0.0000000000000018

Zr 1.5994396831555875 -2.5908897271928577 -0.0000000000000018

Zr -1.5994396831556017 -2.5908897271928577 -0.0000000000000018
Zr 2.5908897271928524 0.0000000000000018 1.5994396831555928

201
Zr 2.5908897271928524 0.0000000000000018 -1.5994396831555964

Zr -2.5908897271928666 0.0000000000000018 1.5994396831555928

Zr -2.5908897271928666 0.0000000000000018 -1.5994396831555964

Zr -4.9346649528943738 0.0000000000000018 -3.0448467527133989

Zr -0.0000000000000071 3.0448467527133989 4.9346649528943640
Zr -0.0000000000000071 3.0448467527133989 -4.9346649528943685

Zr -0.0000000000000071 -3.0448467527133953 4.9346649528943640

Zr -0.0000000000000071 -3.0448467527133953 -4.9346649528943685

Zr 3.0448467527133900 4.9346649528943676 -0.0000000000000018

Zr -3.0448467527134042 4.9346649528943676 -0.0000000000000018

Zr 3.0448467527133900 -4.9346649528943649 -0.0000000000000018

Zr -3.0448467527134042 -4.9346649528943649 -0.0000000000000018
Zr 4.9346649528943587 0.0000000000000018 3.0448467527133953

Zr 4.9346649528943587 0.0000000000000018 -3.0448467527133989

Zr -4.9346649528943738 0.0000000000000018 3.0448467527133953

Zr -0.0000000000000071 5.1779942222983113 -0.0000000000000018

Zr -0.0000000000000071 -5.1779942222984792 -0.0000000000000018

Zr -5.1779942222984880 0.0000000000000018 -0.0000000000000018

Zr 5.1779942222983024 0.0000000000000018 -0.0000000000000018
Zr -0.0000000000000071 0.0000000000000018 -5.1779942222984827

Zr -0.0000000000000071 0.0000000000000018 5.1779942222983077

Zr 1.6128432446265535 -4.1881949061966557 2.6018615245267807

Zr -1.6128432446265677 -4.1881949061966557 2.6018615245267807

Zr 1.6128432446265535 -4.1881949061966557 -2.6018615245267842

Zr -1.6128432446265677 -4.1881949061966557 -2.6018615245267842

Zr 4.1881949061966495 -2.6018615245267807 -1.6128432446265624
Zr 4.1881949061966495 -2.6018615245267807 1.6128432446265588

202
Zr -4.1881949061966646 -2.6018615245267807 -1.6128432446265624

Zr -4.1881949061966646 -2.6018615245267807 1.6128432446265588

Zr 1.6128432446265535 4.1881949061966584 -2.6018615245267842

Zr 1.6128432446265535 4.1881949061966584 2.6018615245267807

Zr -1.6128432446265677 4.1881949061966584 -2.6018615245267842
Zr -1.6128432446265677 4.1881949061966584 2.6018615245267807

Zr -2.6018615245267895 1.6128432446265624 -4.1881949061966592

Zr 2.6018615245267753 1.6128432446265624 -4.1881949061966592

Zr -2.6018615245267895 -1.6128432446265588 -4.1881949061966592

Zr 2.6018615245267753 -1.6128432446265588 -4.1881949061966592

Zr -4.1881949061966646 2.6018615245267842 1.6128432446265588

Zr -4.1881949061966646 2.6018615245267842 -1.6128432446265624
Zr -2.6018615245267895 -1.6128432446265588 4.1881949061966548

Zr 2.6018615245267753 -1.6128432446265588 4.1881949061966548

Zr 2.6018615245267753 1.6128432446265624 4.1881949061966548

Zr -2.6018615245267895 1.6128432446265624 4.1881949061966548

Zr 4.1881949061966495 2.6018615245267842 -1.6128432446265624

Zr 4.1881949061966495 2.6018615245267842 1.6128432446265588

Zr55 configuration: ∆E tot = 0.26 eV

Zr -0.0000000000003624 -0.0000000000005116 5.2813592028143557

Zr -0.0000000000003624 -4.8371602700865424 2.6195947146449434

Zr 1.4501672698147914 -2.6648685925503059 3.9933942896525814

Zr -1.4501672698136403 -2.6648685925503059 3.9933942896525814

Zr 2.9521726736229894 -0.0000000000005116 4.2572803193572621

Zr 4.3097747131149404 -2.5429006500235687 3.4120407896662481
Zr 4.3097747131149404 2.5429006500222044 3.4120407896662481

203
Zr 2.6717886456178590 -4.3338761549259743 1.6048078281990392

Zr 5.2843355132736534 -0.0000000000005116 2.1115175925349217

Zr 1.4501672698147914 2.6648685925506470 3.9933942896525814

Zr -2.9521726736259311 -0.0000000000005116 4.2572803193572621

Zr -4.3097747131132786 -2.5429006500235687 3.4120407896662481
Zr 5.1012782363393754 -2.6364296026093825 0.6501678580946582

Zr 2.6199010177502160 -1.3770016296495555 1.3078634542736562

Zr -1.4501672698136403 2.6648685925506470 3.9933942896525814

Zr -0.0000000000003624 -0.0000000000005116 2.5132875737925637

Zr -2.6717886456172195 -4.3338761549259743 1.6048078281990392

Zr -0.0000000000003624 -2.5718772132173058 0.8500538065004939

Zr 2.6199010177502160 1.3770016296531367 1.3078634542736562
Zr -4.3097747131132786 2.5429006500222044 3.4120407896662481

Zr -0.0000000000003624 -4.9505815903315806 -0.6892877175498189

Zr -2.6199010177500881 -1.3770016296495555 1.3078634542736562

Zr 5.1012782363393754 2.6364296026104057 0.6501678580946582

Zr -0.0000000000003624 4.8371602700865424 2.6195947146449434

Zr 2.6717886456178590 4.3338761549273386 1.6048078281990392

Zr 2.8088537610613358 -3.0606918870384447 -1.1893328479264529
Zr -5.2843355132759138 -0.0000000000005116 2.1115175925349217

Zr 4.4935908302723888 -0.0000000000005116 -0.8519482235053761

Zr -2.6199010177500881 1.3770016296531367 1.3078634542736562

Zr -0.0000000000003624 2.5718772132181584 0.8500538065004939

Zr -5.1012782363395894 -2.6364296026093825 0.6501678580946582

Zr 1.7192145445582483 -0.0000000000005116 -1.3119406089372934

Zr -2.6717886456172195 4.3338761549273386 1.6048078281990392
Zr -2.8088537610606963 -3.0606918870384447 -1.1893328479264529

204
Zr 2.8088537610613358 3.0606918870382742 -1.1893328479264529

Zr -1.7192145445613605 -0.0000000000005116 -1.3119406089372934

Zr -0.0000000000003624 -2.3923717023430413 -2.2405555336712997

Zr 1.4446541960929622 -4.5176842928408973 -3.4698101613925747

Zr -5.1012782363395894 2.6364296026104057 0.6501678580946582
Zr -0.0000000000003624 4.9505815903314101 -0.6892877175498189

Zr -4.4935908302690217 -0.0000000000005116 -0.8519482235053761

Zr -1.4446541960930048 -4.5176842928408973 -3.4698101613925747

Zr 2.5738797808298628 -1.6639657777505477 -3.9283359621198475

Zr -2.8088537610606963 3.0606918870382742 -1.1893328479264529

Zr -0.0000000000003624 2.3923717023406539 -2.2405555336712997

Zr 2.5738797808298628 1.6639657777519119 -3.9283359621198475
Zr -0.0000000000003624 -0.0000000000005116 -3.7349294080302844

Zr -2.5738797808300760 -1.6639657777505477 -3.9283359621198475

Zr -0.0000000000003624 -2.6004047036370252 -5.3475403322438675

Zr 1.4446541960929622 4.5176842928403858 -3.4698101613925747

Zr -2.5738797808300760 1.6639657777519119 -3.9283359621198475

Zr -1.4446541960930048 4.5176842928403858 -3.4698101613925747

Zr 1.4623948214561224 -0.0000000000005116 -6.1886231983128974
Zr -0.0000000000003624 2.6004047036341262 -5.3475403322438675

Zr -1.4623948214541187 -0.0000000000005116 -6.1886231983128974

Zr55 configuration: ∆E tot = 0.49 eV

Zr -4.2891146958405537 -1.9323525070923715 2.6779518706997010

Zr 2.4185978903790470 0.7052726431853849 -1.5850324140739076

Zr 0.6840474829492820 -3.8544443281102581 3.2716839231980543
Zr -2.1966080314912091 -1.8317996452388847 -3.5425481695881444

205
Zr 2.6123766306036629 0.8207847339913492 1.3482438940111479

Zr 0.7583358500327364 1.3431695216658177 -6.0243519895394124

Zr -2.4358039460556569 -1.6838030411114282 -0.0038574864620955

Zr -4.5912726540890256 -1.9818098069793386 -2.0734532990541084

Zr -0.2773731778597011 0.9307953646143297 -3.2713436982674580
Zr 0.7439529953971515 -1.4968161217625884 5.0421421582608446

Zr -2.0208656824829490 -1.1322376787631292 4.1599559272926285

Zr -0.0720166316187800 1.1276946276573945 -0.1330299035853386

Zr -3.0244871556648576 3.0892546225734527 -3.4214654226416883

Zr -5.1440163898693507 2.1290113640909745 -1.6040017970460099

Zr -0.0291298378277105 1.0826584293618744 3.1171878638281783

Zr -2.6903680240451280 3.6105915781254971 -0.3058374926752094
Zr 0.3910308909949691 -1.6220406645389112 -4.8736313750095528

Zr 5.0199797853473598 -0.5525354427613074 -2.7608476207068975

Zr 2.9426590108900683 -2.5820744086121117 -3.2818081702476434

Zr 0.2643531530840306 -1.6318664061788404 -1.7685887881056601

Zr 5.5255141684867937 0.0601442029018990 -0.0087050078007564

Zr 2.6487044257074928 -1.7677541117215405 0.0390169355251224

Zr 0.0188611027152916 -1.4979026290418282 1.7831758380053735
Zr -4.3504790503167650 0.4198646953191378 -3.8933092494755783

Zr 2.8550406073573669 -1.6298190968526960 3.4374050401414706

Zr -0.5887644098212235 3.4611993896973736 -4.8243517681501098

Zr -4.6841222864205614 0.9223725567870424 3.3708704905296258

Zr 2.0656359334861492 2.8977426362188403 -3.6192443604385289

Zr -0.3158955576160309 3.7210806399011354 -1.8693177226719513

Zr -2.5425389017080278 1.8545711928564579 5.0331472250730940
Zr 2.3332194221812443 3.6188736427780164 -0.2883512713978575

206
Zr -0.0527364605468250 3.8000179541637245 1.4224523347555191

Zr -0.3192999430064987 0.7970529659144354 6.0835795062242823

Zr -2.4782859971966644 -4.1723487951717111 -1.4390002995231157

Zr 5.0132502857703827 -2.9333246048582673 -0.9418545338087370

Zr 4.8417430036714251 0.8107102257685774 3.0305991504264398
Zr -2.1953755018150645 -3.8991946990509909 1.9421046541399960

Zr 5.1419470264377907 -2.0006817873268510 1.8778503070514567

Zr 2.3547630128107500 1.1299670413800591 4.8931170164481159

Zr -2.1454290371686255 1.0028914540667593 -5.4990707336596083

Zr 4.7194897795238973 2.2876410121266595 -1.8975430102782411

Zr -4.9861486068684693 2.6221200443277048 1.1563235366110121

Zr -2.7628508619521739 0.6721356006231822 -1.5003668547664688
Zr -4.7376708352463064 -3.4210599276374118 0.3753810352841320

Zr -2.6633492313452933 3.5713891616814699 2.8253647861428703

Zr -2.5614900539454055 0.8629548813198831 1.5480214886594013

Zr -5.3315490936919767 -0.3724517392394482 0.4670344410385461

Zr 0.0081747014854301 3.4280959319460926 4.6230826975155992

Zr 2.5483288661926196 -4.5586887204146755 -1.2678935915690204

Zr 0.1560715090352716 -4.1235922828851521 -3.0174753234384752
Zr 2.5998826754693170 3.3008465900121173 2.8643373640823597

Zr 3.1141324558037269 -4.1228337132343249 1.6046621289993936

Zr 0.1849492250555755 -4.1537220538060460 0.2324290341411448

Zr 4.8352308547619174 2.8143796352917043 0.9423907811354297

Zr 2.6867693098801766 0.0598698720411512 -4.4532300752395608

Zr55 configuration: ∆E tot = 0.64 eV

Zr -0.6558695130956380 2.4071106142467507 2.3336264197451992

207
Zr 1.9169094375256464 -0.2211582193664690 5.2776057517982071

Zr 1.1873759880994612 2.5487159771220895 4.8490574243067517

Zr -2.4767794707241251 5.9488367787764833 -0.7409547027836556

Zr -0.9925552699932041 0.7783803334688351 5.0603460826998248

Zr -0.5146020495994321 5.2598854488135931 1.1434250685639444
Zr 2.1669684331813528 0.8919809076227416 2.3235015939848171

Zr 1.8642220889449277 -2.9756762999248672 4.0413249261431456

Zr 1.2344923912988861 -4.5740238716185040 1.5028417938352145

Zr -4.4270888678580596 -2.6599163330442188 -0.5476670219742932

Zr 4.0281269609963601 1.9495013163677477 4.1638722653025280

Zr 5.1958735592344283 -1.8244830996162413 0.7914472348116970

Zr -2.6365155480341969 4.1589133430064340 -3.0684634962809714
Zr -1.2835180001277422 -1.1026039262150498 -2.6615879756295744

Zr -3.6789215593265112 1.4809801236705376 -2.2602125161433850

Zr -2.6648648122186955 -0.2532175668038512 0.2964554674135211

Zr -5.0470785041582635 -0.9455803791677617 1.8998846188115994

Zr -0.0640276338846775 4.8571444332245211 -1.9580006137556456

Zr -1.9159923509326973 2.9877122508157345 -0.3232341178018618

Zr -0.6415458304106778 1.8313320964170607 -2.8766066846851022
Zr -0.9224496226930796 -2.7189354305549891 0.0692129889387711

Zr 3.8949590836946868 -3.8402695174882915 2.2038444412360167

Zr 1.3233482110440491 3.2252539485955545 0.1007849950866540

Zr 3.7292661357359407 0.5609430375513007 -0.6583984754721559

Zr 1.5113982472830685 1.1957512995847601 -4.8159301342212197

Zr -2.9090458395328369 -1.4971392755743800 4.1733279864134243

Zr 2.1243084129906720 -1.8216994203700487 0.7365989531535302
Zr -3.3072565597660741 4.5603811329448991 1.7769700978001897

208
Zr 1.7082159468532723 -1.1111000495579155 -2.5754829011257261

Zr -0.9319205218709499 -3.8048753201126537 3.4155110536691478

Zr -4.6685272788309353 4.1642290118597476 -0.9235004073485715

Zr 2.1182385728274653 4.0175504968995757 2.8275516137476284

Zr -0.1353701280030464 -0.8425278817902999 -5.6403173912924567
Zr 4.0780496132232429 0.6196391952679114 -3.6173232840773739

Zr 4.6637511792094983 -1.9134822432368814 -2.5915017178614352

Zr 5.3507953196665881 0.7571661930189340 1.8516505653046789

Zr 3.4758555257953958 -3.8956010868123876 -0.7019390520761153

Zr 2.8801198862221895 -1.5775381906915236 -5.1785946824972493

Zr -4.5810802144384857 1.9712775514093615 0.9748364867443815

Zr 0.2326111592314533 -3.3700811713710941 -4.4119144112463582
Zr -2.4317120139911026 -3.8285878097201866 -2.6317973850561902

Zr -0.3498852947384989 -0.9902711911558235 2.6001927931026803

Zr 4.1133065580266930 3.0666286050230447 1.1833158385297811

Zr 2.2939060100225674 2.4746661380801989 -2.4453549401467303

Zr -3.1287160978919246 -3.1413361173514822 1.8529166300199353

Zr -5.6515701368688829 -0.0578670252550459 -0.8172935074308061

Zr -2.6463619091612145 0.5601073217838639 -4.8331361152756935
Zr -4.3018522507622938 -1.4192922813117939 -3.0941568778358732

Zr 0.2797792801327432 0.4585427292897339 -0.2057061301310359

Zr -3.2880347913871901 1.2445037751689547 3.2628370430453533

Zr 2.8895668117857554 -3.9603596527890481 -3.5199343677364272

Zr -2.4610211942460296 -2.3480805982071438 -5.1105899437159801

Zr 0.6299202120396785 -4.0677398967609228 -1.6443048725826106

Zr -0.4155860423307445 -1.9717057687683273 5.5480634805525693
Zr 4.2383842818113635 -1.2419844353930607 3.5929001114234342

209
 Zr55 configuration: ∆E tot = 0.92 eV
Zr 0.0259319751605904 0.2497160669165606 2.6427347145902562

Zr 1.5955039503876556 0.0846985675296423 -0.1618140065448070

Zr -3.1038941520372259 -2.8937163631611629 4.2934858530980176
Zr -4.7047059040822159 -2.1683114924611022 2.0988014387308116

Zr -0.0876315322654317 2.7227282872573806 0.7365974184040969

Zr 3.1435265854805312 -2.8063485996616482 4.1329959947368824

Zr -1.3436533644674409 3.0285654831945958 3.3280658854995071

Zr 3.3935674997178058 -2.3276404985072663 -0.6655944598284460

Zr -1.5173281068294227 -0.4110567053672316 5.1481587339134425

Zr 1.4398047394042415 -2.4164649886688512 1.8367246699183628
Zr 3.0135379290469082 2.7356232980821442 1.0215209395815013

Zr 1.4883815727940988 -0.3076871211219459 5.1812099845490369

Zr -3.3006540454716582 -4.6029373273271998 1.6532461114853962

Zr 4.5991019819333161 0.3968552319785186 -0.0024925024523892

Zr 0.1604398623001817 2.6568559370890608 -4.8802821733526445

Zr 3.2518549183597134 -4.6348195318673246 1.4883832630818237

Zr -3.5773669310607215 0.0958006576749426 -2.7319700685475592
Zr 1.6533519758236981 0.0897522579858787 -5.0727794071349637

Zr -1.4747469326079408 -2.3779488934843602 1.9151831681394587

Zr -2.2717044438859215 -2.5544142123852129 -3.3916984008797382

Zr -1.6610254941088396 0.2033191636931519 -5.0052366330962501

Zr -3.0304663752572605 0.2423272181728748 2.6514700259460486

Zr -0.0001939745889512 -0.3454839739687277 -2.7108684118671587

Zr -3.0542320567889600 2.9085528019517692 -4.1714192163380277
Zr -0.0289057931300771 -5.1883498581929670 1.1627099105010910

210
Zr 4.3247041415667837 2.9807098178458187 -1.8599048689983757

Zr -0.0585424203468801 -2.2063920946529283 -5.2418113266551574

Zr 3.1016291411056773 0.1428881981373138 2.5986145438895054

Zr -1.4410750900449738 2.3081006369562242 -2.0275582229928997

Zr 3.2054108228966403 2.4733215190125275 -4.4757892853919872
Zr 1.6763628339707157 2.6338200091004165 3.6807624114242348

Zr -4.5785506969941547 2.5597223091494339 -1.6997807649966941

Zr 1.1280683305789871 5.0579014427202633 1.9339270360161098

Zr 4.7310546629626771 -2.1848680701889425 1.8811375346303105

Zr 2.2295202820545388 -2.5495649428709743 -3.4026803062147106

Zr -1.6965281953543876 5.2583640715482129 1.3777242274613517

Zr -1.6784389740570713 0.1393110590233260 -0.1239719039378198
Zr -0.0227229074543356 -4.3583737119187758 -3.5343669002287808

Zr 0.0462676381655065 5.4607529849477583 -0.9449897868902095

Zr -3.3045081657486843 2.8157211237756865 0.9220503119172161

Zr 1.4839174666250461 2.3668501229009831 -2.0488265178861180

Zr -2.8764145026745336 4.8305936374073877 -1.3716155247969137

Zr -0.0565873030773059 -2.3749153386861526 -0.9336891819955664

Zr 3.5983579763971125 0.0677816603677552 -2.7484841550462189
Zr 2.8333925748136313 5.0540820835437312 -0.5422930372269317

Zr 1.6435426305778993 -4.7376987297652731 -1.2329469996496751

Zr 1.4833468915594104 -5.0576753118929245 3.6606247545345472

Zr -1.0007244455240834 4.9273323279334686 -3.5949164043548532

Zr -3.3999740857888536 -2.3748216324992786 -0.5500180115214786

Zr -1.4198572735087804 -5.0896907107183464 3.7131172035841704

Zr 1.9841688329125464 4.8510803579317763 -3.3389919964741122
Zr -4.7124580828856164 0.2126744010132011 0.1318010870334927

211
Zr 0.0071280783938779 -2.7969312760841394 4.8395557361988839

Zr -0.1945496834469918 1.9589389595183775 5.6623811305826397

Zr -1.6444343615010393 -4.7486303089077095 -1.2261936141474390

Zr55 configuration: ∆E tot = 1.86 eV

Zr 5.0257012301218484 -2.5211280254521338 -1.9205940146384677

Zr 5.4631002499487469 0.2428984964346856 -2.1436033035517283

Zr 5.4511310523836816 3.0924675565029762 -2.3698110131543757

Zr -4.6265228475714988 -2.5672834470966617 -2.2198591141357582

Zr -4.1602581251598334 0.2237936331504731 -1.2391687008276193

Zr -4.4424331727574380 3.0911010545333912 -2.1449767462332119

Zr -2.4414883324538490 -4.2900231338692887 -2.1599979300541889
Zr -2.1651097631525484 -1.3462047686767331 -2.9585779886089512

Zr -1.7692600104402967 1.6218261020015294 -2.4821052731774529

Zr -2.0494128975435100 4.5097892897624590 -1.8936023967828959

Zr 0.2102693902676798 -2.7068086451486746 -2.8958880669432432

Zr 0.0458787712689137 -5.4712655313144918 -2.1100291559356350

Zr 0.5369647067174661 3.4929172377695128 -3.7376923532039967

Zr 0.5336071576698451 5.8199862042458150 -1.7183867313329273
Zr 2.4520144925417036 -3.8782061916459778 -1.4057108488167245

Zr 2.8994341086089968 -1.0209872911947340 -3.1451095040708168

Zr 3.2074090305875380 1.9152032913520944 -3.7867338501844046

Zr 2.9328379679243390 4.5783176941678718 -2.4511561217519073

Zr 4.7702153562404934 -3.8270194951207426 0.5242015124008077

Zr 6.0802075367130275 -1.1152084744973703 0.5013501447169944

Zr 6.0391295562924885 1.9796340870926716 0.3125675025130050
Zr -5.9122081178230754 -1.7661898325486671 0.0590087791806155

212
Zr -5.8111482907880312 2.2086380989667820 0.0818061986897334

Zr -4.4244717114475005 4.9225389701857054 0.2574616574673456

Zr -4.4878506786863621 -4.5075176340010952 0.0694678657128094

Zr -2.8836211370981513 -1.9923790440365732 0.3516029558717975

Zr -2.7465455416023072 2.5199697036363151 0.5696261541079508
Zr -1.1939932922862280 5.3565051272456046 0.6447683904991237

Zr -0.1680054678241216 -3.4432763009105596 0.2991451123871371

Zr -1.7774438258039194 -6.0708044866839312 0.1698604871582603

Zr 0.1808938590962690 2.8725583633099010 -0.7860585180460333

Zr 1.9283810931348704 4.6671877147995176 0.6705173642882443

Zr 1.2728335552262671 -6.1591492356813031 0.2253092716301950

Zr 3.0727100950563759 -1.2950001425391005 0.1108211571977478
Zr 3.1892195179956353 1.9074888195344730 -0.7213230702767959

Zr 4.7785766157783716 4.6639731206010921 -0.1606329698152393

Zr 4.3740343536318225 -2.0955452667706762 2.7890825248116045

Zr 4.4580205307705629 0.6038348666344238 2.3830872074025962

Zr 3.9619594188038683 3.2683501718535641 2.0960811880119792

Zr -5.0233911524893582 -2.8118615475524447 2.4501161155358346

Zr -4.5265154166680812 0.1753027484261853 1.9892655466058073
Zr -5.1261012441516467 3.1189442052897736 2.5915871185751058

Zr -2.7314969891432437 -4.5172680691521290 2.5607212194877462

Zr -2.7042573648816468 -1.6772623491640442 3.6080095056207284

Zr -2.7031679536730220 1.9199896123632190 3.7254674973933248

Zr -2.8800558328061410 4.6919070201283191 2.8399902267189674

Zr -0.2956050116629907 -3.0309933910948015 3.5223966308527821

Zr -0.1089377537751428 -5.6420847241889813 2.5466169314007203
Zr -0.3742793760703247 3.2918021730883371 2.6633312461661518

213
Zr 2.2309747872462218 -3.8470932362388961 1.9405926774050073

Zr 1.5548212047792678 -0.9217748931261038 2.8047510060950600

Zr 1.4906733357650488 1.4773825097502087 1.5396647161349648

Zr -1.2051868995619142 0.1571609774151685 1.8832932143429417

Zr 0.0634146013151131 -0.4023593266935048 -0.7852525044160501
Zr 0.5343546314358001 0.5332256341575832 -3.5452989504245664

Zr55 configuration: ∆E tot = 2.44 eV

Zr 4.9949060551367932 -3.8275565747113092 -3.0839525042998925

Zr 4.8267876959282869 -0.9521849445602015 -2.8788621982305553

Zr 4.2210223245997707 1.8674686820484681 -2.6373522217541190

Zr -4.1705369708758173 -2.9062760471489923 -2.4388685957778957
Zr -4.4488395188962233 -0.0591878435022863 -1.7287293506639880

Zr -4.7866081793621635 2.8737971111813749 -2.2863379405379387

Zr -1.8438196548395656 -4.3814717630064024 -2.3707769467128141

Zr -1.9379230428500893 -1.2370918747490123 -3.1494037741220691

Zr -2.4301995314393441 1.6976155252119156 -3.2411724599211507

Zr -2.5093224583503417 4.5668275499346009 -2.3003238892062736

Zr 0.4269139899917871 -2.2528975763409562 -2.3484691382619953
Zr 0.8156081119451812 -5.3095191842018039 -2.2022515460272611

Zr 0.0156158271180633 3.0303703589993347 -3.1577613380762468

Zr 0.0000060818722147 5.8066836898557881 -2.3132682643038347

Zr 2.9949064411456146 -3.7704865795557225 -1.2102888430308294

Zr 2.6300697715855961 -2.6263448605318445 -3.9574841797243803

Zr 1.8665599257311367 0.2824256050081999 -3.4029003328067997

Zr 2.3063260044327478 4.0563670308743554 -1.7101292093224369
Zr 2.8033608476771104 -3.3388695447766281 1.6958235237299650

214
Zr 5.4067040955606824 -2.3273772721668706 -0.2692218610360637

Zr 5.7091367192055866 0.6549911306532294 -0.4070402716569870

Zr -5.5987403217723415 -2.3634731581825008 -0.1688441163239727

Zr -5.9145932839152540 1.9630094918188092 0.0706191094090887

Zr -4.3367780943009695 4.5725843937590298 0.1522716831179114
Zr -3.7301913549912076 -4.7481981983896731 -0.1425664168286485

Zr -2.5160317467914712 -1.8301885671647824 -0.0149836191701151

Zr -2.8686022192897287 1.9475695848522037 -0.0727323113684601

Zr -1.7088957619706964 6.2788618873479436 0.1557312562727962

Zr 0.0708226782046779 -3.5735821915931183 0.3373646968080184

Zr -1.0953717460023160 -6.2648985898587171 -0.0112730643122259

Zr -0.1835260306096718 3.7461684427546516 -0.0446458277545130
Zr 1.3263004735803445 6.4245010336040309 0.0248758294313607

Zr 1.9358494874530532 -6.1113102463024802 0.2530184249459158

Zr 2.6760423689262041 -0.9838899223451563 -0.7735720876167047

Zr 2.6316478155552261 1.6550764856449405 0.1252536392200145

Zr 4.8611365375715803 3.5655604701997845 -0.5132441022874641

Zr 4.5743134918675121 -0.5091064665371050 2.0684939571369600

Zr 5.0624672066938086 2.2865366094555384 1.9537300384790601
Zr -4.4137211729102734 -3.1032175301589291 2.1985494312012666

Zr -4.4902091778542133 -0.2232747591901898 1.6411218970788273

Zr -4.5632341100278229 2.6084912101397322 2.3935412697089564

Zr -2.1058052661784661 -4.7053246365464929 2.3878947840926035

Zr -2.2060220710450000 -1.7042643737148069 3.2519941642200170

Zr -2.0386600898735612 1.1268569251645886 2.7852759339576014

Zr -2.3604458719694623 4.3397336258772157 2.3909822791911015
Zr 0.2683898114650276 -2.9522220019596261 3.4220734678104154

215
Zr 0.2636961297982054 2.5870601129365127 2.7420151585963399

Zr 0.1617081444363446 5.5597200361523278 2.3981481624764260

Zr 0.5802505405635259 -5.6560031403784592 2.4667636555206887

Zr 2.6551230460272830 -1.4420732941057963 3.8814003903227476

Zr 2.8201435980826357 1.4367491611711216 3.5390073272049367
Zr 2.6056014952094682 4.1090551166921614 1.5781580303499627

Zr 0.2627076470648415 0.0351595666693925 4.4867773599765801

Zr 0.6303983755544493 -0.4989908232554967 1.6344137176880427

Zr -0.1464450638688692 0.5800411269281085 -1.1988427768121337

Zr55 configuration: ∆E tot = 3.63 eV

Zr 1.5921613923976921 1.8565093001127071 1.3131598227238790
Zr -3.9575431722790420 -3.1800902835632048 -0.2590881145433315

Zr 0.7298289445143222 -3.5148475485714652 3.9269437496279380

Zr -3.6144090218911256 1.3807245572624538 2.4229436812664069

Zr 0.9751631206695723 -0.0160718736430105 -1.4678550164594846

Zr 1.5923768049223526 0.0188109263944582 3.7322600846847820

Zr 1.4659734863657903 4.7936186355526562 1.2087198785735342

Zr 1.1508323972080987 3.3774543629294556 -1.2378970287068256
Zr 3.5232916731561392 4.2921703546585466 3.1058746408995006

Zr 1.5326257849414411 -1.8587602307268583 1.2712490769053595

Zr 1.1155730870742264 -3.3856644724829064 -1.3010042340609651

Zr -1.1535195114836228 1.4371946220352392 4.0776228768345284

Zr -3.7173923235809117 -1.4191048896291409 2.3867633870222402

Zr 3.5497759185647109 1.5253156815108913 -1.9301053465756155

Zr -3.5868632677023715 -0.0170185441417487 5.0047577964114431
Zr 1.3469886614973934 -4.7938555022600600 1.1765200304415693

216
Zr 3.5481192020953980 -1.5505678663954949 -1.9359865695996383

Zr 4.3109093119188202 -1.5909185659252856 3.1437206428368363

Zr -1.0197436965907425 0.0578288259321820 1.2307940286705410

Zr -4.4573871230853559 1.5147770901846140 -2.7712398541502061

Zr 3.3524215663515111 -4.3177881399025857 3.1063756518836279
Zr -1.1273286254498434 3.1229041572467064 1.4363271716207393

Zr -4.5070901618096446 -1.5055703956235575 -2.8264504737238845

Zr 0.9062910977157870 3.5172996320805652 3.9939472106448406

Zr -1.2155281230800146 -3.0489720480350737 1.3074285861910191

Zr -1.5014242976258689 0.0095488396942223 -3.8260758498411818

Zr 4.3407812158707344 1.5036836541998024 3.1350868046873046

Zr 3.8131772079530020 -0.0286407247183895 0.5471804875088111
Zr 3.1127925596386152 0.0031157297249127 -4.1451087609540211

Zr -3.6768923819864945 0.0275954994037590 -5.5861849960369847

Zr 4.0589083250219886 3.1668560437818414 0.5875418713182334

Zr -0.6882719784379265 4.3737658777074895 -3.4894215630241092

Zr -2.8706983439217861 2.7611854504835218 -4.8056383044732813

Zr 3.9913190296568271 -3.2352909800039438 0.5892601586309461

Zr -3.4546399518904956 4.3158519883465178 -2.6516019580513550
Zr -2.9110660996016637 -2.7210069901702525 -4.8964351235561496

Zr -1.5361005050622385 2.0239402709082448 -1.5675072587908225

Zr -0.7146459496702438 -4.3296953444396280 -3.5961793171182173

Zr -1.0999258443599587 1.4955881626525294 -6.4855313299931501

Zr -1.4492272556587640 4.9551159303353973 -0.7426557456797234

Zr -3.4895813670905085 -4.3033834531817945 -2.7895422826995251

Zr -1.0954322693176977 -1.4574376360997885 -6.5020522547015682
Zr -1.5873689053790567 -2.0174222251783984 -1.6417582677520279

217
Zr 0.8729813833726752 1.9566809939827721 -3.9535739177487130

Zr 1.2199697540146914 0.0169781963983038 -6.1511799834432717

Zr -1.4930997794667835 -4.9493180389863642 -0.8674605749524993

Zr 0.8884462074083377 -1.9420954492837552 -3.9893511756872364

Zr 3.5826872610793821 -0.0443097450926118 5.8750765122485156
Zr -3.6779189235181828 -0.0384158597151600 -0.2812404969768849

Zr -1.2505654389261718 -1.4357632471945792 3.9485168824892334

Zr 3.2899324358846549 2.8174690686533825 5.4473926436658964

Zr -3.8694042306941743 3.1557745001690538 -0.1392470784783733

Zr 0.9591278153793965 1.4809799168179012 6.2519909965516938

Zr 3.0993329875808726 -2.8511187516647691 5.4299278481724897

Zr 0.8012799173062870 -1.4056094625302169 6.1799903552670727

Zr55 configuration: ∆E tot = 5.00 eV

Zr -0.0000000000000142 -0.0000000000000142 -0.0000000000000142

Zr 2.1855359531714242 2.1855359531714242 -0.0000000000000142

Zr -0.0000000000000142 2.1855359531714242 2.1855359531714242

Zr 2.1855359531714242 -0.0000000000000142 2.1855359531714242

Zr -0.0000000000000142 2.1855359531714242 -2.1855359531714527
Zr 2.1855359531714242 -0.0000000000000142 -2.1855359531714527

Zr -0.0000000000000142 -2.1855359531714527 2.1855359531714242

Zr 2.1855359531714242 -2.1855359531714527 -0.0000000000000142

Zr -0.0000000000000142 -2.1855359531714527 -2.1855359531714527

Zr -2.1855359531714527 -0.0000000000000142 2.1855359531714242

Zr -2.1855359531714527 2.1855359531714242 -0.0000000000000142

Zr -2.1855359531714527 -0.0000000000000142 -2.1855359531714527
Zr -2.1855359531714527 -2.1855359531714527 -0.0000000000000142

218
Zr 4.3514183635975741 -0.0000000000000142 -0.0000000000000142

Zr -0.0000000000000142 4.3514183635975741 -0.0000000000000142

Zr -0.0000000000000142 -0.0000000000000142 4.3514183635975741

Zr -0.0000000000000142 -0.0000000000000142 -4.3514183635976016

Zr -0.0000000000000142 -4.3514183635976016 -0.0000000000000142
Zr -4.3514183635976016 -0.0000000000000142 -0.0000000000000142

Zr 4.3534981933437820 2.2336918537057358 2.2336918537057358

Zr 4.3534981933437820 2.2336918537057358 -2.2336918537057642

Zr 4.3534981933437820 -2.2336918537057642 2.2336918537057358

Zr 4.3534981933437820 -2.2336918537057642 -2.2336918537057642

Zr 2.2336918537057358 4.3534981933437820 2.2336918537057358

Zr 2.2336918537057358 4.3534981933437820 -2.2336918537057642
Zr 2.2336918537057358 2.2336918537057358 4.3534981933437820

Zr 2.2336918537057358 2.2336918537057358 -4.3534981933436390

Zr 2.2336918537057358 -2.2336918537057642 4.3534981933437820

Zr 2.2336918537057358 -4.3534981933436390 2.2336918537057358

Zr 2.2336918537057358 -4.3534981933436390 -2.2336918537057642

Zr 2.2336918537057358 -2.2336918537057642 -4.3534981933436390

Zr -2.2336918537057642 4.3534981933437820 2.2336918537057358
Zr -2.2336918537057642 4.3534981933437820 -2.2336918537057642

Zr -2.2336918537057642 2.2336918537057358 4.3534981933437820

Zr -4.3534981933436390 2.2336918537057358 2.2336918537057358

Zr -4.3534981933436390 2.2336918537057358 -2.2336918537057642

Zr -2.2336918537057642 2.2336918537057358 -4.3534981933436390

Zr -2.2336918537057642 -2.2336918537057642 4.3534981933437820

Zr -4.3534981933436390 -2.2336918537057642 2.2336918537057358
Zr -2.2336918537057642 -4.3534981933436390 2.2336918537057358

219
Zr -4.3534981933436390 -2.2336918537057642 -2.2336918537057642

Zr -2.2336918537057642 -4.3534981933436390 -2.2336918537057642

Zr -2.2336918537057642 -2.2336918537057642 -4.3534981933436390

Zr 4.2411312695410714 4.2411312695410714 -0.0000000000000142

Zr 4.2411312695410714 -0.0000000000000142 4.2411312695410714
Zr 4.2411312695410714 -0.0000000000000142 -4.2411312695410990

Zr 4.2411312695410714 -4.2411312695410990 -0.0000000000000142

Zr -0.0000000000000142 4.2411312695410714 4.2411312695410714

Zr -0.0000000000000142 4.2411312695410714 -4.2411312695410990

Zr -0.0000000000000142 -4.2411312695410990 4.2411312695410714

Zr -0.0000000000000142 -4.2411312695410990 -4.2411312695410990

Zr -4.2411312695410990 4.2411312695410714 -0.0000000000000142
Zr -4.2411312695410990 -0.0000000000000142 4.2411312695410714

Zr -4.2411312695410990 -0.0000000000000142 -4.2411312695410990

Zr -4.2411312695410990 -4.2411312695410990 -0.0000000000000142

Pt6 Zr49 configuration: ∆E tot = 0.00 eV

Pt 0.1022827316438341 -0.0037873880880078 -0.0088665101289179

Pt -1.3202125530012818 3.8878401478011906 -0.7912840383247024
Pt -3.0720012572744402 -0.9431586779705980 2.4591031215024248

Pt -3.0902590692754579 -0.1015481643520644 -2.1827477858532571

Pt -4.5534670992791533 -0.7093977878018360 0.1936555410464049

Pt -3.3772518844851849 2.7460970802907445 -2.2208092718371226

Zr 0.2766590385354330 1.3911861872753291 2.5551221474200156

Zr -0.5049614215586598 1.6719694671159264 -2.4631055017416088

Zr -0.3367004430645988 -1.4029901435458008 2.6530612627229928
Zr -0.1953609608515788 -1.3798308098873189 -2.4901716553418396

220
Zr 1.1389798487633502 2.7246730339784735 0.0386593507113348

Zr 1.3549729053909827 -2.4748197197065886 0.1326113609567303

Zr -1.9094553856331036 -2.1603246361930006 0.0185006690932196

Zr 2.6526589819704505 -0.0981327266770958 1.4453021038175804

Zr 2.4720765812717893 0.2387020624444560 -1.4472378977802156
Zr -5.2480242556454080 1.3951938766448670 -1.0191503585034487

Zr -0.0218770574381022 2.9095064574490470 4.8984493491178842

Zr 0.0166632734950207 2.9037676470221561 -5.0791416685665460

Zr 0.0843336371382879 -3.1037137291504502 4.9713781491434865

Zr 0.0484503863946450 -3.0321410666260986 -4.8199065174978948

Zr 2.9714256557483107 4.9615274402740450 0.0568622701690604

Zr -3.8825490653207986 3.8487504602663840 0.1798848508228696
Zr 2.9328274736062498 -4.8516826561672923 0.0653883969758448

Zr -3.0814755939502820 -4.8744998440522904 -0.0633551710972229

Zr 4.9373768255627404 -0.0563646833619174 3.0058589284219774

Zr 4.8434500341934683 0.1008978497751045 -2.9321793795606528

Zr -4.4132984673232709 1.5255350865765991 2.0628992054155537

Zr 0.2146411345626369 5.5919549175938110 0.2771682690372136

Zr -0.0925612487311849 -5.0615299016411184 0.0684274968117482
Zr 5.2899724929855925 0.0181225228155617 0.0229894058099458

Zr 0.0821240114454280 -0.0485640233088407 -5.1815212131176800

Zr 0.0754022315607496 -0.1038529623430680 5.4041555258970853

Zr 1.5844370422195215 -4.1483868961427239 2.6455210850671493

Zr -1.6017160014625720 -4.0304065981776604 2.5261153001415959

Zr 1.5100584057821926 -4.1265737704707304 -2.4533537650839232

Zr -1.5591442627854413 -4.1486045893511223 -2.4781446042096213
Zr 4.0255027622369699 -2.4310145046943328 -1.3712453216116030

221
Zr 4.2699232365250213 -2.6824160191579383 1.6377793547615129

Zr -4.1680524892776045 -2.6189617933644245 -1.7579153852456775

Zr -4.4740784941786540 -2.9821488698219936 1.5210731504358599

Zr 1.4463506512563402 4.1018599166203327 -2.5526903873951898

Zr 1.5930841754793770 4.1350491987405773 2.6584270003883255
Zr -1.6880845144656913 4.3528376730279916 -3.4138273082425243

Zr -1.5820784275339950 3.6054819268004419 2.2548291308118555

Zr -2.5846383378361111 1.4024732053432472 -4.4882920071717614

Zr 2.4450169498020529 1.6124079203399380 -4.0019814495000468

Zr -2.4655568116172510 -1.7286856848398624 -4.3315543330196640

Zr 2.5377170598726480 -1.5856964245634007 -3.9371465283175056

Zr -2.2225668500550295 1.2579029805987043 0.3071439556801893
Zr -2.4492723490168498 -1.8309540958492032 4.7922613297650036

Zr 2.4901851531839760 -1.6088974747874765 4.0108961447474414

Zr 2.6771206028237291 1.5023858763397648 4.2671667116736689

Zr -2.3009478456632007 1.2224699024325247 4.2483644882473079

Zr 4.1431448165797065 2.6717062833539709 -1.4580942259431564

Zr 3.9787540466943998 2.5487865211730627 1.5646672284785039

Pt6 Zr49 configuration: ∆E tot = 1.09 eV

Pt 0.0022434664382323 0.0106917911170698 0.0142117863023793

Pt -0.1820847087837316 -1.5511517218628292 2.3884125023069558

Pt 1.2372102608807005 2.6948850088322627 0.3235397870132478

Pt -1.4387999014635520 -2.4693957098121060 0.0269810917484393

Pt 2.4142530689732404 -0.2164092521329509 -1.5961030414893356

Pt -2.4045235403540430 0.0009395407772021 1.5310270799590999
Zr 0.0188555251770579 1.2338815295724970 2.5427851091847362

222
Zr 0.2571952534462494 1.7282139154590836 -2.2041330803159216

Zr 0.0553957322628913 -1.4002760973937776 -2.4363565963294551

Zr -1.5966716751771324 2.3132696979859433 0.0003997247631135

Zr 1.3773309671856737 -2.4386215777965172 0.2095706402581713

Zr 2.5463054602919892 0.2214825704742106 1.1773660442140808
Zr -2.5007957470821345 -0.2939193962936558 -1.3501845682910909

Zr -4.8546913296761645 -0.0526128250978756 -3.0297052734462024

Zr 0.0601168641449184 2.9433496171482019 4.8899077300540839

Zr -0.0105761013256236 3.0074210723403234 -4.8147178566572109

Zr 0.0143877328184437 -2.9883419401544624 4.7984844950436756

Zr -0.0120145472303592 -2.9695752755966498 -4.8505606493127846

Zr 2.8883403087853918 4.7265476838564497 0.0479759052856991
Zr -2.9640938058519555 4.8225065923981818 -0.0579055883807110

Zr 2.9795485892614999 -4.8543002979324603 0.0047738129233085

Zr -2.9246376340185711 -4.7293617355702819 -0.0252137983185089

Zr 4.8350163055761985 -0.0279809230760340 2.9597125408246052

Zr 4.6681796545749936 0.0092561262422738 -2.9105864242046593

Zr -4.6902659848468566 0.0869677795386578 2.9077146420823308

Zr -0.0698207752856789 5.1195720832722929 -0.1892328227200702
Zr 0.0271174428236789 -5.1375702071994445 -0.0476469206378683

Zr -5.1291582868188925 0.0855117803991098 -0.0392316379204070

Zr 5.2285086241538909 0.0340127926598767 0.0136271516034442

Zr -0.0481946881430859 0.0095130042767308 -5.1333743609970188

Zr -0.0093119011123581 -0.0109202399605580 5.2363823614062586

Zr 1.5596112566360978 -4.2638596359600269 2.5443754222966577

Zr -1.4552245970186310 -4.0561189847690811 2.4667636087760192
Zr 1.5907272705365154 -4.1311302395445457 -2.5646519406009176

223
Zr -1.5411857410045007 -4.0151087430775361 -2.5210330577508095

Zr 4.0525837243560323 -2.5595282730193101 -1.4829063584280104

Zr 4.1698256922523909 -2.5817609768185004 1.5600869663214179

Zr -4.2471932918444306 -2.6306087561761546 -1.6274964759272714

Zr -3.9492529249812356 -2.3733823899216513 1.4053945865631372
Zr 1.6074327720116204 4.2966034288992683 -2.6636705348942957

Zr 1.6932881629911700 3.9771766252001481 2.7174934243226572

Zr -1.5755584188447729 4.2788814993915052 -2.6595297348796141

Zr -1.4406297322309400 4.0792097798172584 2.4955059962862105

Zr -2.3783927582459774 1.4644220217343757 -3.8651455199410378

Zr 2.4887161280427503 1.5646070162830525 -4.1836523231786966

Zr -2.6146129172490595 -1.6615032003302226 -4.1880397900440460
Zr 2.5217711790945585 -1.6209396470203530 -4.1993095284211339

Zr -4.1054019151502104 2.6048519704548068 1.5504670604044108

Zr -4.1071328218321685 2.5352476236550197 -1.6594657832487465

Zr -2.3982498073904011 -1.4422844576881098 4.0632488059371479

Zr 2.2937550972542575 -1.4830803879402972 3.7423561159250189

Zr 2.6336576863671675 1.5223395891253559 4.2437297311380444

Zr -2.4995082233045891 1.6634513085914200 4.1329473615177914
Zr 3.6598537401008806 2.3380055289217663 -1.3883260322977422

Zr 4.2667558098285632 2.5869239137210571 1.6929382141714149

Pt6 Zr49 configuration: ∆E tot = 2.18 eV

Pt 0.9996373824736345 4.3837008836307856 -2.4735880087133606

Pt -2.9084758797395005 3.4339938263931113 -2.5770077475800091

Pt -1.4145370533531596 4.4804954552209093 -0.3036661369260940
Pt 0.6404626276474922 -4.7574548504046197 0.2459784088777071

224
Pt 0.3738835139730107 -3.8878781405718064 3.1959304328948437

Pt -2.9148507115851765 -4.1464313687892149 2.0977007128046838

Zr -4.5219450208967817 -1.7997249160971682 -2.5724571490381405

Zr 5.2691491423002628 1.5454269872477990 -1.0083652930604756

Zr 2.2736916890493837 -2.6048879839225583 1.9055255633763892
Zr -1.7720585262137425 -5.2561122775070634 -0.5472762331197003

Zr 2.6138562125069718 1.2079009542260080 1.5658563531928877

Zr -1.7429506119655562 -2.4687904568856629 4.2009927033518615

Zr 0.5888223243573073 -0.1904261025263372 -3.0064627887161319

Zr -0.8781376920867835 2.3631315114439300 4.6175833512567159

Zr 2.0656874863447690 -3.0113050771903067 -1.1180180469826808

Zr -2.1326161743304959 -0.2571495900848140 -1.1949932343847507
Zr -2.5363439446689875 -1.0788724462151071 -4.3733415532864761

Zr -0.8913728382806759 -2.6751456833900624 1.1420040750313121

Zr -5.0751280039549318 1.0114541951398106 2.4606568539415465

Zr -4.9049471858125901 -0.3476357224746698 -0.0446172161666112

Zr -4.3774742483667399 -1.9176487490687668 2.6804313510188567

Zr 4.3000689105060825 1.7607908480164038 -3.6762418251870455

Zr 2.3460601983445746 1.7350429271356571 -1.3602554273394361
Zr -0.3638743159491916 2.0973384149323575 1.3277210110346147

Zr 4.3691083872457295 -1.1208372356364498 0.3745555876240048

Zr 3.8262516223113185 -0.9204386217193337 -2.4377655384654955

Zr -3.2238400498909976 2.8378175996176420 3.1873936183397436

Zr 0.2554416522804793 -0.3731880390741003 3.0491151602131512

Zr 0.9180198120641428 -0.5436467170738046 0.0098672852222450

Zr 1.4740523293330179 -2.1451742717084334 4.9531369177457840
Zr -3.1697987596700039 0.2144070002637246 4.6810868617727728

225
Zr -2.3972708222212753 0.0126350059004858 1.8184532767581942

Zr 5.5842286061942570 1.1040479419063214 1.8370562523630867

Zr 4.2454244396589171 3.6494516104417922 0.9528692404397276

Zr 3.6271612171988896 4.1243832531049289 -2.0840716767484051

Zr 1.8405214841718143 1.0937659278828074 5.0741158077032686
Zr 1.5443695608679044 3.5863092706140147 3.2105804247878527

Zr 1.3465650174482711 4.2796829662017100 0.2187646357380146

Zr -1.6407758923165707 1.7274891342879410 -4.4749523122657671

Zr -0.9799700874474290 -2.6237296838520683 -1.9015364686004517

Zr -1.1228778017103755 4.6433455886014849 2.3005812254679685

Zr -0.7351164885219980 -3.2510767377203456 -5.0332566507859120

Zr -3.7206233927512806 -3.0899762441077518 -0.2355052518834639
Zr 3.8448682074683949 -0.6521511974787790 3.5270126300324622

Zr 1.8726378367082483 -2.7395357584129192 -4.1213520782752617

Zr 1.3684765953164069 2.3898597213495005 -4.3458530271458891

Zr -0.5731977887131045 -0.3554407213705622 5.9096786006778679

Zr 0.1294999553181363 -0.3601776459987240 -5.7888490368623557

Zr -0.5929659426526989 2.3626857611047622 -1.7479624865703698

Zr 4.1390109750916064 2.3829253717366665 3.7762857709686304
Zr 2.8557044329022152 -0.1575981264967572 -5.1120983423762674

Zr -3.3847627805095493 2.4368760807271626 0.1139280790396271

Zr -2.8153650301375586 -4.2179207349032799 -3.2577653206897677

Zr 0.1991694186521734 -5.0243166228388167 -2.8326715849190092

Zr -4.1205539939882545 1.1097134863925699 -2.8049317555864914

Pt6 Zr49 configuration: ∆E tot = 2.72 eV

Pt 0.4422730451657604 0.6688765476865952 -6.2080162941323351

226
Pt -1.9738684453391524 3.2643129599009781 -2.7833725169231229

Pt -4.7220090137302888 2.5297729878626725 -0.8384996114070303

Pt -5.0710368607563820 -0.8078280030371006 -2.4673382263572989

Pt 0.7900456126417030 4.1821287148228103 -4.4727720522046184

Pt -1.9971505620997358 0.0498508696993709 -4.4789015344562131
Zr -4.6461693587434949 -2.2341102359361416 2.0135375791863908

Zr 2.2814066485766751 1.0187390009309794 -1.7834018085399066

Zr 0.7826679345222065 -3.9589031480772250 3.1406697689883458

Zr -2.8462317265592980 -2.1356952763823487 -3.2273012208819978

Zr 2.5826882658909915 0.8700112163054015 1.1513276605160740

Zr -2.3887777682707871 -1.9388877730881817 -0.1039806105522984

Zr -4.9768749143637789 -3.0005359985660065 -0.8969993901985730
Zr -0.0195588836623155 1.7307460936717276 -3.8041026421301467

Zr 0.2404176788138248 -1.5907245162903636 4.7760253235706500

Zr -2.4990490491248090 -0.7899386704138878 3.8895264301986003

Zr -0.2282078467609121 1.5561119599714899 -0.4246794295151516

Zr -0.2594203378876922 1.3829492378605592 2.7837076223480040

Zr -2.3589402011473077 3.6686851107133562 -0.2121087405755019

Zr 0.0678981534653905 -1.6069729864198465 -4.8970372741766255
Zr 4.7878625131081352 -0.4975437345863001 -2.8454778451001630

Zr 2.6984962025638004 -2.4597172107114447 -3.4452592348600319

Zr -0.1896194187318964 -0.9589760507951568 -2.0161081779951928

Zr 5.4845836100143091 -0.1588185071219486 -0.0701513107454161

Zr 2.4213603574653155 -1.7373518111109392 -0.3141601931998252

Zr -0.0185341974206234 -1.2955873134771267 1.6360066046481734

Zr 2.6188927246315337 -1.6773175077699833 3.1760886069604908
Zr -5.1546898421117104 0.4245104343230123 3.0990515030962342

227
Zr 2.9844956593974223 3.1807918906988717 -3.4750886089142909

Zr 0.5049199881101718 4.1354133931140078 -1.8292096331871903

Zr -3.0133382231505572 2.1593291874406346 4.2764163904614634

Zr 2.9929731413994012 3.8619015639335585 -0.4167237704216404

Zr 0.4152405742867392 4.1691401253502400 1.2720078505761876
Zr -0.7986356623555675 0.8454365359952063 5.7437234935292736

Zr -2.6517666545892404 -4.6204551639618634 -1.6606453033954267

Zr 4.8170840003999418 -3.0320922503325805 -1.1584955010047793

Zr 4.7442891001534493 0.4899124193614894 3.0123201833117719

Zr -1.9365003735219115 -3.4253443190483908 2.9210815109513533

Zr 4.9446695613943605 -2.2212256416158156 1.6789804250555562

Zr 2.0150575332167739 0.9125729642181724 4.7002217853130901
Zr 5.1165191457416457 2.2028359624984133 -1.6009132439554605

Zr -4.7781682959429501 2.9566264228579526 1.8273688131667427

Zr -2.9059782027424341 0.8247067231852312 -1.9582379032171957

Zr -3.3150066345729976 -4.7025796635659125 0.9366791792991195

Zr -2.1392139012538416 4.1298032421590998 2.5936977044230503

Zr -2.7483472107049658 0.9253773957708105 1.3569465941280896

Zr -5.2816125860937602 0.0510979349646318 0.0977313259290327
Zr 0.0142484576085427 3.3864439968546818 4.5963684485599288

Zr 2.2940802501264819 -4.5569239056195405 -1.4907165422637831

Zr -0.1386291722934938 -3.7801463557231458 -2.8407206481637104

Zr 2.7258426326800111 3.1127128679516587 2.9374737454267574

Zr 2.9026368404270477 -4.1891341503908697 1.2464630965528158

Zr -0.2025546779002833 -4.1607097291389854 0.3111212646930995

Zr 5.0695527820061246 2.6109846909499921 1.2227590188934983
Zr 2.5196876080244386 0.2357374721274978 -4.6768826613088663

228
 Pt6 Zr49 configuration: ∆E tot = 3.04 eV
Pt -1.1740170160829380 -1.4110038106317027 2.3626544366841817

Pt 2.9842569157792052 -3.3898638517049924 2.4464226395353399

Pt 0.2521263253992074 2.8738629859455025 -0.2917443128218334
Pt -2.8819585525684590 3.4643791280495955 3.9716144516232821

Pt -2.0580602701620125 2.1204590858742542 1.3105924855104267

Pt 0.6409017792145091 0.9167293184128291 -5.9267525131890570

Zr 2.6896252079514409 -3.7129400713426342 -3.3140647080969070

Zr 3.9627904107077181 1.4742515970467687 2.3612268203716558

Zr -4.6769704537978827 1.6889388219169157 2.4227722121515831

Zr -1.9241275912382421 -2.2360574329156768 4.9005751277799172
Zr 3.0936070141739758 -0.7050214608209919 -4.1900340551730428

Zr 4.4361761300298141 -1.3382042704451940 1.2214524504382784

Zr 0.2864882698529427 -0.3636857086477696 4.8500628068496221

Zr -0.3173261653628388 2.6866949934019524 4.5732330877190188

Zr -1.7763004944772647 -1.6536703544863278 -3.1230413372626908

Zr 2.0476633591254010 3.8092464157595693 -2.4806018889540833

Zr -0.9466848931109653 4.4661135195534696 2.2711743680657697
Zr 0.0237453790303347 3.4468771995220870 -4.7657959227541928

Zr -1.6436635728375777 -5.8868862717083532 0.3522168592616003

Zr -4.1609563667498248 -2.3730445042842709 -1.5684143910397093

Zr 2.9496306225197952 -0.9115098547410887 3.8476758196142646

Zr -4.1812043287413969 2.3254397443530004 -0.4393467282525872

Zr -1.3751081557381426 -2.8552089517282773 0.0720187299634180

Zr 0.8201083831598239 0.9744672613907803 -2.9681641971096719
Zr -0.2067224124810523 -4.1030214710752277 -3.8879774389531003

229
Zr 4.0806268027885650 1.6357716733194345 -2.5950860070108202

Zr -3.9579689258848236 -4.1128049004453731 0.6702986693309189

Zr 2.2859006582702261 1.7325741881004526 4.6941922105006606

Zr 2.0550899058273369 3.8170579652418817 2.6295969161942598

Zr -2.0923479987038252 4.6268307482000166 -0.3579640709251063
Zr -3.9004432415161534 -2.2094518310171813 2.9701959552268113

Zr 0.9878676142619651 -1.9767818374505643 -1.8769404645715322

Zr 0.6861321757666488 -5.1713494049598028 -1.3966230622589815

Zr -1.7857015078957474 2.8086500735282223 -2.4920100380874142

Zr -3.7373291655266700 0.3595283055544294 -2.3591757013866181

Zr -1.6910680905500712 0.8584850686157304 -4.7180829716510848

Zr 1.2723398993553487 -1.5479642957698636 1.3159183072790461
Zr -2.4453069491273243 0.5827106190918223 3.7296802554178021

Zr -2.3959776268552093 -4.6327267622115658 -2.0618494840123840

Zr -4.0490880701832550 4.3198339868496403 1.7623304036412129

Zr -1.8387356717449379 -4.4058899422440065 2.8580175006795776

Zr 0.5118688205205799 1.2539441973094747 2.1698784752129545

Zr 3.1218697607227921 -3.8555440885368077 -0.2982647860142148

Zr 5.3041498873654875 0.9894795594745553 -0.1569308571378652
Zr 0.6536700510999267 -3.1903815337938588 3.9645229067664878

Zr 2.2740329792655909 0.8363818693324085 -0.3706900747227447

Zr -0.2950155332293989 5.2842736023107575 -2.4912946992800467

Zr 1.0683771948407565 5.3166539086872247 0.1304439484982826

Zr 0.8212605029250895 -4.9526715337085436 1.5341754949693613

Zr 4.1803581137370927 -1.4469128889912688 -1.6662392269348056

Zr -3.7074822263251224 -0.5909448553790546 0.7393694065624462
Zr 2.6838748970304676 2.2332494762245099 -5.0380803207830231

230
Zr 0.5774287652906664 -1.6205503480957666 -4.9195224648330500

Zr -1.1027757842280821 0.3201287214627749 -0.5018088272664155

Zr 3.5703732391065084 3.4310782026061113 0.1241878046348010

Pt6 Zr49 configuration: ∆E tot = 3.64 eV

Pt -1.1740170160829380 -1.4110038106317027 2.3626544366841817

Pt 2.9842569157792052 -3.3898638517049924 2.4464226395353399

Pt 0.2521263253992074 2.8738629859455025 -0.2917443128218334

Pt -2.8819585525684590 3.4643791280495955 3.9716144516232821

Pt -2.0580602701620125 2.1204590858742542 1.3105924855104267

Pt 0.6409017792145091 0.9167293184128291 -5.9267525131890570

Zr 2.6896252079514409 -3.7129400713426342 -3.3140647080969070
Zr 3.9627904107077181 1.4742515970467687 2.3612268203716558

Zr -4.6769704537978827 1.6889388219169157 2.4227722121515831

Zr -1.9241275912382421 -2.2360574329156768 4.9005751277799172

Zr 3.0936070141739758 -0.7050214608209919 -4.1900340551730428

Zr 4.4361761300298141 -1.3382042704451940 1.2214524504382784

Zr 0.2864882698529427 -0.3636857086477696 4.8500628068496221

Zr -0.3173261653628388 2.6866949934019524 4.5732330877190188
Zr -1.7763004944772647 -1.6536703544863278 -3.1230413372626908

Zr 2.0476633591254010 3.8092464157595693 -2.4806018889540833

Zr -0.9466848931109653 4.4661135195534696 2.2711743680657697

Zr 0.0237453790303347 3.4468771995220870 -4.7657959227541928

Zr -1.6436635728375777 -5.8868862717083532 0.3522168592616003

Zr -4.1609563667498248 -2.3730445042842709 -1.5684143910397093

Zr 2.9496306225197952 -0.9115098547410887 3.8476758196142646
Zr -4.1812043287413969 2.3254397443530004 -0.4393467282525872

231
Zr -1.3751081557381426 -2.8552089517282773 0.0720187299634180

Zr 0.8201083831598239 0.9744672613907803 -2.9681641971096719

Zr -0.2067224124810523 -4.1030214710752277 -3.8879774389531003

Zr 4.0806268027885650 1.6357716733194345 -2.5950860070108202

Zr -3.9579689258848236 -4.1128049004453731 0.6702986693309189
Zr 2.2859006582702261 1.7325741881004526 4.6941922105006606

Zr 2.0550899058273369 3.8170579652418817 2.6295969161942598

Zr -2.0923479987038252 4.6268307482000166 -0.3579640709251063

Zr -3.9004432415161534 -2.2094518310171813 2.9701959552268113

Zr 0.9878676142619651 -1.9767818374505643 -1.8769404645715322

Zr 0.6861321757666488 -5.1713494049598028 -1.3966230622589815

Zr -1.7857015078957474 2.8086500735282223 -2.4920100380874142
Zr -3.7373291655266700 0.3595283055544294 -2.3591757013866181

Zr -1.6910680905500712 0.8584850686157304 -4.7180829716510848

Zr 1.2723398993553487 -1.5479642957698636 1.3159183072790461

Zr -2.4453069491273243 0.5827106190918223 3.7296802554178021

Zr -2.3959776268552093 -4.6327267622115658 -2.0618494840123840

Zr -4.0490880701832550 4.3198339868496403 1.7623304036412129

Zr -1.8387356717449379 -4.4058899422440065 2.8580175006795776
Zr 0.5118688205205799 1.2539441973094747 2.1698784752129545

Zr 3.1218697607227921 -3.8555440885368077 -0.2982647860142148

Zr 5.3041498873654875 0.9894795594745553 -0.1569308571378652

Zr 0.6536700510999267 -3.1903815337938588 3.9645229067664878

Zr 2.2740329792655909 0.8363818693324085 -0.3706900747227447

Zr -0.2950155332293989 5.2842736023107575 -2.4912946992800467

Zr 1.0683771948407565 5.3166539086872247 0.1304439484982826
Zr 0.8212605029250895 -4.9526715337085436 1.5341754949693613

232
Zr 4.1803581137370927 -1.4469128889912688 -1.6662392269348056

Zr -3.7074822263251224 -0.5909448553790546 0.7393694065624462

Zr 2.6838748970304676 2.2332494762245099 -5.0380803207830231

Zr 0.5774287652906664 -1.6205503480957666 -4.9195224648330500

Zr -1.1027757842280821 0.3201287214627749 -0.5018088272664155
Zr 3.5703732391065084 3.4310782026061113 0.1241878046348010

Pt6 Zr49 configuration: ∆E tot = 4.93 eV

Pt -2.4323226626307153 -2.3390793993982704 -4.5465617969556771

Pt -0.9712955600402232 -5.4101072354664099 0.0329733198688788

Pt -3.1614344472218838 -3.6664333090762518 -2.1637925575720716

Pt -0.0787613817450868 -0.6981622966529930 -5.8268946316150387
Pt 2.5209932659576091 -2.9191054168221178 -3.1055285622364637

Pt -0.3153983458096740 -3.3660338844776567 -2.9091273794887003

Zr 1.3145926517886530 -4.7632652493197272 -1.4237015986047707

Zr -0.7155250574910973 -0.7225079220598449 -3.1147249907063270

Zr -2.2852519091714973 1.8397719973739182 -3.0225053089521681

Zr 0.0492917463976802 1.7491367296603240 -4.8722890175085123

Zr -2.5759267234876595 0.0256996247748471 -5.4192295353948108
Zr -5.0852750245452309 0.2650338149185696 1.9199221408443579

Zr 0.1583693339341131 -1.4016944373747269 1.6525641440843148

Zr 0.4912666540146894 1.7829659553805042 -1.7557711083111143

Zr 2.3927786224356375 0.4004106702500276 1.3039539411088501

Zr 0.8981687793698917 -4.2628692186692207 1.5372969231798581

Zr -3.6053080845259067 -0.9929733119131019 -2.4744015786885485

Zr -2.7824290158010192 -2.5656611894084000 5.1537918771141085
Zr -4.7766278866506493 -2.5589990874576762 3.0948373427245515

233
Zr 6.1946638039152733 0.7660227243637105 -1.1959206655785464

Zr 2.6075322036354103 3.5898224653401338 0.6271495513802480

Zr 4.9926553512328358 0.9764409813464450 -3.7441460205263071

Zr -2.2124705981409440 0.5931216697876944 -0.1379070522949973

Zr -4.2358316971410002 2.8325852466750114 1.3173071963439245
Zr 0.7320509635455416 4.8330548845653309 2.5425547250064482

Zr 5.0902740491224083 -0.9936812501467902 0.8859679579873273

Zr 3.2724021266852312 1.1129490493550971 -1.3550618772580718

Zr 4.8777753406698228 3.3659771442344089 -1.9045199361384333

Zr -0.1878000914711514 4.2641821886031011 -3.3643438953388682

Zr -0.2154804808620177 2.0218935151545332 1.8434869378899268

Zr -2.3704204180160580 -0.7029116594628821 2.7436216718098936
Zr 4.2725070617077652 0.2497964428015275 3.4729667676103504

Zr 3.3724990630087270 -3.3310773645615206 0.2615515624803721

Zr -3.9590385173043976 -1.9733310479019910 0.4347642002598666

Zr -1.5192364122055912 0.1544041754756191 5.5007185391522349

Zr -3.2137368194820417 2.1507483692616796 3.9172286513702006

Zr -1.3139281578855750 -2.7475937346189432 -0.5136913858063735

Zr -4.7708829903710832 1.4944085699657872 -1.1642830204561732
Zr 2.2180508642337124 -0.2762999557421726 -3.9926709473728352

Zr 5.0096162528445323 2.0269714356386284 1.1429525193189194

Zr -3.5634699005361106 -4.8677328430312743 0.0770608419331526

Zr 2.9435338421432200 -2.2345758853184754 2.8812908073643571

Zr -2.0420345030842006 -3.7210463461910428 2.4077560410414294

Zr -0.1225605692774728 -2.4158526950623247 4.3818417884191012

Zr 2.2059325802245078 4.6173862939499912 -1.9960900179737335
Zr -0.1081075075090233 4.3672174487987716 -0.2712614404160035

234
Zr -2.7391316594819748 3.7057044284166403 -0.8205942747548874

Zr 1.2546466043944613 0.1943192438200636 4.1192668981439828

Zr -2.0265224084901567 4.4127622993407130 2.2696556913520225

Zr 2.7293192739138115 2.7888653406958945 -4.0718894243108590

Zr -0.4219458831437827 2.9904491588888953 4.5935909560460777
Zr 4.6326332998546693 -1.5813413272708889 -2.1617692805004709

Zr 1.5132704273405673 -1.5505435520677910 -1.0975957661432629

Zr 2.4634870192333076 2.7241911529438734 3.4320684143104558

Zr -4.4001564680808567 -0.2334134023092365 4.8781316627588103

Pt6 Zr49 configuration: ∆E tot = 5.96 eV

Pt 1.5923999337080650 0.2270500363383817 0.6837767987869812
Pt -2.5708113115852633 0.6642090117848726 -1.0341816071536540

Pt 4.1258123743219235 -2.4029679114199651 -0.6835795272690588

Pt 0.2892305140255723 1.8750461386386077 -1.3368656630750719

Pt 5.4516503388762736 -1.1913588383888951 1.9610439288170924

Pt 5.5326057068992291 0.6188585285867830 -1.1715162195975053

Zr 0.6641072381353856 4.3238390591044560 2.5750901628021428

Zr -0.3706544328730423 -1.1829905681095043 -6.0751394105194674
Zr -1.9454481748799743 -2.4656136251822871 4.9574759106680393

Zr 0.0705601140917871 -0.6760052019986219 3.1826033770731685

Zr -0.5768539327685325 1.8772820960530920 1.2315556326369588

Zr -0.9165407477431735 -1.2088863156056264 0.0982102565752043

Zr 1.6917955665107876 -1.5980501813668171 -1.4681836346000650

Zr -2.5729030408348912 -2.3385046555415996 -4.8255982489091149

Zr 2.6834261386673539 -4.5240518156883116 -1.2127328144903926
Zr -0.4491908816679632 -4.1362383742795590 -0.6445952425756458

235
Zr -0.9299079896511024 0.1234854981430645 -3.2572922088304619

Zr -3.1339768978255087 2.3845426899195661 -3.9301914208405844

Zr -0.5594268368860220 1.8589195869216850 -5.7097874979247774

Zr -2.8866683436331222 0.2727961482201649 -5.7778019781647583

Zr -5.4364114575521434 0.1672008701133463 2.6781987619321388
Zr 1.5233775935946561 -3.3314888111021204 1.2380294949527284

Zr -4.2749306016420441 -0.3438422801340139 -3.3280201606786601

Zr -4.2774714884071194 -2.6241891742848096 2.8998555608408640

Zr 2.4674001705859006 3.2360629680046160 0.5444292357267828

Zr 4.6522197724124243 -1.1678438086890297 -2.9928224996148298

Zr -4.1584315266487728 2.1410445737715933 1.1709977635081132

Zr -2.6553388897330628 -2.4514476424320590 -2.0448443079651053
Zr 2.8816051661714814 1.0670751781070307 -1.7176805096957095

Zr 4.9021304831034023 3.1280784163414084 -1.3932299218783568

Zr -0.5346322693425840 3.5858391148058320 -3.2950670982055623

Zr -2.5120173309198925 -0.3371652510926865 2.6353757504343109

Zr 4.7930130742546471 0.1913408314300214 4.1573305800790097

Zr 4.4560522018180642 -3.6597095396044081 1.5728936187115197

Zr -4.4356808485705450 -0.9690611900388589 0.0560244949672197
Zr -1.6606519884710487 0.2239786205882511 5.7160373037300918

Zr -3.5672604823036558 2.0759290031857165 4.1645461912533381

Zr 3.0101250026374338 -3.2562707961549093 -3.7119364575975862

Zr -4.9886466848859108 1.8018282746634340 -1.6189279756179771

Zr 1.9033464105420954 -0.5711632104847567 -4.3457709292729998

Zr 4.4241828184334526 1.1668516617981608 1.1568425497328449

Zr -3.0752684960306773 -3.5738710086565546 0.4423070751128522
Zr 2.8779526153591029 -1.1799352081805397 2.5514656150831359

236
Zr -1.2388612241453565 -3.6588739907651173 2.5435180245577742

Zr 1.2133461417276967 -3.1155817320636614 4.2660237879014620

Zr 2.1326347698916912 4.0938148723897809 -2.1266950680754473

Zr -0.0885594214811966 4.6495159807050825 -0.1780286439761893

Zr -2.5585141177967365 3.4010711307070225 -0.9633573115547291
Zr 1.7277028149616704 -0.2233788041229318 5.3060653798400992

Zr -2.1683255451516779 4.1293457509851930 2.1780555660395651

Zr 1.9217763127135150 2.3174420054904901 -4.2662432444956959

Zr -0.5168955196207357 2.3000236382020618 4.2923695406071705

Zr 0.0120488315192766 -2.8767842456720571 -3.5190143648006948

Zr 2.3274465184979896 1.7982437859269693 3.2474758270420683

Zr -4.2676681404091177 -0.6354412898669907 5.1215057779674495

Pt6 Zr49 configuration: ∆E tot = 6.76 eV

Pt -1.2494814484374481 -0.4471574572130677 -3.3794520080030024

Pt 0.2546733827402384 -1.3026596141546221 2.5415856315935885

Pt 0.2448306368340288 1.5960618210361148 -2.5594701498059207

Pt 0.4211668838459606 1.3527852940133429 1.6346032588320412

Pt -2.0950961595024729 0.1991509731819704 2.3817060158153227
Pt -1.5969597110461089 -1.9782439650502552 0.6138989965684203

Zr -2.7475994586639536 -2.4493870170114334 -4.9001252150369536

Zr 2.3318573942458465 -3.9895171766227846 -1.0176936246224415

Zr -0.5544444652193740 -4.3311108178057385 -0.4982181093304831

Zr -2.7149888299454665 2.2497102569372900 -3.2456357608936086

Zr -0.4931659113782396 1.6494062151627831 -5.3179507580966883

Zr -2.9799303680696290 0.3024580407594483 -5.6096990775838576
Zr -4.7598117095425252 0.6275823658208836 1.8546609299427785

237
Zr 2.6518494865534330 -0.4113601994088341 1.4390552421726255

Zr 1.2707261377235615 -3.6675606267248937 1.7581876592391807

Zr -4.1143239206145932 -0.3687786234013558 -3.0560851202353687

Zr -2.6911592068439041 -2.9786351532929571 5.2201371576102220

Zr -3.6949610843918186 -2.2034816425605341 2.6055260021562363
Zr 5.8131140686455769 0.5734452243867579 -0.8824377114967803

Zr 2.7092246991580304 3.6931321369217884 0.6805285115371420

Zr 4.4420432887290575 0.2490609154714733 -3.3890471373414952

Zr -1.9324181051593408 0.4625374708604525 -0.7070613565459809

Zr -4.9515163910785915 3.4963754112591077 1.4285524931905200

Zr -2.4475059624324991 -2.5668301994256395 -2.0017167015679460

Zr 0.3389634708007086 4.3885604463842309 2.2723399542397802
Zr -0.5417580780061805 -1.2204404418028090 -6.1504756177614039

Zr 5.5729126234548989 -0.9952623739909129 1.5835629622970913

Zr 2.6345191952967233 1.1203259545373343 -1.2058261436614004

Zr 4.6734996443658519 3.0083990827241549 -1.8883434422958800

Zr -0.2457857974124502 4.0082470512075883 -3.5068657146262607

Zr 4.3853271861385128 0.3715679144080881 3.8483565123187278

Zr 4.0505926158459191 -3.4133404839755186 1.2214872513557082
Zr -4.4800083578950805 -1.3538812830248772 -0.2167053273962011

Zr -1.4256441048187847 -0.4226483287268522 4.9309112782866551

Zr -3.4152508008071982 2.1008948776403558 4.0715708808919517

Zr 2.8589908669609394 -2.4200116617421528 -3.3483887054372898

Zr -4.7621290328671577 1.7271970856577199 -0.9885377662919297

Zr 1.5330207984828823 -0.2212454111766689 -4.2398898086887611

Zr 4.9000579721999902 1.9737428619265942 1.4206971850180110
Zr -3.3693886345618558 -4.0844225953995466 0.4217414411842782

238
Zr 3.3572758341241005 -2.2813835230579840 3.7009683663363235

Zr -1.4367864603310616 -4.0689858173203834 2.7054202084422601

Zr 0.3282714972201622 -2.8096190778540104 4.6973171566393122

Zr 2.0711941291253928 4.3201106446166886 -1.9460437242263453

Zr -0.0908924615060848 3.0734798238139391 -0.3782384011627215
Zr -2.9877215935523487 4.0023463074648316 -0.8918115296685898

Zr 1.5586123673448944 0.0568991696480183 4.5892106713549738

Zr -2.2121479318256525 2.8580642799310980 1.5944356834057742

Zr 2.6042819785155351 2.5369941257223858 -4.0872993088946172

Zr -0.4021677886902901 2.3130974184644928 4.1270074361437965

Zr 0.0003608129690112 -2.9789186337847737 -3.5889511307679554

Zr 4.5070458197370202 -1.9132367049146111 -1.1605957574536234
Zr 0.7020507635602987 -1.3692573184546446 -1.1077028867432006

Zr 2.4828315786792268 2.4537314391912290 3.2240981331964322

Zr -4.3062513586976916 -0.5179884612523026 4.7027009758675691

Pt6 Zr49 configuration: ∆E tot = 7.37 eV

Pt 0.0000000000000067 5.0829066283792548 0.0000000000000068

Pt 0.0000000000000067 -5.0829066283792423 0.0000000000000068
Pt -5.0829066283792415 0.0000000000000066 0.0000000000000068

Pt 5.0829066283792557 0.0000000000000066 0.0000000000000068

Pt 0.0000000000000067 0.0000000000000066 -5.0829066283792415

Pt 0.0000000000000067 0.0000000000000066 5.0829066283792557

Zr 0.0000000000000067 0.0000000000000066 0.0000000000000068

Zr 0.0000000000000067 1.4432927331103582 2.6289815746172347

Zr 0.0000000000000067 1.4432927331103582 -2.6289815746172214
Zr 0.0000000000000067 -1.4432927331103476 2.6289815746172347

239
Zr 0.0000000000000067 -1.4432927331103476 -2.6289815746172214

Zr 1.4432927331103582 2.6289815746172347 0.0000000000000068

Zr -1.4432927331103476 2.6289815746172347 0.0000000000000068

Zr 1.4432927331103582 -2.6289815746172214 0.0000000000000068

Zr -1.4432927331103476 -2.6289815746172214 0.0000000000000068
Zr 2.6289815746172347 0.0000000000000066 1.4432927331103584

Zr 2.6289815746172347 0.0000000000000066 -1.4432927331103473

Zr -2.6289815746172214 0.0000000000000066 1.4432927331103584

Zr -2.6289815746172214 0.0000000000000066 -1.4432927331103473

Zr -5.0902026347819671 0.0000000000000066 -2.7121375060993320

Zr 0.0000000000000067 2.7121375060993453 5.0902026347818055

Zr 0.0000000000000067 2.7121375060993453 -5.0902026347819671
Zr 0.0000000000000067 -2.7121375060993320 5.0902026347818055

Zr 0.0000000000000067 -2.7121375060993320 -5.0902026347819671

Zr 2.7121375060993453 5.0902026347818099 0.0000000000000068

Zr -2.7121375060993320 5.0902026347818099 0.0000000000000068

Zr 2.7121375060993453 -5.0902026347819680 0.0000000000000068

Zr -2.7121375060993320 -5.0902026347819680 0.0000000000000068

Zr 5.0902026347818055 0.0000000000000066 2.7121375060993453
Zr 5.0902026347818055 0.0000000000000066 -2.7121375060993320

Zr -5.0902026347819671 0.0000000000000066 2.7121375060993453

Zr 1.5216709449874837 -4.0519864007964026 2.7099454702602697

Zr -1.5216709449874704 -4.0519864007964026 2.7099454702602697

Zr 1.5216709449874837 -4.0519864007964026 -2.7099454702602590

Zr -1.5216709449874704 -4.0519864007964026 -2.7099454702602590

Zr 4.0519864007964159 -2.7099454702602590 -1.5216709449874701
Zr 4.0519864007964159 -2.7099454702602590 1.5216709449874839

240
Zr -4.0519864007964017 -2.7099454702602590 -1.5216709449874701

Zr -4.0519864007964017 -2.7099454702602590 1.5216709449874839

Zr 1.5216709449874837 4.0519864007964150 -2.7099454702602590

Zr 1.5216709449874837 4.0519864007964150 2.7099454702602697

Zr -1.5216709449874704 4.0519864007964150 -2.7099454702602590
Zr -1.5216709449874704 4.0519864007964150 2.7099454702602697

Zr -2.7099454702602590 1.5216709449874837 -4.0519864007964017

Zr 2.7099454702602697 1.5216709449874837 -4.0519864007964017

Zr -2.7099454702602590 -1.5216709449874704 -4.0519864007964017

Zr 2.7099454702602697 -1.5216709449874704 -4.0519864007964017

Zr -4.0519864007964017 2.7099454702602697 1.5216709449874839

Zr -4.0519864007964017 2.7099454702602697 -1.5216709449874701
Zr -2.7099454702602590 -1.5216709449874704 4.0519864007964159

Zr 2.7099454702602697 -1.5216709449874704 4.0519864007964159

Zr 2.7099454702602697 1.5216709449874837 4.0519864007964159

Zr -2.7099454702602590 1.5216709449874837 4.0519864007964159

Zr 4.0519864007964159 2.7099454702602697 -1.5216709449874701

Zr 4.0519864007964159 2.7099454702602697 1.5216709449874839

Pt13 Zr42 configuration: ∆E tot = 0.00 eV

Pt 0.0463830586512701 0.1306290219874074 0.0038499580362017

Pt -2.7691588717932847 3.2729537538622457 0.6870850750806548

Pt 3.1522782234779321 -2.0804621319812755 1.8713082836868531

Pt 3.1644248638006980 0.1041238032954218 -3.0091368530565119

Pt -1.6749819406512865 2.6693571189014316 -3.3674191217088096

Pt -2.4688161441577714 0.1667045558711884 -2.0818337515999192
Pt 1.8506848061132777 3.1434040299059909 1.2389201963180443

241
Pt 0.1663749545050335 -2.5111664826206122 4.8573806241974795

Pt 0.3581434892728738 -2.8710939648922382 -3.0391578747578882

Pt -0.4470150863645559 4.7179708924110146 1.1119478378021719

Pt -2.4267696271931039 -0.1403642351189686 3.4031387353127518

Pt 4.2417011341545745 -2.3866611693498205 -2.2405609131373043
Pt -1.2324083305741249 -4.5953170410784088 0.6277787054221347

Zr -0.5294876649062461 2.0287288894522293 2.5987399924158594

Zr -0.4453166899011630 2.5370067893100350 -0.9813522953743852

Zr -0.1876172403752543 -1.7131996368960491 2.2834874905199620

Zr 0.1851266624175638 0.1035388798324526 -3.1272123103920388

Zr -0.0442995030574816 3.2098554816103473 5.3126263561945519

Zr 2.0686768714343797 -1.5577316675409341 -0.9475018508873414
Zr -1.0724860193702588 -2.2157092064755259 -0.8077142277932903

Zr -2.5946715427737521 0.2681215562265420 0.6978961237155379

Zr -0.2908522042125883 1.9281897048456562 -5.6132966231988872

Zr 1.3124611917293993 4.8572152209341928 -0.9160037368374456

Zr -1.9131065886961727 5.2129321812645957 -1.0712012147699563

Zr 2.4359222403348317 -4.3884200778243256 -2.0137854623624327

Zr -2.8251879438712661 -4.3717798014678495 -1.9013090475866714
Zr 4.6642509093120124 -0.0526422975942581 3.1270300968518936

Zr 4.6065927736939125 -0.2078033257693752 0.0533409305157844

Zr -4.8034353790132558 -0.7464571953735292 2.4711042139538084

Zr 2.3656121886015464 -2.0889146118875273 -4.4220524178320995

Zr 2.0547379607334273 0.3739087108199107 1.7391430354471837

Zr -0.2524017367813186 -1.1881660788827295 -5.7512869416028218

Zr 0.0188574684948586 0.2257903374609614 5.0563450427400065
Zr 1.4479918767161326 -4.0269279257164383 0.7994463021306344

242
Zr -0.8168465819858488 -4.5366352862054518 3.1930816761361567

Zr -0.2098338054619822 -5.5648384259413097 -1.5602636536258134

Zr -1.0360403342138236 -4.6090310360349802 -4.2802460770369555

Zr 4.4703983263147693 -3.4379966895595642 0.1709608292312521

Zr -4.0966664006001716 -1.6798624009653293 -1.2020073824495277
Zr -3.0319105326970979 -2.7853542792488435 1.5622973742351651

Zr 1.6124058823798526 2.9555363974836331 -3.5055165701924742

Zr 1.1492419912220706 4.7139314776025207 3.2182402355236630

Zr -0.3931809737247436 4.9201290060560519 -3.4153789560671277

Zr -2.0413615978525685 4.3995873948939392 3.3712274162445905

Zr -2.5809861952598547 0.4456886156639382 -4.7636241997364897

Zr 2.2055499621814620 0.6079447874453426 -5.4510992713227333
Zr -2.6091749933305595 -2.2642199247936903 -3.8952065999501015

Zr -4.1103932176282649 2.2461441031472678 2.6371822825734470

Zr -3.6784850828825748 2.4579458014284041 -1.5932331788431191

Zr -2.4399926805074026 -2.4570633109603497 4.5142192376157082

Zr 2.5324238003752466 -1.2094515321738717 4.4503917026141524

Zr 2.5286423436686052 1.9944886664538037 4.2298829971101837

Zr -2.5321641075625410 1.9046855833889902 5.0723819298877464
Zr 2.5933101077838545 1.6942593250159055 -1.0369944740949673

Zr 4.3228559300307348 2.3964976497818329 1.6339603247035392

Pt13 Zr42 configuration: ∆E tot = 0.70 eV

Pt -4.7860631122810213 1.3429155156999597 -4.1599769106868614

Pt 0.2902370725345015 2.5157977270531262 4.7262376506591188

Pt 0.2156141849132275 3.1406375380923093 -4.5040944203433462
Pt 0.2086513185124438 -2.9211491145688058 4.5859330446464730

243
Pt 0.9242207655612252 -2.6700931169717421 -5.2297539762647141

Pt 2.5954116438605102 4.2884045787422762 0.1296039681903305

Pt -2.8256343461663045 4.6876532151354411 -0.3130650525385010

Pt 3.2227171814616673 -4.4948744082042538 0.3028693312556849

Pt -1.8389995824311078 -6.1445324861799406 0.6221700583415566
Pt 4.5940053501040898 0.1486736848796398 2.7760574165517862

Pt 4.5433808325561023 -0.0767373419404577 -2.5629453245488878

Pt -4.8587785835073527 1.5804892829238781 3.7670087890680786

Pt -3.7062936865470073 -1.4709081766463044 0.0277467959486368

Zr -1.0999998980828074 -0.5678290678999075 -0.2464671866075139

Zr -0.5302434913518476 1.1360840050442391 2.4915774844906662

Zr -0.6449169807544529 1.1706844940444796 -2.7811223179481419
Zr -0.4576963209380772 -1.8623742246248582 2.2603767434809368

Zr -0.4322511660887123 -1.9927709122169119 -3.0506013345875078

Zr 0.8751082061328140 2.1314926334676159 -0.1406382819180396

Zr -2.1395756416668172 2.1506825758293955 -0.1783610889885483

Zr 1.0420772477403182 -2.8858405004991994 -0.2728719475793571

Zr -2.0095734112021200 -3.6227182127529716 -0.1298054707701328

Zr 2.0923026612374915 -0.0631347074236998 1.3021440089832379
Zr 1.8889206891260308 -0.3642701303546971 -1.7642431474107627

Zr -3.3360240506584313 0.0917326196211264 2.2018965951814846

Zr -3.4690333022965882 -0.0458145888325986 -2.3202913612748932

Zr -0.1608515222737530 4.9579364535361208 -0.0400671824765584

Zr 0.6968944042402888 -5.7411204871478105 0.2521537283860122

Zr -4.9922333905483010 1.0059644882395871 -0.0759022597403134

Zr 5.1042153768178569 -0.0102567769186805 0.1216247905182865
Zr 0.5172216282261736 0.0742193117601744 -5.3096699386736752

244
Zr 0.2001473174633254 -0.1148046504850128 5.2884857846614075

Zr 1.8360858385908962 -4.2933129973274902 2.6778590450495510

Zr -1.1240673321214778 -4.7051372562675908 2.7418059359634310

Zr 2.0745365265144988 -3.8942382381014511 -2.8959297665445649

Zr -0.4730381681400438 -4.8130408242089686 -2.1717474237550038
Zr 4.1733449200506616 -2.5144351744141034 -1.3330047094281201

Zr 4.1318415700198221 -2.4218241122870552 1.6945112141323118

Zr -3.4263851506778673 -2.9120479435644313 2.3289866164018247

Zr 1.4778482744090760 4.1682422562997514 -2.4267307085611480

Zr 1.5485563061473393 3.7163048228203763 2.5905141090558952

Zr -1.5648578380924156 4.3932816130722756 -2.7576493348694373

Zr -1.3601779147615154 4.1686317836093592 2.4865726594896880
Zr -2.4597735381637102 2.3349595930835960 -4.7900303399251349

Zr 2.5143678528862443 1.7324020605182966 -4.0105822628067465

Zr -2.2676913016852831 -0.4533334945419085 -4.8923053441481095

Zr 3.0071324201110574 -1.4053293623078673 -4.3008206451526227

Zr -4.0133468269450754 3.1658147722003802 1.8504400692699998

Zr -4.2055493638267416 3.0130460774861687 -2.1625560397785182

Zr -2.2239143382116930 -1.2799306368187047 4.5226709142045713
Zr 2.4994108937426436 -1.5985631885967280 4.0105652144372250

Zr 2.6621356862668000 1.4078968707811157 4.1722157612163562

Zr -2.4176472624614229 2.0812685779075935 4.5167876321751725

Zr 3.7848112822772810 2.2275065792767634 -1.2988130316981130

Zr 4.1034200703775587 2.5076990009791018 1.6712314472655332

Pt13 Zr42 configuration: ∆E tot = 1.63 eV

Pt -4.5320707270392351 0.4076694032285666 -3.7871020409099883

245
Pt -0.1162908921515906 2.8515689661142027 4.3287366357113202

Pt 0.6669235096037540 3.3833183692170814 -4.3314348000612339

Pt -0.5716616197414566 -2.1066904347956616 6.0156617537758139

Pt -0.3514708057289169 -3.2640933273468087 -4.6096193828528866

Pt 2.9681000713434345 4.4085714948158161 0.2175657183904010
Pt -3.2005235139853823 4.0725389419722564 -0.1286253638978705

Pt 3.8593898079417444 -4.3778345662040534 -1.6060671799801325

Pt -2.7460853318669307 -4.8851523572499174 2.1462506705935285

Pt 4.4347300435035288 0.1245469808023920 2.9342777673339784

Pt 5.0264548057642822 0.4851662925131015 -2.5042902661740554

Pt -4.6526934339949495 0.0437244037722782 3.1212920831979973

Pt -4.1221077123691376 -2.3063060888608171 -0.0857634529959368
Zr 0.0102143054651890 -0.6070391892064844 0.0048058694993047

Zr 0.0685882524082388 1.6426696460737864 1.9058868578182997

Zr 0.1471493293436281 1.0597598922775540 -3.0607102214951309

Zr -0.5950187240393290 -1.0736631028677788 2.9043337198389709

Zr -0.3447070565731508 -1.8718487510598674 -2.3262954296418483

Zr 1.7758342020621938 1.9214009909528633 -0.5813265931914229

Zr -1.5937255697517059 2.0329995436210901 -0.6256889399007859
Zr 1.4793106585759745 -3.4315831796662857 -0.6244588130191486

Zr -1.5567624048921345 -3.2240580675251587 0.4170082525672543

Zr 2.3282636522073461 -0.5798962820647897 1.5883979692254631

Zr 2.6285652468033702 -0.6986813366428872 -1.7073356581898933

Zr -2.7028795676785022 0.0120656103375743 1.3227918798548872

Zr -3.0977865368529875 -0.4925495076497508 -1.8035930738860229

Zr 0.1507407411380144 4.4935397117939138 0.1350614361151630
Zr -0.5609402833904311 -4.7576056799854838 -2.3649989653703214

246
Zr -5.5368988576642497 -0.1333341389504265 0.3680240114613840

Zr 5.1004652836451836 0.1117882347947463 0.1576064865430427

Zr 0.8265558045057531 -0.9122715111256479 -5.2809154418130815

Zr -0.2719781759192244 0.4632765607297575 5.7053088165524146

Zr 1.1683536127580454 -3.4069172201640137 2.1896010514080873
Zr -1.2426736766161013 -3.6932963366375540 3.9450591662895222

Zr 2.2507090211199228 -3.3414672540132480 -3.5805454149121969

Zr -3.0142838466679733 -3.3029550775514687 -2.5171177048450799

Zr 5.1050702709285414 -2.2069761366556073 -2.4427987985883446

Zr 4.1098136584009319 -2.6608338494839310 0.4561921956720285

Zr -3.9219974742240935 -2.5995497856548533 2.5948099766844139

Zr 2.1225191871259939 4.4824337384756676 -2.3602442782835196
Zr 1.5602825566751393 4.1860208431629093 2.7260554716148677

Zr -1.0155853474550383 4.1062676404262666 -2.4601729013225535

Zr -1.8351159461984650 3.9984897084159479 2.2021408135465750

Zr -2.4685090282215412 1.9235104881989307 -3.8813213451514939

Zr 2.9519170419865817 1.9000092524575527 -3.6742825047427941

Zr -2.0934125695849217 -1.0246353059645184 -4.6554886871622356

Zr 3.5403784892159336 -0.9610299055488507 -4.6104552918643575
Zr -4.5409236061624316 2.4490482480076134 1.5650190583739318

Zr -4.5773777118131367 2.0981141057409896 -1.4805338484566191

Zr -2.8842977060230566 -1.1871972317688868 4.9687512533637888

Zr 1.7004840296166379 -1.7418431366819458 4.5793796897794978

Zr 2.2092972919748575 1.2724599972356734 4.1506496969254814

Zr -2.5005972544670896 1.6170339601462749 4.0017023290712901

Zr 4.6186353265641795 2.8618990020439150 -1.3158936016469083
Zr 3.8396291803947604 2.4394167339979753 1.7547093691471760

247
 Pt13 Zr42 configuration: ∆E tot = 2.64 eV
Pt -2.0847526088499166 -0.5981995267509581 2.3786498348048686

Pt 1.4818986398772256 -0.1409766372182193 4.5226969215986088

Pt 1.3132751811900047 -2.7865092265086520 1.6125743712650189
Pt 0.6488778623645445 5.0238657558977762 2.1750892329307727

Pt -0.2722466889902705 -1.1136106115785132 -5.0810194370766464

Pt 5.0537278444522133 2.7999127856005583 -0.2306970162152065

Pt -1.6863082847726880 2.4219751443669186 -2.3932121663745627

Pt -3.8996753941051439 -3.9193292988440596 0.5385895681789019

Pt 4.6612438039880235 -2.5599380162772500 -1.1632424306620595

Pt 2.9120191669036699 0.9811480271426087 0.4424948106102648
Pt 0.6742403998528582 2.4806142770595785 1.1486257062493894

Pt -0.6593050266443313 -1.5517015658116313 -0.2354973372481022

Pt 0.6641346380837115 1.0698347544904103 -1.3397723383934681

Zr -4.4530326729810294 -1.2909341802701859 -3.1489815352962123

Zr 2.1305949160181377 -1.2867077563130240 -0.9266189872799286

Zr -4.8905077708178037 0.4035540510725447 1.8830340804830203

Zr 4.2077410748163881 -1.1862286143167320 -3.4090246986895871
Zr -1.7156732664759944 -0.3282363569391430 -2.5675015405634398

Zr -3.7096010268368027 1.7288670548631928 -3.9757050572164574

Zr 0.6951011426036692 -0.1784532734002435 1.8910257554297114

Zr -1.8877091436042464 1.4853508068028405 0.4064823372372463

Zr -2.3155087046231331 -2.8729097071068010 -4.5724896107373034

Zr 2.8595709603113417 -3.9849649229711459 -2.5552359533701634

Zr 0.5724927245443624 -4.2134379293754582 -0.5809360204318337
Zr -1.0283952636052089 1.5260515012200710 -5.2881291487906399

248
Zr -3.0243068409041318 -0.4959794631229370 -5.5823806448611446

Zr -2.5431407265963917 -2.6930138071626604 4.6067515586358994

Zr -4.5407083268442445 -2.4151488460242958 2.6621561160247196

Zr 5.3351701304291517 -0.0328935475258194 -0.5801221419061504

Zr 3.0418824945953289 3.8583412793864258 1.3327508952964127
Zr -4.5193415107322643 3.0917349002271135 1.1752602028779682

Zr -2.4571603683028784 -3.4010652589947905 -1.7306434880212065

Zr 4.1804607004111078 -1.2701375269482535 1.7738025966782291

Zr 3.8527828983041998 1.4861101989496857 -2.4107840158995324

Zr 4.2196535505003601 -0.1569721659440826 4.5353697774317059

Zr 3.4011157299859742 -3.9719767295859838 0.6207596916912024

Zr -3.6012138679313144 -1.2563340248935595 -0.1362763459909860
Zr -1.2336897473579040 0.0522637412118870 4.8743127558765149

Zr -3.1033430033899330 2.1473555277565528 3.4979458840782320

Zr 2.0948037510448185 -2.4117631957125378 -5.0654815552193977

Zr -4.4537996726772278 1.2706209053219202 -1.2662939901205468

Zr 1.5390982735449641 0.2776235375713215 -3.7667239718911270

Zr 5.0815175614927091 1.5860011073502913 2.1542342280017635

Zr 2.9024952349371538 -2.6401654732608306 3.8103777753196293
Zr -1.6183863921031976 -3.2120995533908476 1.7191681610429439

Zr 0.1653845837084612 -2.5442498047512720 4.2298866521254066

Zr 2.3112242613658522 3.4367208799763111 -1.3655792725926601

Zr -0.1921338205909859 4.4373471444166919 -0.5095638299888228

Zr -3.1284626974693261 4.0687035181252638 -1.0428136676198447

Zr -1.9636353498959420 4.3410978167256813 1.7554433098387088

Zr 0.5782395835462039 3.1607233254361096 -3.5169072520828686
Zr -0.2590223496725081 2.6619420393584350 3.5980656623615075

249
Zr 0.1516970243696752 -2.9643208521607280 -2.9700573558138523

Zr 2.6286290403804800 2.0133816236264086 3.4758693584575382

Zr -4.1180126468477667 -0.3328838307959816 4.5902735658275642

Pt13 Zr42 configuration: ∆E tot = 4.25 eV

Pt -1.3763177332373233 -1.2736162257557329 -2.9205788542938018

Pt 0.4464096580636091 0.0805412512622876 3.0379517624573458

Pt 0.4255997611715029 2.5160105342905137 -1.7488455356039418

Pt 1.9858263928932243 -0.8864710731710250 0.8744929646408711

Pt -4.2093635527762050 -0.1937371213233394 -2.6019523579940307

Pt -1.8716740954115438 2.0193825837188353 0.2815163147291261

Pt 0.8030812967139777 2.0884028244782495 1.0884866037793648
Pt -2.3849044895009062 -0.1507362020853850 2.2368203560520277

Pt 4.2428127619008418 -0.1073412347566762 4.1374014212672767

Pt -1.8322002291816888 -3.3383945071857841 -0.7169573050636525

Pt 2.0056086809290798 -2.4560287216055361 -3.6304443857599091

Pt -1.5686319633165284 4.5253872166312714 1.6737645155701619

Pt -0.1265321303162582 0.0787301254341158 -0.6069338860725050

Zr -2.1669303032701297 -3.2683382121033322 -5.1718476741062824
Zr 0.7885822929949936 -2.3823585649794143 -1.1489478355398370

Zr 0.4869326791210310 -5.0339800166661224 -0.0251595095485807

Zr -2.0482676783406593 1.5440974635676081 -2.5382278248638324

Zr -0.4643200058653124 1.3665204794968542 -4.9860635847775194

Zr -2.8717456869084632 -0.5070902946118725 -4.9840067614206811

Zr -5.2261070934437104 -0.0620653972874141 1.5767582685801420

Zr 0.7649579005690211 -4.6448480052907701 2.9337417356729878
Zr -2.1821508843413486 -3.5510341329649453 3.9858967093165978

250
Zr -3.7702064364267986 -2.8686293887069940 1.5030932809102699

Zr 5.8130528449878023 0.3541495460654698 -1.3122837607900744

Zr 3.1753281163804639 4.0790169522552571 0.5460277876207503

Zr 4.1068853932126297 0.4354264243659838 -3.5743126003444496

Zr -4.0047695629179945 2.6446772201292799 1.6986923600985682
Zr -3.5805608513816143 -2.8338776186613348 -2.7015733309411241

Zr 0.8726790477989051 4.1539759702133221 2.6485521641199119

Zr 0.1030903833985290 -1.5711640586399529 -5.3371386909471363

Zr 4.6953654233632927 -0.7373513246434289 1.2202303700849546

Zr 2.8842003262273659 1.2371415381844155 -0.7976369643951041

Zr 4.7834874241199907 3.0628551928229069 -2.0925205745108935

Zr -0.3927904473451295 4.2104899034864172 -3.4053728675988220
Zr 2.7472062926910947 -3.5212895361403174 0.9356821589778467

Zr -2.7634961050630924 -0.6572163852581401 -0.3507264241981655

Zr -1.6700917949550502 -0.6062982029969124 4.9278436003406290

Zr -4.0579030482667751 1.1774482303561182 4.1151417848216800

Zr -4.6945378381653828 1.8217391897249069 -0.9195294194133733

Zr 1.1969366910941599 0.0185970232219131 -2.9689104992055428

Zr 5.3091098100125631 2.1407402247161951 0.7945612509138388
Zr -1.8760321135891276 -5.0148230357927321 1.4041741304757300

Zr 2.6198966792536620 -2.1014830676614213 3.3965093666870478

Zr -0.4893773884663178 -2.2071440228490804 1.8231149969848905

Zr 0.3901057507463915 -2.5083631113528089 4.9585461822475798

Zr 2.3895468137737961 4.7483147367208414 -2.1538485826479183

Zr 0.3480019920822396 4.8329012090496901 -0.2748050976949737

Zr -2.5574557416858799 4.1890790334021641 -0.9306220429911544
Zr 1.7053206030354373 0.1429001757739581 5.2056046681241304

251
Zr 2.3612851445485088 2.6802387875539591 -3.9868769550429244

Zr -1.3267636103020040 2.1607574823680817 3.2107635474017178

Zr -0.4793818355197405 -3.9946734207710382 -3.2483249424534444

Zr 3.8373444774988537 -1.7393015194740418 -1.5939837790685880

Zr 2.9685501327096597 1.5025834810439971 2.5203716638620284
Zr -4.2646921512976466 -1.5944503975990632 3.9926920815507918

Pt13 Zr42 configuration: ∆E tot = 5.00 eV

Pt -1.6989836628444457 -0.8007149947313195 -2.9263930607462623

Pt -0.5373573082167602 -0.3287580748598174 -0.2282450673229287

Pt 1.4355908354564897 4.0292736490661722 -1.2363765212646296

Pt 3.6162428728607190 1.2611295201891750 -0.1920203224954217
Pt -1.5481404974826680 1.8919279617334184 -1.8598080872683465

Pt 1.0543445421830691 2.0815906695124253 0.8546783028150334

Pt -1.7528425227730415 1.1919339703901557 3.6587937529770773

Pt 3.8473849138556582 -3.0352124762904369 1.3336969965498486

Pt -2.5285265355755562 -2.1418657625939064 -0.7556392734535516

Pt 2.1733193252343406 -2.2614037112230649 3.4231001784975650

Pt 3.4862357031378886 -1.0315485361653003 -1.8886315917057583
Pt 0.8683196578674122 -1.6753462834983537 -2.2871148531060168

Pt 3.6533264725574761 -0.0992550063801303 2.4822563386867831

Zr -3.1114406417323059 -0.6230660434772488 4.9463404054601927

Zr -2.4806668517571686 -3.3276403622412518 -4.4952664422020359

Zr 2.7393183669554539 -3.6541501231018829 -1.0125814711177110

Zr -0.3754024608987740 -3.5943244916286377 -0.1097574260042062

Zr -3.4104228833161208 1.2906365228030865 -3.5472807569424400
Zr -0.4552181284366177 1.2615175751224712 -4.6295809598397124

252
Zr -2.8132291143073096 -0.7056252026163718 -5.5259053369238256

Zr -4.4036521500470851 0.5061975993382390 2.4133878888362563

Zr 1.8645750240083410 -1.4116866239904169 0.5345418436244121

Zr -4.3309916455702844 -1.6436794606223060 -2.9956426863968328

Zr -2.3798910869497738 -3.4067334234546225 4.4215999044450189
Zr -4.6766399434843517 -2.3962666458220356 3.2080283331042541

Zr 5.0269991437291512 -0.9606040906767219 0.2472813507304058

Zr 3.0738269406408087 3.8262284355691376 1.0284689236222437

Zr 2.3021839451256576 0.0006596012464117 -4.6719550143965431

Zr -5.0187050655846317 2.6117536292657091 0.8230448973887851

Zr -3.1468221865790631 -4.3603222898119016 -1.8147128628513212

Zr 0.0997686850464654 3.4933923821516855 3.1227484299403034
Zr -0.0746924013903843 -1.7559032015021756 -5.0040966512729153

Zr 4.4616658905314441 1.2173133472207980 -2.8424017669404531

Zr 5.7139437426918764 2.7828366881786364 -0.2684244664897743

Zr -0.3973803216725194 3.8969286088598123 -2.9738450333755519

Zr 2.8425849469837865 -0.2817600995360266 5.0172673369987582

Zr -4.8240519540257676 -2.3283630044554089 0.3984934619236800

Zr -0.2306392790160224 -1.5504704972339567 4.9274873204774812
Zr -2.9271914442623390 3.7630559006844946 2.4800634543962463

Zr 2.7545581635816441 -2.7260833310124299 -3.7929096905088624

Zr -3.7813305108752409 0.3428119347792659 -0.6485980246033146

Zr 1.3244958756710710 1.1653876771367806 -1.8451543380213149

Zr 5.1664106364718894 1.9903737512863728 2.3180029453300666

Zr -2.8403158959236996 -4.2686342188163140 1.6368950757826486

Zr -2.0267338291806047 -1.3913751547804594 2.0077327335431949
Zr 0.0143169418307800 -3.6073463808145307 2.7307807432276139

253
Zr 3.8549120003033388 3.9425986649563951 -2.0785900894077951

Zr -0.5610072060791729 4.4800111166866854 0.5508941430250492

Zr -3.0417626952470207 3.8859815848512111 -0.6643244836556174

Zr 0.7620990257021369 0.1638588543158363 2.6963913628003855

Zr -1.7538648103097123 1.6883616246574917 1.0101130991875369
Zr 2.2307818281840448 2.7999322978643617 -4.2063397848939541

Zr 0.3619324710280218 1.3893933204856268 5.3403724826797419

Zr -0.2508642185581968 -4.0011955685314975 -2.8896118541721432

Zr 2.6496293004576708 2.4142481715166495 3.7787462113286541

Pt13 Zr42 configuration: ∆E tot = 5.49 eV

Pt -1.6540781716175683 -1.2860395999168097 3.1617256535121565
Pt -0.6751419696453009 4.7185055733033154 2.3439269725453893

Pt -1.0322066457739769 -3.2837148636428064 1.0819735531354657

Pt 3.1371557896108531 3.0260829273513878 -2.8307137556646649

Pt 2.6608538907431312 -1.3968696265508860 -2.9671863406969519

Pt 1.5595187322169775 -2.0838688413282713 1.1958377706945782

Pt -4.5696664601151671 3.2825413670836583 0.1350063623900205

Pt 0.7354104560492525 0.0531726886772996 2.8552514762083896
Pt 1.6233914315746070 0.3908419449800217 0.0092238622271165

Pt 0.6467475817904802 3.1997152079197577 -1.2682783481790294

Pt -3.8690535862596480 2.8077670413664770 4.2872007438729343

Pt -1.6803637932399536 1.2629381540274811 1.7999393254613876

Pt -0.9905215127142810 0.9946616648264563 -0.9284057736858319

Zr 1.7157128156890433 -3.7148959960456422 -3.6078897877144347

Zr 3.5493591595054843 1.2824695443161640 2.0107211508247551
Zr -4.2614000417456115 1.3312744077803313 1.9994667855247721

254
Zr -2.1061615955311783 -2.4152150166766737 5.4358365766465644

Zr 2.5087745434800013 -0.4861049922077228 -5.5071353699643177

Zr 4.1893343937987098 -1.2692953675208023 0.9315785951932881

Zr -0.1351481939397043 -0.0736575303551735 5.3968530997804338

Zr -1.2077507382022095 2.5709781588146758 4.0248460982250949
Zr 0.2397480565162358 -1.9696226580597744 -1.3763542187995557

Zr 2.1981204309480162 5.4826218042292263 -2.3557173392161102

Zr 0.5344887494539661 3.8728427308412514 -4.2979289430997492

Zr -2.1005827907942756 -5.5377766866917950 0.4250397522822557

Zr -5.1665210975482498 -1.1500223879365890 0.1251770161346532

Zr 3.0150851136352745 -1.0554789678652923 3.7298709610101253

Zr -3.7447984549468867 1.1811360060735168 -1.1210468582627977
Zr -1.2540325818439282 -3.6637024472312336 -3.5935414029978010

Zr 4.5196393256005507 0.8097678314979961 -3.8142574770136517

Zr -4.2640909860558924 -3.7187377155804060 1.0728806938903561

Zr 1.8460479737389370 1.9365525201308817 4.2648093197266670

Zr 0.7934150728396734 2.6123616362518960 1.4923912526703009

Zr -1.9515018596959504 3.5407062996420886 0.2755346694608264

Zr -4.4355363006316253 -1.6971860537303303 3.0731151894109527
Zr 0.1253191276142491 -5.0657153371403121 -1.4637831228502416

Zr -1.7076998351828454 2.5318438404083854 -3.1148839832449906

Zr -1.8972017554862521 -0.5469031620536291 -3.0266984848883092

Zr 1.1668224734124255 0.9404087551017288 -2.8869901276298333

Zr -3.0697333928376036 0.3910096278933710 4.7852878781045325

Zr -2.7964530225681727 -3.2205866244624146 -1.4301719490118467

Zr -2.4585246882236280 -4.1433862424725154 3.2384091774148955
Zr 2.8665786958834829 -3.6638492425598783 -0.7665779239518574

255
Zr 3.9708447695342972 0.8298117893185268 -1.0459303133271158

Zr 0.5332209772371010 -2.8630294918898698 3.6584604584661053

Zr 3.3065145854109277 -3.6843284041164419 2.4192489338803216

Zr -0.7683987073625591 5.2757930267143474 -2.0930620606817318

Zr 0.8524235144552907 5.6128944730804440 0.3457450383250432
Zr 0.9920369701999592 -4.9724903928895907 1.2997829679106132

Zr 5.0055004897165887 -1.8027146906331324 -2.0234948449099623

Zr -0.0770624817247931 1.2857144867903725 -5.5378278922019044

Zr -2.3034280311986812 -1.0114426151000671 0.4864366371285632

Zr 2.7129393376236592 2.4053312220586656 -5.3852076102993225

Zr 0.0789645431286488 -1.5647607241682944 -4.7810504627708470

Zr 3.0930896934781122 3.7116509483466253 -0.1374435809956938

Pt13 Zr42 configuration: ∆E tot = 7.18 eV

Pt 2.0680468503605276 -3.6919215981614384 -1.8967498455140797

Pt 0.0993032398628737 -4.1400754288064654 -0.1206049339204466

Pt 2.5984688364764530 -4.0942310027925082 2.9823745424323538

Pt -2.0061248866686050 -2.4701054263616511 3.9730384686906155

Pt -3.9051783985588067 -1.6542004314393168 1.7954840082417720
Pt -3.4768857532835717 -2.6902853572517342 -2.3438725289437907

Pt 6.0724936750644325 -0.2440900400599545 1.8868519318086217

Pt 2.7884406360971603 -3.0740770156710751 0.6013037767145878

Pt -4.5074608022561087 -3.6564174353781409 -0.0491585358013250

Pt 3.3129942271370956 -1.7546051964050478 3.9757955239373337

Pt -1.4717530181451399 -4.2664838659680235 2.0828884262255660

Pt 0.6941101861625010 -2.3123054009832158 5.0175797064118797
Pt 3.4333543080359723 -1.3609561712949969 -1.6502547466173494

256
Zr -2.8037090217583263 -2.7681663047307934 -4.7999236768495166

Zr -1.5823789302192528 -0.6312604274656152 -2.8121865175287435

Zr -2.9008412712655662 2.1632523179078662 -3.7800198209622518

Zr -0.2610440025525270 1.4820096556953970 -5.0263826747402618

Zr -2.6973466431638862 0.0027723445447990 -5.6752839245740461
Zr -4.5635370020433506 0.8892633437574958 2.0289596023199556

Zr 0.5666533986033040 -2.7234411712680453 2.4005233093354810

Zr 0.0145458359199859 1.8006145725364788 -1.8426434552793010

Zr 3.3556881138082977 -0.7205596216489126 1.4690994757182809

Zr -4.5679867073672575 -0.4466494803469160 -3.6593423492434449

Zr 5.5048898760888356 0.1687621267642684 -0.8780711101325093

Zr 2.8186227338393302 4.1165650515901753 0.7248541716309095
Zr 4.3938112348604328 0.5664740086346755 -3.4737699820581152

Zr -2.4907068527800824 0.7039142057630742 -0.2054218259744968

Zr -4.4673900432640075 3.3016340766085550 0.6101172278719108

Zr 0.6538622259935745 3.9236452647402489 2.7099549264856369

Zr -0.2358459224364003 -1.6370581249198424 -5.4014188222786856

Zr 2.7294823050153800 1.4140381109996454 -0.8779259359007480

Zr 4.7672768602427560 3.0650747015020743 -1.8113874831520886
Zr -0.3848253744760120 4.0625853946288721 -3.4112401274172153

Zr 0.6752680690972250 1.1981364843008648 1.3369363408153252

Zr -1.6942925214706894 -0.0885313374719018 2.7493296087869230

Zr 4.7504579142333192 0.3714169311508229 4.0490451434685584

Zr -5.0470405635047690 -1.1548147655990804 -0.5937133034299219

Zr -1.3180903717571970 -0.5302851761035000 5.6990538392767007

Zr -3.2756817878396340 1.5921543059607373 4.6578063672006893
Zr -2.0618837543890471 -2.6840813476602348 0.0066228042022661

257
Zr 2.7320194353657108 -2.6679388858752118 -4.0660720918033348

Zr -4.9388917828031289 1.7032547732012133 -1.7088338262160503

Zr 1.5041149535890066 -0.2378482007612589 -3.5121592759630285

Zr 5.0221952932615146 2.1054932205272694 1.1894535934972625

Zr 2.1027268462950124 4.5858133238559908 -1.9450338013945154
Zr -0.0488148295047528 4.3356699630646922 -0.0754090851746693

Zr -2.6874135547540199 3.7509361066738807 -1.3752337316186638

Zr 1.4558246509013737 0.0797781179359916 4.1462582373843020

Zr -1.9745603942371337 2.8177304750873491 1.9548665856185610

Zr 2.4687513895216817 2.6746643802954013 -3.8791374550335713

Zr -0.5606324630900337 2.1608774117002172 4.6706874078420242

Zr -0.3376993184739979 -3.3264692716230497 -2.8773795605233086
Zr 0.8286491903164654 -1.3825084893311825 -0.6176101494955329

Zr 2.9933576915662448 2.4829047820984629 3.2069649502189468

Zr -4.1373940056531673 -1.1100684761474142 4.4403906014045447

Pt13 Zr42 configuration: ∆E tot = 9.23 eV

Pt -0.7831015560769942 -1.8786337895999559 2.9013938951220140

Pt -3.8410295226239639 0.8247985684705759 1.8565361330056633
Pt 1.3898602255691712 3.9097746528032253 -2.6994129517251353

Pt -1.8434313164996270 -5.4499207290139502 0.0976962074532410

Pt -1.7694883265830386 -2.5924412487872637 0.3862448902292657

Pt 1.1915767624740738 1.1813320507211706 -3.1835901602133121

Pt 0.7324173735515188 -1.9714763123864536 -0.9364346803247783

Pt 1.8299941124799288 -1.4672765227476070 1.8483249383188693

Pt 0.5264786502034328 0.6359826482704598 3.1964305173355725
Pt 2.1142827849182484 0.4971748091031918 -0.2473760531398581

258
Pt 0.0816984452760495 2.4418649309467533 -0.5531228312106420

Pt -1.4854550489074627 2.2995962979610090 1.9031303362144898

Pt -1.1538591853082012 0.2217420372255879 -1.9706275029339919

Zr 2.3538847273618333 -3.5808089148172080 -3.3869887308153310

Zr 3.2670594401375754 1.1874235167596972 2.0878497519875778
Zr -2.1554659311067410 -2.5283244095274249 5.0046645052083978

Zr 3.1568820793336161 -0.4424168726576844 -4.7155634983280219

Zr 4.3970350461591918 -1.4087528270406828 1.0265140573722122

Zr 0.2457163037583883 -0.6287858433010278 5.6086139661986341

Zr -0.5497681955867023 2.9021897979685809 4.7197998863608337

Zr -2.1707194454529684 -2.3577697660770518 -2.3542979197591607

Zr -1.5248655859654805 4.9505384221486288 2.8337447682225316
Zr 0.0101372581132069 3.0986303739046184 -5.2640540571456835

Zr -4.1067811825519209 -0.7547960448932649 -0.3942365983821630

Zr 2.8896442516792633 -1.0307658353494666 4.3061030625450076

Zr -2.9686403928458360 1.9702649645357901 -0.5019236807110430

Zr -0.6445206744179558 -4.1860743987726714 -4.2271957401393205

Zr 3.9115359123635360 1.6001064872724733 -2.7535934723019708

Zr -3.9762092355904399 -3.7814366533477077 -0.1519537635569306
Zr 2.1616584628467224 1.8888527132910617 4.7825242884270711

Zr 1.0472433265139671 3.2438515272575223 2.0533855941726116

Zr -1.6411900434026252 4.5499854759475715 -0.1224943909374316

Zr -3.7064202661039842 -1.8376687992936631 2.3794775259351169

Zr 0.1913765828206693 -4.5802691053197400 -1.5402790688184338

Zr -1.3597642674846016 2.9453425895986989 -2.9012745928367694

Zr -3.5060408756714962 0.5706148362527506 -3.0044178835506004
Zr -1.5142293302119556 0.5374323203573317 -4.9422178264864396

259
Zr -2.1413094607209557 0.3335798463647484 3.9959924359336738

Zr -2.5730564054549716 -5.3491106036117166 -2.4438766658419540

Zr -3.9940783327218212 3.7739432427743145 1.5774902870885101

Zr -2.1110770157388941 -4.3945069669546051 2.5994342420546714

Zr 2.9040177145151262 -3.5711432845546192 -0.2816014337462163
Zr 5.0278178272154070 1.0907411660129673 -0.2602426920392260

Zr 0.9511357839414133 -3.2278857691806415 4.4392637729964850

Zr 3.2660449221312917 -3.6746699805109806 2.7268500054054967

Zr -0.1645586932093665 5.8768260679126092 -2.5197968055091295

Zr 1.0606140724070114 5.4253774844987310 -0.1261490401312655

Zr -3.4153911459732256 2.9162177821504178 3.9635111520926940

Zr 0.5366291160332167 -3.9396942709625868 1.4266417546397336
Zr 3.4499108347382506 -1.1720436252714244 -1.8804430015503455

Zr 1.0254507235339274 0.4742371154757370 -6.0395068310193505

Zr -0.5672820388420604 -0.0757530618210289 0.7075632462981092

Zr 2.6417415731554459 2.8314615267719523 -4.9164614692694339

Zr 0.4555609662969487 -1.4600504802482241 -3.6331048530471848

Zr 2.8503281955248556 3.1625928632904738 -0.4769430251473479

Pt13 Zr42 configuration: ∆E tot = 11.11 eV

Pt 0.0000001454544895 0.0000001454544863 0.0000001454544861

Pt 0.0000001454544895 1.4148900655440220 2.4794211404627835

Pt 0.0000001454544895 1.4148900655440220 -2.4794208495536405

Pt 0.0000001454544895 -1.4148897746348790 2.4794211404627835

Pt 0.0000001454544895 -1.4148897746348790 -2.4794208495536405

Pt 1.4148900655440253 2.4794211404627835 0.0000001454544861
Pt -1.4148897746348756 2.4794211404627835 0.0000001454544861

260
Pt 1.4148900655440253 -2.4794208495536405 0.0000001454544861

Pt -1.4148897746348756 -2.4794208495536405 0.0000001454544861

Pt 2.4794211404627866 0.0000001454544863 1.4148900655440217

Pt 2.4794211404627866 0.0000001454544863 -1.4148897746348792

Pt -2.4794208495536374 0.0000001454544863 1.4148900655440217
Pt -2.4794208495536374 0.0000001454544863 -1.4148897746348792

Zr -4.8767220631804982 0.0000001454544863 -3.0059485381682189

Zr 0.0000001454544895 3.0059488290773619 4.8767223540896438

Zr 0.0000001454544895 3.0059488290773619 -4.8767220631805017

Zr 0.0000001454544895 -3.0059485381682189 4.8767223540896438

Zr 0.0000001454544895 -3.0059485381682189 -4.8767220631805017

Zr 3.0059488290773650 4.8767223540896447 0.0000001454544861
Zr -3.0059485381682158 4.8767223540896447 0.0000001454544861

Zr 3.0059488290773650 -4.8767220631805008 0.0000001454544861

Zr -3.0059485381682158 -4.8767220631805008 0.0000001454544861

Zr 4.8767223540896474 0.0000001454544863 3.0059488290773619

Zr 4.8767223540896474 0.0000001454544863 -3.0059485381682189

Zr -4.8767220631804982 0.0000001454544863 3.0059488290773619

Zr 0.0000001454544895 4.8916052053421817 0.0000001454544861
Zr 0.0000001454544895 -4.8916049144332083 0.0000001454544861

Zr -4.8916049144332057 0.0000001454544863 0.0000001454544861

Zr 4.8916052053421843 0.0000001454544863 0.0000001454544861

Zr 0.0000001454544895 0.0000001454544863 -4.8916049144332092

Zr 0.0000001454544895 0.0000001454544863 4.8916052053421808

Zr 1.4750613332494391 -3.9050185128732902 2.4102310160603442

Zr -1.4750610423402895 -3.9050185128732902 2.4102310160603442
Zr 1.4750613332494391 -3.9050185128732902 -2.4102327251511961

261
Zr -1.4750610423402895 -3.9050185128732902 -2.4102327251511961

Zr 3.9050188037824336 -2.4102327251511961 -1.4750610423402930

Zr 3.9050188037824336 -2.4102327251513667 1.4750613332494356

Zr -3.9050185128732871 -2.4102327251511961 -1.4750610423402930

Zr -3.9050185128732871 -2.4102327251511961 1.4750613332494356
Zr 1.4750613332494391 3.9050188037824305 -2.4102327251511961

Zr 1.4750613332494391 3.9050188037824305 2.4102310160603442

Zr -1.4750610423402895 3.9050188037824305 -2.4102327251513667

Zr -1.4750610423402895 3.9050188037824305 2.4102310160603442

Zr -2.4102327251513636 1.4750613332494358 -3.9050185128732902

Zr 2.4102310160603473 1.4750613332494358 -3.9050185128732902

Zr -2.4102327251511930 -1.4750610423402928 -3.9050185128732902
Zr 2.4102310160603473 -1.4750610423402928 -3.9050185128732902

Zr -3.9050185128732871 2.4102310160603442 1.4750613332494356

Zr -3.9050185128732871 2.4102310160603442 -1.4750610423402930

Zr -2.4102327251511930 -1.4750610423402928 3.9050188037824305

Zr 2.4102310160603473 -1.4750610423402928 3.9050188037824305

Zr 2.4102310160603473 1.4750613332494358 3.9050188037824305

Zr -2.4102327251513636 1.4750613332494358 3.9050188037824305
Zr 3.9050188037824336 2.4102310160603442 -1.4750610423402930

Zr 3.9050188037824336 2.4102310160603442 1.4750613332494356

Pt20 Zr35 configuration: ∆E tot = 0.00 eV

Pt 3.2462384132009769 -3.4635165141305526 -2.4261179915033111

Pt -4.7759305951131754 1.6095955721056250 1.4627236877978973

Pt -0.7271326082971454 -0.2114546329973813 4.3477556989590438
Pt 1.4984951456771733 3.8270460245995856 -2.4302137555272534

262
Pt -1.6282176246304714 -5.4446595612614201 -0.0778636036669872

Pt 3.4228566212473468 1.8805225535444177 4.1725697243066771

Pt -1.9469170892751502 4.3850006609406416 0.3045304239848293

Pt -4.5048566565834225 -1.8623423440546698 2.9918320169716068

Pt -1.4007045262114703 3.3016310067762094 -2.5176474149668540
Pt -3.3337022095375795 -0.5934460420258930 -2.2315087305513686

Pt -1.1764625191201417 -3.9725629208469568 -2.8986282804002368

Pt -1.8875948756078904 -4.2160980524896603 3.8939503651818139

Pt 4.8221975969812849 1.3321498617858343 -1.2851224568201385

Pt 2.2178107681911103 -3.2693444642025868 2.9153680441368017

Pt 1.3667025515570719 5.0357708181695928 0.5024106485928109

Pt -1.9996712173495903 2.8881479035393856 4.1013289933792727
Pt 3.5166823358004087 -1.1263438927344900 1.2812547364896503

Pt -0.9041119751760169 0.8056304181135526 -5.5284712512826459

Pt 2.0260779801707147 1.3463946193774536 -5.4147477815125491

Pt 1.0214072726790693 -1.2369744121574093 -4.9479259882678264

Zr -1.6172279628655419 1.4356065916965266 1.8231120347790197

Zr 4.4089550673331592 1.3050358969471045 1.6606759467369283

Zr -1.6941020642375000 -1.6288066638560685 2.2578163272691425
Zr -2.8172257329974024 -2.0775702681827495 5.0303370228782693

Zr 3.2746220902168921 -0.8439536619188573 -3.5612232557224033

Zr 0.6634690036396387 2.1372472552270052 4.5232709591864975

Zr -1.4377988230452010 -1.5331372800241485 -3.8264960910073746

Zr -0.3111754344661757 4.2659328766124762 2.4747379791298982

Zr 0.2133526853741834 3.2850856390360432 -4.6990449824555451

Zr -3.8162228397958153 -3.1719232027368376 -2.2227561303537300
Zr 2.4220746555612407 -0.5626497978639237 3.8642330227846182

263
Zr -3.2450388906115095 2.2184243102474133 -0.6836909915611783

Zr -1.6401825376992909 -2.8489398585154282 -0.4197544992379089

Zr 0.5224567155619455 0.9445407908194535 -3.1768401291124775

Zr 1.2223400168854635 -3.7364032047895366 -4.2159466046940040

Zr 3.3997936505076267 2.2963855560038224 -3.4045146970276416
Zr -3.4395358778663820 -3.9830287919358804 1.7260224169280036

Zr 2.7221162341559881 3.8731383220915498 2.6347195584450871

Zr 1.0445342785662486 -1.9670171901336075 -1.8932293273614320

Zr 0.7567000386811038 -5.0505616752771560 -1.3489009480301384

Zr -2.7271153067950409 1.4721046880878366 -3.8530579225841617

Zr 0.8692878638085852 -1.6577842910724889 1.1456717835339507

Zr -3.6112184140590622 0.6010467151178266 3.6457092551232693
Zr -3.6259489599610917 3.8149564785317063 2.2554425801954157

Zr 1.3719324517258389 1.2183058106453448 1.8577387068682452

Zr 2.9195226965625136 -3.6823616148327014 0.2227090319726486

Zr 0.2406358593409903 -2.7290224277295048 4.5078730122793669

Zr 2.2848790929765044 0.4822629291015527 -0.8597284447587689

Zr 0.1631677224551813 2.7637445618447876 -0.3055165791927070

Zr -0.3600861927302239 5.6485240827725329 -1.5416296050063192
Zr -0.1039665415711275 -4.4867465939137654 1.8603054440579161

Zr 4.7099475134201310 -1.4305351753055244 -1.0647248227988477

Zr -3.9553097813696803 -0.8287971922658607 0.4506131274735026

Zr -1.0341470225420120 0.0284224642928229 -0.7886669440009956

Zr 3.3733479572367160 3.4133273192269558 -0.2907433200373752

Pt20 Zr35 configuration: ∆E tot = 0.96 eV

Pt -1.7495779110868619 -3.2252339392720284 2.7361749685334362

264
Pt 0.0862398580762407 -4.2074115338940725 -2.5276190518208490

Pt 1.4454377599745505 3.5557007762086403 -2.0920547941835106

Pt -0.9441574312091796 4.5604929248813040 1.3351900852080292

Pt -2.3356884514853840 1.4214658277488630 -3.2160263828053952

Pt 2.2431236115219924 -1.1734327593427574 4.1386810093821538
Pt 3.9896789448112151 1.7730210511158921 0.9764902716260251

Pt -4.8247255625938577 1.2931249011058858 -1.7333837761124611

Pt 0.0462980832778732 1.9963184528464686 4.5490728933871338

Pt 0.9501481531537030 1.6366544897805844 -5.6922389851496149

Pt 0.1061283613119719 -2.8089108644018790 5.0239559524955126

Pt -2.5927486200422885 -1.9860617319023512 -5.2172451706088481

Pt 2.9109168224675961 4.5605451174493954 1.4148555886627208
Pt -1.5717038240578511 5.1545439071546628 -2.4923294316765658

Pt 2.6940251357450085 -3.7934458762661176 0.4754234982649053

Pt -1.5526114712163683 -5.3300646078770466 0.7772862118932438

Pt 4.6480803035886566 -0.2953789666070871 3.0199370077659355

Pt 5.1199169550052490 2.1007146315487706 -2.7427105819287330

Pt -5.5506385598717882 -1.9929952544308216 2.1279427580158967

Pt -3.3189375926441351 -2.4136924007195955 -1.2005248622526066
Zr 0.2756232987506571 -0.0931993741340430 0.1293259062599275

Zr -1.2789152167073206 1.9334046745060383 2.0382947464739405

Zr 0.4235764067569341 0.8822400270713492 -2.4960238931700327

Zr -0.2141754880785691 -0.7705706619629050 3.0091231748388796

Zr -1.0635358321187476 -1.8512853035767998 -3.0344296542917131

Zr 1.4212007866040159 2.4330002621666598 0.5543836187803353

Zr -1.3086210622582706 3.0845454324809669 -0.8573328746153803
Zr 1.7444849543671928 -2.2091372293076130 -1.6770289060146266

265
Zr -0.7097773620122774 -2.7727976174330831 0.2296884491278378

Zr 2.6506179563617827 -1.0333331025762058 1.2085622893373114

Zr 3.3975742239810649 0.4405229563936804 -1.5038616390980761

Zr -3.1691980564584576 -0.7313159120817100 2.1722635933162056

Zr -2.3769698126293854 0.0898070269296786 -0.6827854965431894
Zr 1.0273298660089414 5.3911744579074696 -0.2388224819516009

Zr 0.8307299160325816 -5.4500533386739800 -0.3404930589275492

Zr -5.3014236462782263 -0.8083337135332850 -0.2015214134126350

Zr 5.7019259816569390 -0.2029507702442980 0.6677168435373491

Zr -1.2460387438130618 0.2666713436353111 -5.2566540818395850

Zr 0.3745922158142467 -0.2656134842396919 5.9004373819410745

Zr 1.1052652856639757 -3.6224339298826873 2.5595824048198357
Zr -2.2960591816605977 -4.7710531150016902 -1.6666013886472084

Zr 4.5864497242631730 -2.3648649357001101 -0.8646308524513839

Zr 4.5781511953824863 -2.8199705240390482 2.1923718679480717

Zr -3.7969576535677327 -3.6806580157446671 1.1298251439227045

Zr 0.9027120474817827 4.2108674802764074 3.1333558507310673

Zr -0.4601709046809099 3.3563376689714763 -4.0703712066430597

Zr 2.8202650156072884 2.3669987930833134 -3.9898622752221367
Zr -4.0002060926229204 -0.7571125563324140 -3.3649799635055468

Zr 1.7586697288922584 -0.6725332115823458 -4.3428131294942176

Zr -3.9888335148333902 2.1594896757084019 0.6068880676287052

Zr -3.6834872619340779 3.5860718091532693 -2.5567084071544595

Zr -2.3454147778194163 -1.9974196799990531 5.0065648336733517

Zr 2.2665084046100907 1.4146370824240526 3.3232674612927044

Zr -2.3357811514499525 0.8288989197467221 4.6184853807882433
Zr 3.9106841859615549 3.6040147204641233 -0.9960935001315503

266
 Pt20 Zr35 configuration: ∆E tot = 2.56 eV
Pt -1.3092237741037669 -3.8589957197644398 2.3754982872587131

Pt 0.4194374620708497 -4.2845351458671557 -1.8952779298859443

Pt 1.3128132811969533 3.8552591049468075 -2.3823073986269581
Pt -0.4209338662249668 4.2877531847576593 1.8903733381226768

Pt -2.4159714993256745 1.4943397870080133 -3.9021344903486099

Pt 2.4153153534731486 -1.5007874005077639 3.9061694981526127

Pt 3.7726201074932573 2.3433367349606979 1.6112671063444761

Pt -5.0911592984749596 0.6025912363843388 -2.4504823165474452

Pt 1.4886671049413887 2.6931435924939220 4.9387412599836491

Pt 0.3791075120635140 2.3156990640580344 -5.1770234039526688
Pt -0.3820157212255101 -2.3228716397127331 5.1752755127147818

Pt -1.4964921925006782 -2.7002831962965987 -4.9335539015218703

Pt 2.6700795420724757 5.3200011844875750 0.4044936860824944

Pt -2.3999321107139013 5.1170201863830558 -1.3878390423127573

Pt 2.4118233500880719 -5.1102425166633934 1.3864955938033088

Pt -2.6594231496678122 -5.3278556257308223 -0.3883362273305782

Pt 5.0937386749012044 -0.5941028850590472 2.4514530894331186
Pt 4.9481370546287176 1.4243485103704614 -2.5143277659077601

Pt -4.9499721473606506 -1.4262527085782637 2.5121988919946627

Pt -3.7768151309945170 -2.3342514338258442 -1.6099736473241339

Zr -0.0005984479224669 0.0006858470380818 -0.0003375575686366

Zr 0.1254038775344395 1.6978083884845290 2.7868076994670812

Zr 0.1009237780127149 1.3572920297211766 -2.6793898924146422

Zr -0.1013953582922188 -1.3582512997312535 2.6788542908224056
Zr -0.1335455581470303 -1.6973890522681387 -2.7860312751914851

267
Zr 1.4356288321794761 2.6432055130954351 0.1283735647889355

Zr -1.6573690736876718 2.8087536277280916 -0.1265711665142905

Zr 1.6624644990717468 -2.8048733786346278 0.1213743743669422

Zr -1.4340606367472295 -2.6433910676105969 -0.1265719191141077

Zr 2.6381247456999444 -0.2068499494608916 1.4269194612411891
Zr 2.7546255965211270 0.2833005739514048 -1.5962985023100575

Zr -2.7556339805320778 -0.2846338248152763 1.5969790191850164

Zr -2.6395549401448153 0.2088538801540351 -1.4256978234766482

Zr 0.1911183792525447 5.4056758453981475 -0.4817373475598945

Zr -0.1746732358392326 -5.4054892253862503 0.4766883741519816

Zr -5.4231428510685156 -0.7601428706481700 -0.1612793168621440

Zr 5.4193425554623795 0.7710179196104688 0.1625327426668717
Zr -0.7645165626195723 -0.0815470386373279 -5.4222739775639273

Zr 0.7616080447048755 0.0744652240038560 5.4215164848212023

Zr 1.1565514351768240 -4.0341545904310037 3.3689804662027880

Zr -2.1487715191010426 -4.1879986186280602 -2.7059058052278804

Zr 4.4303631708940010 -1.8890265139932609 -0.3889113802627069

Zr 3.9852753234426372 -3.0106357452990014 2.2485809073708563

Zr -3.9224590533447059 -3.3527064613181241 1.1344132594569372
Zr 2.1388761915899335 4.1864028061955851 2.7185787801499144

Zr -1.1545325321883941 4.0345670767535982 -3.3713795770521617

Zr 2.8185783109276525 2.3705680007823813 -4.0582602169723234

Zr -3.3936330827568173 -1.2219384199025882 -3.9979564296506371

Zr 1.9401349882937222 -0.3584158787078907 -4.4134464969678877

Zr -4.4238890999237093 1.8954335040216932 0.3915235229750831

Zr -3.9815112827351373 3.0186707584182355 -2.2460385798456262
Zr -2.8184765277753701 -2.3793300315165911 4.0513393539721303

268
Zr 3.3874082054734953 1.2199793090949214 3.9953997117565789

Zr -1.9445520666314982 0.3503249884589051 4.4157969361368625

Zr 3.9160873228828463 3.3564543602340078 -1.1472818251094825

Pt20 Zr35 configuration: ∆E tot = 3.12 eV

Pt 0.2903391248503949 -2.6721784594803770 4.5956688504534187

Pt 0.4984803185709566 -3.0432969698220935 -4.4453252431392256

Pt 3.6950402360893677 4.6722400378048565 -0.0799198860158323

Pt -3.8755981885180417 4.7374535280664691 0.3518734517945694

Pt 2.3625597736818844 -4.9355556217753769 0.4069165689647296

Pt 4.7357878210922868 -0.1324611985270241 -2.2553270865901736

Pt -4.1548946009367578 0.2849318541658629 3.3207601934778355
Pt -0.0706294129520314 -0.1560770014324778 -0.0221094244497546

Pt -4.8008351186275044 -0.0664531164680813 -3.1764865041125203

Pt 0.1618022266721409 3.3659527840703314 3.8230263237862774

Pt -0.2091686703884091 2.5313297043985736 -4.5000556463100478

Pt -2.9156457698022122 -4.7789481999134704 -0.7695896661268218

Pt 1.4127159546657748 2.2059176735688917 0.0413427994400284

Pt -1.4778198406216361 2.3607425395405963 0.5345518433510368
Pt 1.5746432486556059 -2.3918885252096933 -0.4240601251099771

Pt -1.7426947120173408 -2.3736643123254870 0.0518929200659335

Pt -0.0451073103371312 5.6904081522788648 0.1594865002746790

Pt 1.8206584445064764 0.0808268114575565 -2.1067519543606208

Pt 4.4467608428867598 0.2985017190590195 2.8686597659896025

Pt -2.4050288670888462 -0.1320957834310395 -1.7081712316251039

Zr 0.1974558991580567 1.0359566672293721 2.4819419702085357
Zr -0.4217449739112465 1.7976259792486229 -2.0084153965518707

269
Zr 0.3199277263672103 -1.9229356725205509 2.0746584391699772

Zr -0.3084796326818958 -1.8541023414979765 -2.2526975517702708

Zr -2.5294233894087497 -0.1107029911588445 1.3023789151256955

Zr 2.6614145824776201 -0.1001760533682575 0.8506918290277616

Zr -0.2649043303148927 -4.6984764321706347 -0.0820504229132009
Zr -4.9173176894667003 -0.2525768077570508 -0.4126525622044166

Zr 5.5266280860370207 -0.0843137944485609 0.2821335301664452

Zr -0.0356348035732607 -0.1127745004824721 -4.8474103340784067

Zr 0.3754572017010093 0.1805696279017336 5.2937742448454488

Zr 1.2644811389383235 -4.6088285717554935 2.8108617964914462

Zr -1.7063871557390384 -4.0272182618196393 2.3905900388903634

Zr 1.7032603046123440 -4.3304070285409306 -2.4007955991658063
Zr -1.5385381965992919 -4.4563069119826491 -3.0664961199776739

Zr 4.0654055052024249 -2.4434783785791145 -1.3108965004692574

Zr 3.6254696864703546 -2.8348164336198201 1.5770946228258771

Zr -3.7635517855654270 -2.5924570830654110 -2.0852212141184081

Zr -4.1199855356202315 -2.8182070620014619 1.0802423393224079

Zr 1.4782341878967613 4.2725280153408836 -1.6027093740363536

Zr 1.6030951755480500 4.1941196539606427 1.7126407491601843
Zr -1.8276746432136419 4.4067834381079525 -1.3405089969576263

Zr -1.6710847634041115 4.4738188219184440 2.0056062520507654

Zr -2.7784172521688233 1.5360007195123597 -3.9220747258951887

Zr 2.3051202915516469 1.8913007685588508 -3.8592712473867463

Zr -2.5227396315792716 -1.5662933971181434 -4.2732541139548088

Zr 2.7013272240247388 -1.5923406412827450 -3.8993194160057127

Zr -4.1220454665968314 2.4760084490353202 1.6685284418512059
Zr -3.8514256085843512 2.2631011170997377 -1.2460987127583418

270
Zr -1.8936390407141075 -1.0363322497428686 4.0865751453628691

Zr 2.5701205712218793 -1.2746349225249520 3.9502277903861742

Zr 2.6023160484735439 1.8506178056033644 4.1490077106339500

Zr -2.1969046422055398 2.0311242638994296 4.0802168576863611

Zr 3.9486784011159028 2.2105502845787024 -1.3446478078306565
Zr 4.2201410101687875 2.5515883074162540 1.4909669731112534

Pt20 Zr35 configuration: ∆E tot = 4.29 eV

Pt -0.5274615879580919 -4.1916536109399978 -4.9317533354301304

Pt -0.7871771033602910 -1.9584689488234290 2.7420754305406914

Pt 1.6042025021415032 0.8038782655214437 -3.2640486679781717

Pt 2.0509603594446686 1.0534815027907274 4.8129966547172591
Pt -4.7387088284767147 -1.3169236932209523 3.8572706220944766

Pt 2.4195859506418280 -3.9063006074528510 -2.9663947901114658

Pt -2.6856985130725946 -0.1911348426231218 -2.3331748413641002

Pt 1.5382638568768987 -1.2565135600680262 1.3754499656807455

Pt -0.1629200544296483 0.7313986199246966 2.4036761763921173

Pt 4.6408504435428108 1.6183395630594286 0.5013279183623528

Pt 3.0817397101668327 -0.4588285979575616 -0.8038139982988660
Pt 3.8055071623744183 -3.4875149436984025 2.0994515901706561

Pt 1.6202012838412434 3.0844535044547512 -1.7031862681388719

Pt -0.7577295824828065 5.9149435108061397 0.4821067070178847

Pt -2.7537912020764299 3.1012000171508913 4.4612618555059260

Pt -2.1814865972895205 2.0805237730812673 1.0865419067427664

Pt 0.9621748243635737 0.5600428450904463 -6.0235921623840234

Pt 0.7970278969492834 0.9321653067337007 -0.1878636713438858
Pt -0.0270751135940890 -3.2872097313295687 0.2148813261503278

271
Pt -2.4842582582963963 -2.9917645146243612 -1.0132608654527167

Zr -2.7465715823661636 4.3583680767395467 -0.2540397514050688

Zr 2.5418051465063591 1.3539815780940292 2.1894630732264324

Zr -4.7595401089108487 0.1284941394789293 1.4820074298749641

Zr -2.5300802858004854 -2.3697232718078625 4.9634933857544334
Zr 3.5199845363679501 0.0157767997132764 -5.1592711165575285

Zr 4.3765706623200762 -1.0291501066108339 1.3749903488884028

Zr -0.2157187543583172 -0.4249806117429568 5.0509242504337655

Zr -0.1149404677076549 2.6884250177849611 4.0033437229488520

Zr 0.2965156744307380 -1.1923476166438740 -1.8549955807376313

Zr 2.7275160320574319 4.6194240295474609 -3.3992926130809082

Zr -1.9204731210901385 4.7994275818622167 2.6520682286711765
Zr 0.3636101559091596 3.1459946042070146 -4.4631847528508910

Zr -1.9270894961620881 -5.0569750392279751 0.4575830725986357

Zr -4.5551901655521165 -1.4878594753879715 -0.9208120622530721

Zr 2.3582448518237440 -1.5645437708173877 3.8275987157876190

Zr -4.0378685057801329 1.6353738440460055 -0.8738905177927755

Zr -1.9891035807173021 -2.4344030170565998 -3.6648028935371699

Zr 4.0568049375778648 1.5942199368984595 -2.3802043659381273
Zr -3.4207656716938324 -2.6148602379852286 1.9088147283830350

Zr 0.2502710407448132 3.3961879766242231 0.9392745088894096

Zr -0.0604590352857725 -4.2754083580728057 -2.3133474329252253

Zr -1.0988279595497750 2.1129685838723655 -1.8675533718414690

Zr -1.0768439898710744 0.3578605524963289 -4.4551228725064593

Zr -2.7219603286690042 0.4991192041158025 3.5372089086284944

Zr -4.3147407050288793 3.0050760238059904 2.1473525190259308
Zr -1.6965873966401512 -4.6085641104707893 3.3848988259150476

272
Zr 2.5880028119480034 -3.1949720068263336 -0.3451504570559386

Zr 0.2771471388080424 -3.3244529570607910 5.1492184201173750

Zr -0.0563146987774863 5.0267661197284026 -1.9984446581647204

Zr 1.1668874711371389 -4.0669037389313640 2.4485585443928044

Zr 3.7438059584544554 -1.6533323128881645 -2.9919618711386513
Zr -1.7270808559920108 -0.5698623266869628 0.3859810664923785

Zr 3.0034689223642497 2.5732635880378480 -5.2593418064446826

Zr 1.0061956732844599 -1.9689489828068472 -4.6354319939346436

Zr 3.2791185469122794 3.6924464260966672 0.1241168152632423

Pt20 Zr35 configuration: ∆E tot = 5.07 eV

Pt -0.2333092950799061 -1.9096146546348922 -6.4685429540776109
Pt -0.8519135847765971 -4.4342373593399449 -3.0424818115574568

Pt -0.8599429240126288 -0.4579854736424085 -2.5083429545063383

Pt 1.5734540509944135 -0.4944751133225072 2.3453438503092570

Pt -0.0930551180022268 2.0245346489583520 -1.4866957363278517

Pt 3.7244419333414780 0.0920141324320306 0.6315723662555341

Pt -4.5463956081286687 1.0444622689298495 -3.9087885720707392

Pt -0.5293844140657744 -2.1019750866944511 5.3049397103370328
Pt -3.2236702312575436 -2.4535452617563598 2.9069512358437577

Pt -2.7796073553084999 1.5399533369806460 -0.6644081855062951

Pt -3.4094843439572320 -3.2697077334276079 -2.6294695428663659

Pt 1.8908093762906755 2.1966041673224943 0.4746851821617724

Pt -0.9122290878458021 0.5450427206014191 3.0172145091712763

Pt -3.9803082407359089 -2.4024052215429625 -0.0359562697413254

Pt -0.6093696839365212 -0.2332223479255749 0.2939680211016706
Pt -0.3916616510586697 -4.5695998850888051 1.0159308934736031

273
Pt 0.5874934160029111 -4.3398016603373000 3.7723573255556970

Pt 1.2342664654424138 -2.4451868357719055 -2.5922145493679296

Pt 1.2259222540151709 -2.2508945664835798 0.2010182489620092

Pt -4.7065597911757981 0.8666701475324753 3.0601441037672088

Zr 1.0281745202241095 -4.7368259281961533 -1.1842698039999733
Zr -4.1717487221425964 3.0723024620852364 -2.1742552432782305

Zr -1.9587562911256815 1.5136103053327912 -3.8661853724602566

Zr -1.7536411359952955 -2.1561205573179469 -4.2932105233152011

Zr -3.1017644306808880 -0.3679924406399227 1.3451155466086333

Zr -1.4365121354308745 -2.7305422148762224 -0.8087866058015494

Zr 5.0827426063744232 -0.2708644437909829 -1.6043978509063437

Zr 3.1080990233231627 4.4571065779382941 0.8241039810913775
Zr 3.5037213066545232 -1.6397831940836471 -3.6666296552066684

Zr -4.7753381629606997 2.3931446355694455 0.8237051962956001

Zr -0.7471227387994337 4.8594399142350975 2.8123080984612101

Zr 0.9628642311707094 -0.3035698360395276 -4.6841471637990590

Zr 4.2408780324026729 -1.9616950061623715 2.1256148624965703

Zr 3.5132663910178361 1.3529185100332379 -3.7229969198666368

Zr 4.5027625775143596 2.4604067201207620 -1.0272621848427321
Zr -1.3988678389809626 4.1215803572683178 -2.2820296366452113

Zr 3.5812295624204862 0.3170715741372742 3.9659743752679018

Zr 2.2689401546324857 -4.1405152892563839 1.7270116386426024

Zr -2.6315997848655717 -0.5117434314604016 4.5706107884395468

Zr -3.1540086182702258 3.0718510438210167 3.1614446037837864

Zr 0.8591720409309427 -3.6207867978150849 -4.8561387441461985

Zr -3.6745892877995776 -0.5932899260267409 -2.0527183057711569
Zr 1.9204897015731430 0.1290257933539360 -1.5034568973233946

274
Zr 4.5469264790437327 2.2095652302135571 1.9607809038717163

Zr 2.2331368496931954 -2.3757699095850304 4.3366705118849271

Zr -0.5972394402843553 -2.2722260030976846 2.5682729011215542

Zr 2.0866184254453342 3.6720834886443079 -2.0323326886202495

Zr 0.3115539784017040 4.9148471985163162 0.0916538260737778
Zr -2.7894794228466400 4.6224214065781446 0.4882029175091929

Zr 0.8052233743421051 0.1738846703993754 5.1115033946926705

Zr -0.8142880948534104 2.4231691873373942 1.2058130268084368

Zr 0.8112608388737921 2.5301803725667931 -4.1039261171720565

Zr -0.8512030867082818 2.6507078427866766 4.6929884474633017

Zr 3.6568467097223869 -2.7815368111096879 -0.8422494910061347

Zr 1.7227562212380998 2.5713142757308454 3.2059933127313456

Pt20 Zr35 configuration: ∆E tot = 7.77 eV

Pt -4.8469112096381020 0.8622107804151294 -3.4879626369749457

Pt -0.7204108286114713 -5.4652692591691299 0.2565837161253016

Pt 3.4018234283532314 -0.8226663490391349 4.8843788962654440

Pt 0.4677881754594811 -4.7826604150698095 -2.0349439262623759

Pt -4.6926022428172525 0.8894161982516392 -0.1182060087256828
Pt 0.4256278924568793 -2.4503529560611201 -5.3805158460702946

Pt 0.6814885476366700 -0.1529848566212270 4.6483925501679533

Pt 0.5142420865056526 -4.7144293580932946 2.5912849478015674

Pt -2.2968364575781317 -4.5231335027278838 2.2491759952227954

Pt 2.5565914646988466 -3.1201974724645498 -2.2285603767830975

Pt -2.7472954452765572 -3.1001118947551691 -2.6483050255062079

Pt 4.9208159894975072 -1.8346986980113191 -2.1707490350054894
Pt 4.2516827254828575 -1.5977775410081525 0.7710278155486167

275
Pt -4.5172821792331144 -2.0094502103757423 -0.1112051777320217

Pt -3.3908337505794686 -2.4505100130828015 3.5169271230985788

Pt -1.8881515876619741 -0.9418579173287146 -4.2323069293522666

Pt -2.0774516624492714 -0.2507593246119161 4.3494783693838013

Pt 1.4441141642514086 -2.8170045118682725 4.3085487525055992
Pt -5.3266270484615399 1.0483348127809828 2.7246178984466938

Pt 3.0277712343447041 -3.5954644097485544 2.0704675120315970

Zr -0.2279598167403317 2.4986897361318952 4.8139735509333814

Zr 0.1163531682494837 2.9771390703405713 -4.7322229134843541

Zr -0.0036757094941261 5.0126109277452464 -0.0246848343091456

Zr 0.1990705127366910 0.1717998853781649 -5.4495960959125105

Zr 1.6141722849919862 4.1142889853767866 -2.4297995372946315
Zr 1.2251701409347280 3.8779774784907191 2.6075162061662795

Zr -1.4212214563951246 3.9629803470621154 -2.5041629602925508

Zr -1.6731852283739326 4.0919947898884184 2.4235092923397006

Zr -2.5110182423779799 1.7172845446854137 -4.3658130895450471

Zr 2.4127841647281318 1.4499546134578660 -3.8376243695289571

Zr 2.6168313202946996 -1.5621811954294420 -4.3048934105963825

Zr -4.4463664019034974 3.1380653084559653 1.3575161719958815
Zr -4.2320073234516764 2.8581981439136270 -1.8794613529822795

Zr 5.0048731593830729 -0.4947332042240153 2.9746700193292628

Zr 2.6647270462424961 1.5665790558146011 4.0813543105842296

Zr -3.2134776956971729 1.9868195841322074 3.9144246023122933

Zr 4.0374355635202139 2.4145315259134477 -1.5332662332760987

Zr 3.5667389192645436 1.5065723261516848 1.2456283379181587

Zr 5.7223146512557808 0.1694946742064770 -0.5174317712799207
Zr 2.8927754171256259 4.4077737884608759 0.3460916343207131

276
Zr -2.8852466822492540 4.9044440216696366 -0.1895265049240648

Zr 4.9998696025898628 0.3151911538465140 -3.4607360866010066

Zr -0.2395040134833205 -0.7707315050867539 0.2366281191168541

Zr -0.4787546667292812 1.0289809277397846 2.5194499441180356

Zr -0.2755499042232767 0.8718552233127678 -2.5156368883473914
Zr -0.8052834023450767 -2.4803182491968943 2.9461858797321230

Zr -0.1638605642841010 -2.3771044390346066 -2.6792682962964176

Zr 1.0855558881468201 2.1511196413859479 -0.1729635522528993

Zr -1.9729155316574574 2.0204682035904979 -0.0244846311576380

Zr 1.1621904478902880 -3.5926199017815708 0.2620400578865641

Zr -2.1437906388558696 -3.3117602336681062 -0.0593997428952134

Zr 2.0717564026319968 -1.1614259570461021 2.3745915657183319
Zr 2.6629239941480085 -0.5178015783756639 -1.2452648129415178

Zr -3.3416456534275705 -0.5715261714738592 1.7581578073512660

Zr -3.2076230488257176 -0.5452446232451923 -1.8936290300906120

Pt20 Zr35 configuration: ∆E tot = 11.07 eV

Pt 0.4508907590730413 1.4965306742357622 -4.7044285041775353

Pt -3.5016718907509192 -1.6714131770269862 -2.7440476787575605
Pt -1.9566840110484296 2.6753825051527427 -4.1739708177539612

Pt -4.5519622191980096 -3.1427558731653082 -0.5212699705786505

Pt -1.7120807100542439 2.0652054049146980 2.5621735129374814

Pt -4.4854423695923691 -0.2499918963535581 -0.5427490394459298

Pt 2.2412727010072837 3.9912985965609575 -1.0714861061655299

Pt -3.8148316812124738 0.1377303385177041 5.3238027255957308

Pt 1.7883149070015574 4.4315020614974880 3.0082068521061887
Pt 2.6887010172194374 2.1435209755310236 -3.2632042016373859

277
Pt -3.9191381820364262 1.4773411446847629 -2.4971132850013120

Pt -1.8726741939482341 0.2605063362960803 -5.8972548586585827

Pt -5.5095799261813516 -1.3595960127938245 1.5979351205957686

Pt -3.1649027641666470 -2.4971060034199102 2.1082033641103024

Pt 3.4005264192094211 3.0852846739613735 1.2306356545104862
Pt -4.2156495137844621 2.6787148801840228 1.8935820809742312

Pt -0.2440416697517723 5.1190680875445054 -0.8440608090708039

Pt -2.5329909490749349 3.8761286068239995 -1.8579541063212375

Pt -2.1758987143684925 4.2459725238322701 0.8763004663821974

Pt 0.7986772795741724 1.8798803189479738 3.4999329956471046

Zr 2.4070233603608182 0.3095275664459676 2.0250229223026439

Zr 1.9449698232380623 -4.2073309233807752 -2.0455430777790227
Zr -0.4934322336482129 -4.5659976515938840 -0.5468336895900663

Zr 4.3336510251847296 0.1507711069520977 -3.4523128640799357

Zr 4.6606784469388396 -1.7103674311387724 1.3220173267339463

Zr 5.3666286000533825 1.3132554100594032 1.6465878773545981

Zr 0.0977828698822175 -2.0454869657967354 5.0523269896376704

Zr 1.9624489480178167 -0.0322916190822954 5.1028891739915183

Zr 5.6471774204184095 0.0980283449526294 -0.8504272334516756
Zr -0.4347098833707779 -2.7115822232667686 -3.1141630248334238

Zr 0.3474405243172722 -1.0127834038812100 -5.5236224582343976

Zr 2.7313537120295388 1.2523536789591301 -0.7417039667484389

Zr -0.4604739185122131 -3.5444791094863692 2.1819953904278080

Zr -2.5594281613265428 -2.1266316035080397 -5.0872146562118630

Zr -1.6997911268264321 0.3046585905726059 -3.1547543142275387

Zr -0.6028538742052153 -0.5972698400032730 2.5286533797808532
Zr -0.0693535864655307 2.9043855305930517 -2.2354688494173658

278
Zr 1.1622526372639694 -1.9630413119473449 0.0350895901103243

Zr -2.5505796680928432 -2.0473348252761614 4.5460445137427472

Zr -2.7421910420314424 1.8560905963869230 -0.2096003625159071

Zr -2.9171347138328150 -4.2558233817495736 -2.2622322531514598

Zr 4.8200546325520515 2.9320304011388796 -1.2265433431419339
Zr 0.3911806281697576 3.4359108668179399 1.0205093498878526

Zr -3.8427851236836039 0.2564318102686141 2.6534890219486487

Zr 4.5010845251692269 -0.2991987294224234 3.8994672592072037

Zr 2.8740329980711232 -4.0989559659271411 0.5911130935476834

Zr -1.2582079090355538 0.7712257117954548 5.0019050077144769

Zr -2.1745499796777557 -1.7426078085358174 -0.2938849425282157

Zr 2.6250180122714761 -2.5822209172942596 -4.1320904803180767
Zr 1.4026623461622816 -0.3137962479546079 -2.8214165010376675

Zr -3.0366404258971960 -4.7470272656983727 0.8137679102009727

Zr 2.4108648421831669 -2.4862962141091973 3.2252233599978171

Zr 4.0949014437438729 -2.2102469082254945 -1.5968158716620948

Zr -0.0664992661033413 0.5445621576553092 -0.2269838158846866

Zr 3.4165898287653187 2.5283344087547359 3.8922761429360024

Pt20 Zr35 configuration: ∆E tot = 12.41 eV

Pt 1.9557558165002757 -3.5426195953660864 -4.6647574636348752

Pt 3.8493962056061322 1.1127383219400027 2.0107740976341248

Pt -1.9569052138797853 -2.3433990865510816 5.1803902156476438

Pt 2.6683739235348489 -0.6125877639839594 -4.3787942536669915

Pt 4.3458435001895275 -1.4074361583687207 0.8058341708169647

Pt 0.6282566730793212 1.0959723138666539 5.0972245863013494
Pt -1.0291087019311713 2.9368802658717916 4.3091057326826148

279
Pt 3.0402982220394983 -1.2257939927079431 3.2453250383756385

Pt 4.2813183942753943 1.1253170293455070 -2.7716474072977593

Pt 2.0850881333534450 2.8223548805303880 3.5093517605435278

Pt 0.2049294267767850 3.8987291243365130 1.9594574082330343

Pt 0.5522083733750748 -4.7947112694200191 -1.2857406544422194
Pt -2.9774557368532970 -4.7464774773872032 2.9247672296878311

Pt 3.0749800111732495 -3.7895181030110470 -0.8159386456714828

Pt 4.7743781365189948 2.3216684825127816 -0.4502923807289634

Pt 0.5717499519437746 -1.4535425601329817 4.5162687070340635

Pt 1.5972708804243720 -3.6229865064720768 3.4632343563879995

Pt 0.5568618674273781 -4.9326539096284820 1.4549258377329124

Pt 4.0374066136091473 -1.4351377374285079 -1.9178643958488124
Pt 2.6272780893396059 3.3303916440586496 0.7392934166377960

Zr -0.9368341906896619 -2.9338137380020877 2.6730276621617919

Zr -4.6165689247997035 1.1244072986158897 2.5389876142881014

Zr -1.7482212019799888 -1.6899541881437525 -3.4275874203883379

Zr 2.8490783607548651 3.3397186489624024 -2.0181369202645665

Zr -1.8843300258178881 5.1401523202376600 2.9103530566940434

Zr 0.6333371546768097 3.3282268181164163 -4.5388157085992207
Zr -1.6513073133797529 -5.5548717181052334 0.4564319132511716

Zr -3.9583625802235853 -1.6125023398946177 -1.4607834226362038

Zr -4.1172170318972467 2.0446955821162733 -0.3060396546265126

Zr -1.1222862172641608 -2.8456107375573234 -0.6280730650904485

Zr 0.8198932934315787 0.8008310094444127 -3.0465066045335916

Zr -0.2948133487664387 -4.3161684592361160 -3.6845230473511648

Zr -3.7848427234495960 -3.5446573437208668 0.6702729340198299
Zr -1.9673257408261189 4.6655381504243216 -0.1439178233007373

280
Zr -3.8866245531201424 -2.2880559471748159 3.5912137665318613

Zr 1.6091037720086629 -2.2577960757316360 -2.2818713021888590

Zr -1.9034834598527648 3.1400378403204146 -2.9166675892344585

Zr -2.0857855723958738 0.6320368169763000 -1.6389635093456516

Zr -1.4623290596131890 1.0203823905454097 -4.9611718764827097
Zr 2.0073483748162544 -2.4722381193173506 1.1215156419700525

Zr -1.7622545587662404 0.1370185217626385 4.1646059305266405

Zr -3.0355938037492041 -4.2737363127052541 -2.1590352597323679

Zr -4.2967755145857902 4.0078140168634731 1.7220826064838410

Zr 1.2894102893178379 0.5715712037159111 2.6041315881427152

Zr 2.9156366057815215 0.4296276840573012 -0.3753045720230486

Zr 0.2491819141339674 2.6070818431696576 -0.6141993273133217
Zr -0.0006827285259806 5.1175789242169474 -2.3315759297655148

Zr 1.1552084000561389 5.4625979974705166 0.1781051024856139

Zr -3.5685851844375303 3.0174128434576923 4.3743308666305891

Zr -1.9479070878961138 2.1844959099738803 1.7894409910532001

Zr 1.0201845343149505 0.9764621016326467 -6.3096889776957967

Zr -2.8555658152175822 -0.7330927488989236 1.2829609608319366

Zr 3.2214738151709281 1.9927837571843365 -4.8985673809063295
Zr 0.2881610157067677 -1.5839757864131319 -5.3282364827288982

Zr -0.0582454594182996 -0.3711860663675612 0.0612878827119558

Pt20 Zr35 configuration: ∆E tot = 18.19 eV

Pt -0.5604976995989556 4.3369432910366825 0.1192458282225906

Pt -0.8733758125358132 2.5017851739622228 -1.8273822303814151

Pt 1.5354338543856434 3.6841730530285344 -2.7454067532927247
Pt -3.2460742884938449 5.0254555281904416 0.5244002389877827

281
Pt 0.1061738550828880 2.7676587302337405 -4.9532707434571943

Pt -2.0542960970468025 1.3694268556136036 -4.0000680663119805

Pt -3.7379468333033410 2.5980904093714270 -1.1630198466520321

Pt 0.0617822400457743 -0.1260620368121226 0.0458095117662219

Pt 0.1496727770862679 1.4895162248467455 2.4324931266371688
Pt 1.2262623863969697 0.9072037529882138 -2.6442307402333376

Pt 0.3354179179660822 -1.4007037804407718 2.5241493488578777

Pt -0.1058044730905873 -1.5009548912309969 -2.4575731731154469

Pt 1.4266735846532033 2.2588080962987145 -0.0069761673440049

Pt -2.0033291397081152 1.9711136543873591 0.8269728721908953

Pt 1.2017365888453915 -2.6677739544705834 0.0798555288958076

Pt -1.6535831537663066 -2.4563571712854970 -0.3647222466495188
Pt 2.5174542466347152 0.2316291154890064 1.7072653268835574

Pt 2.7002859298550010 -0.5347577081800454 -0.9804484531555155

Pt -2.2302389356994476 -0.5866251002564058 1.7188569934487126

Pt -2.2446338736141351 0.0895942171451380 -1.4788711798635015

Zr 0.0884544042386340 -2.9992980460331684 4.8309559976898573

Zr 0.0225142344872341 -2.8836226905370315 -4.9516516384871192

Zr 1.8598996191888109 4.8434926946620820 -0.4983782061496365
Zr 2.9441475070080960 -4.8411705566153316 -0.0207318021831904

Zr 4.4773228526454449 0.1932353196259055 -3.0191156154426557

Zr -4.3553225891139977 0.9179718137577948 -2.9727776221189237

Zr -0.1245214603944201 3.0426421738095040 4.8108298022004465

Zr -4.7521390009217175 0.1121691277770124 2.9210378225505047

Zr -3.1244483794256448 -4.7453736646478362 -0.1263476258938405

Zr 4.8836614664017457 0.1768102620709510 2.9704515125410631
Zr -0.1377273702499916 -5.0190012495589187 -0.1013953536051824

282
Zr -4.5191878655931550 0.2165929895719569 0.0885452626512395

Zr 5.0144926277804966 0.2152864109889447 0.0319411958664795

Zr 0.0188308110770680 0.1367657511912694 -5.0860176792993865

Zr 0.0747688120819719 -0.0096131782101952 4.8757478175484881

Zr 1.5471264294093903 -3.9662952380864387 2.4525118407414221
Zr -1.4492541171891284 -3.6034624293927142 2.2279443949800730

Zr 1.4351626625262401 -3.9242144421843865 -2.4178684204714336

Zr -1.6024839917914742 -3.9994744307895123 -2.6146366101579992

Zr 4.1212629576700142 -2.5881590965896000 -1.6512495435814978

Zr 3.8083259770074838 -2.2643922958851523 1.3378256196779879

Zr -4.0647085128753151 -2.1320729148030684 -1.6540731046726316

Zr -4.1221194877222747 -2.4389256859760100 1.4032246164484425
Zr -1.7222555340762833 4.2082564894452688 2.4908439085397327

Zr 1.3190948755235485 3.9348885834833776 2.4068756617638933

Zr -4.3545696561197946 2.9342144787839923 1.4949406721741687

Zr 2.5390775797215515 1.9691800433680056 -4.5958043257957524

Zr -2.3682601751584693 -1.3757983664275388 -3.9298410166461912

Zr 2.3337185638716837 -1.4269208042520563 -3.8640485001837255

Zr -2.4720593214066193 -1.5208475041809424 4.1659459232657969
Zr 2.6027177316372008 -1.4418557489596469 4.0545795446295889

Zr 2.4720593929026213 1.6820525312502965 4.0753210471570060

Zr -2.3887935491945891 1.5165648988792737 3.6792659021334253

Zr 3.6451333755883883 2.4477859561984059 -1.5874769192288178

Zr 3.7989660563706611 2.6744253583501103 1.4155462659244498

Pt28 Zr27 configuration: ∆E tot = 0.00 eV

Pt -0.2298163707178181 -0.2469771460718586 -0.5708584516618208

283
Pt 3.3105915254121308 2.4602199992815907 -0.3188846652368552

Pt -1.5562245849198919 2.2175421472740129 -0.7988201844903268

Pt 1.1561566784552615 -2.7111532481251079 -0.4507748999007989

Pt -1.8529487274389118 -2.5060415578360691 0.0289455118386263

Pt 1.8860509905686427 -0.6927772603885483 1.2856126145194557
Pt -2.8139206419273548 0.5167239702729198 0.9696184580940480

Pt -4.7509357187929409 0.8279152905068436 -3.0525605278130254

Pt 0.3444851391562983 3.5696940230884286 2.8330239307536735

Pt -0.3227789392843897 -0.6459547860385590 4.9406145786600648

Pt 1.0596464329357214 -3.3107424597661876 -4.5619830680940892

Pt -4.6595508817298077 3.8475523439660146 1.3565786144342540

Pt 4.6004379775996362 -4.3856337970059078 -1.0585564406611749
Pt 4.7118304867868499 -1.3015977064661655 2.8466779744626360

Pt 4.2190451021655182 -0.9806062789802847 -3.2272966426176191

Pt -5.1692421148991068 -1.5819978315314127 -1.3689214198370867

Pt -5.4392501843281567 -0.7679312326923255 3.4289976767849901

Pt -1.1943196117489001 -4.6219592645347669 -3.0774265037934883

Pt 4.7652066766571641 -0.5039556117033033 0.1365500666724792

Pt -0.9940927488763703 -0.0314717769184145 -4.5592233802885280
Pt 2.8513646830980233 1.5478871572996831 -3.1495523643119356

Pt 3.1006018518997522 3.2409004115556148 3.6499182304137601

Pt 1.3128306160060608 1.0056531255944157 3.3863571952108606

Pt 0.1511150195170773 4.6113312927623511 0.1675831977236703

Pt -0.3999312933959919 3.8199366416919900 -3.8768125636552004

Pt 0.9400521197274255 -3.2510039724908375 2.4039917549672736

Pt -2.1919786125441383 -3.0639492997183582 2.7246646213983818
Pt -1.8647058156808689 1.4016907652179660 3.4872048629288410

284
Zr -2.6606355979802898 2.1836676433000810 -3.8020367449673587

Zr -0.1491251040488114 2.1596386543122894 5.2229670540181852

Zr -0.4348512683988298 -3.2059468013181172 4.6338523177733029

Zr -2.9631296310433419 -1.0025975023470408 4.2529262775866128

Zr 2.4471820485915177 -0.3168226909208804 -1.3499143877583681
Zr -2.8289750823074864 -0.2697168583495511 -1.6323431294831292

Zr 1.6602801309403579 3.9087864092649363 -1.8928567253207675

Zr -0.5228696964494736 -4.6233467607473893 -0.5971615584272728

Zr 2.5984128259486545 4.4100626346370362 1.4892496450407813

Zr 2.7120142649511485 -3.2349701620836186 -2.5735552220961737

Zr 5.7619032303601019 -2.1733578473390822 -1.5603336506331069

Zr 3.4927312842913776 -2.8923865685834138 0.9015394952753238
Zr -3.2867926288795046 -3.2512252371277914 -2.1112247741460135

Zr -4.2194565273121851 -1.6693175961172571 1.1314548258548744

Zr -1.7060922431629009 4.5830925136439697 -1.7751133430382535

Zr -2.0541283841572890 3.5056476696281282 1.6033233759513910

Zr -3.2537441887302392 -1.2577519408971465 -4.3686496076976029

Zr 0.8052843466793421 1.9204553832751119 0.7457806836338289

Zr 0.1648738022263313 1.4302851741264011 -2.7851779366010434
Zr -0.6433037992317144 -0.9635704064919774 2.1930017173947411

Zr -0.4449239915059037 -2.0532796001788669 -2.7797834737826865

Zr 1.8108511560901861 -0.7173696457151510 -4.6553509636838646

Zr -4.4224633721766233 1.5340214929269547 2.6836412604687676

Zr -4.1331194077001365 2.5052388388664286 -0.8431162888127114

Zr 2.3063872304361319 -1.4383435307347241 3.8584640995598938

Zr 5.2287155635154656 1.2398971240604031 -1.7466316457870392
Zr 3.7652559853532002 1.2259156726665463 2.1823805231766271

285
 Pt28 Zr27 configuration: ∆E tot = 1.91 eV
Pt -4.9252769084738519 2.0185188275403672 2.7511984066281285

Pt -2.3045964291336909 -0.4303323587983518 4.4649206529177476

Pt 3.9482203148532462 -2.0269412493920305 1.9181939292551626
Pt -0.0576964664489529 3.0556185798535118 5.3530273661111849

Pt -1.7912413932076319 -2.2056206532949423 -3.5268326647377743

Pt 2.1442089900821482 4.3087085519271504 -1.8445085070639631

Pt -1.3201440667036344 -4.1148200872018235 1.7542205720651016

Pt 1.3169616435027820 -1.4156081945469081 2.9246061116796942

Pt -3.7981390412940326 0.7600487367200676 -2.0268983568909209

Pt -2.0055389274870170 -2.6453327973482947 -0.6976734217101419
Pt 1.4541162525794642 0.7483728665356298 -1.9592611186707063

Pt 1.8156512818669530 -4.8739816646054726 -2.4238128081959611

Pt -0.4035789456983571 0.1746483043744088 -3.8713572408753900

Pt 0.5733075744804980 -2.4784662599180622 0.4130998295533126

Pt -3.1382777095863195 4.2647350830682047 2.1727444583478719

Pt -3.1946689969818434 -2.8662938792985182 3.4323179540658439

Pt 1.8389058168184012 2.4302495079305242 2.3372007763015410
Pt -2.1409593239959013 4.3448735605690993 -0.3906296430945377

Pt 0.3403652873590518 5.4192859552833132 0.4863675457172181

Pt -0.7602766655325462 1.4745240506406807 1.6929505774940918

Pt 3.5670745267829189 -1.1081494536535539 -1.8657616749003103

Pt 1.3384658436474990 1.0669479335933412 -5.9460816259862703

Pt -3.7662249762310798 -0.7648341362257874 0.3638342922594622

Pt 3.8008641812385879 -4.6556447855710870 1.8607490137035723
Pt -2.0731626135750578 4.5902643166568113 4.6868912723694223

286
Pt 1.9360710386455235 -5.8442056433558429 0.1750832395267463

Pt 4.0279388287684625 1.7175105130634121 0.9111526608035603

Pt -1.5788336139867212 2.4428203857251702 -5.0452951316151449

Zr 0.7646820637679811 -1.9069565174696192 -2.2824790211606891

Zr 1.7919534453911095 -0.0059387024449106 0.6008484600875295
Zr 0.1338856174477344 2.8998250539694510 -0.5268623537467056

Zr -1.3237631284042812 0.1102658168954519 -1.1646116551872381

Zr 2.9704744341287070 -2.9868811844273759 -3.8945442667246790

Zr 3.4161696240650552 0.2627443998045696 3.2573702213623235

Zr -1.4104892233074373 -1.2836714983500714 2.0143380393749308

Zr 2.9842047209386302 0.1007242535230751 -4.2525628659448866

Zr 0.3121063383389829 0.6927860514473930 4.1826308219122872
Zr -0.4211583068188537 4.0639929886238040 2.6355031082551830

Zr -4.0866962719327153 -1.9633506176008089 -2.1304770541626321

Zr -0.0334703235080915 -4.1149788627815314 -4.1519642754107444

Zr 3.5994310536176104 2.1105646695109606 -1.5924078025623039

Zr -3.8540103446026266 -3.3746618334809666 1.0108064759327235

Zr 2.3696788190650380 2.8360793577855459 4.7916292947754364

Zr 2.6674097930738703 4.3090673948441793 0.7890836347910679
Zr -3.1568539516953362 2.0475619861523588 0.6360737300993073

Zr -4.4553551732981065 -0.5146178710497996 2.8277811763692031

Zr -2.2684564603824868 2.8961522499524817 -2.5620416958704317

Zr -2.9276613930477677 0.1614716799889129 -4.4079589998192432

Zr -2.6205497013890864 2.1657041364264762 3.9082446493289429

Zr -0.2797719758492955 -4.7524178035401254 -0.7328886776949761

Zr 2.9816249158571746 -3.3605281291010085 -0.3829850953546656
Zr 5.0658914763587708 -0.5619957714095446 0.1823952313921269

287
Zr 1.3064921386133286 -4.1764174861830723 2.3101778102438817

Zr 0.8179599854097862 2.6000578544029320 -3.7213916361475330

Zr 0.8127363258734087 -1.6414776257597810 -5.4441537191967591

Pt28 Zr27 configuration: ∆E tot = 2.63 eV

Pt -1.1114106153287902 -4.0789462570067956 0.1020529117855740

Pt -2.5163511127995513 1.8427808754793304 -5.1798895677987309

Pt 1.3785067983324131 -3.8831018766756427 2.0664574670335125

Pt -3.0492976905348392 -2.5508785375728178 -3.2855714132701821

Pt -1.9217861395120475 -3.0896591193115808 5.0691188550044410

Pt -4.2850570187912886 -1.8126622740526741 2.0679142548132856

Pt -4.3501313036347220 3.5137289727847549 1.5937691956933231
Pt -0.4773797576257233 4.2847496398237093 4.1639098015356915

Pt 0.3081842676621169 -0.5766677291984947 -4.2923273420097905

Pt 5.1885295759995564 -0.6157032904974826 1.2787215140010739

Pt 4.9867929532639472 0.8006127019026608 -3.3999820530255449

Pt 4.6474665939240971 3.7783660724637786 -1.4501024638816407

Pt -5.5808757505940854 -1.0441814619922993 -0.1603826802065586

Pt -1.4423535178012197 -0.3411071199212656 5.3477276772406492
Pt -3.8613867436183078 1.3866401182007240 3.7613794901224762

Pt 2.3770525028336955 -2.8097900593274869 -1.3395435402704752

Pt -4.0213502157544632 0.6608168943628885 -1.6046061157491553

Pt 2.3924966776985466 1.0625750279719555 -5.1860644303724177

Pt 5.2748782755224433 3.0500366707878004 1.3148659183820082

Pt -3.8736288802569980 -4.0759651101318370 0.4267189716901581

Pt 2.5940236239326318 -1.2714210739387013 2.4501970379784663
Pt 0.0794117564079817 3.2436129824026882 0.5518431979584871

288
Pt -2.4750867008272586 3.8102763265379243 -0.4282588294682827

Pt 2.0231621267323598 0.4000924496007274 4.5357747919495717

Pt 1.4703189063869819 4.4261478982035767 -4.1090470836652377

Pt -0.1543062485886788 -4.8960636716192782 -2.9117443005475736

Pt 4.7937623491581016 -1.3707284188376334 -1.5169222853152664
Pt 1.7393034114830390 3.1873569981006615 2.8931789456091335

Zr -0.8855793478584781 -2.9769974932037724 -4.6423241661953432

Zr 1.2428234048749152 -4.9053027128190836 -0.3823427140832140

Zr -2.1449709510434865 -0.0689692915130890 -3.4062895025183395

Zr -2.8293610865046013 2.8552867316182176 -2.7824743690076077

Zr 0.0047991209860932 2.2280193936521289 -4.4753299698494322

Zr -4.4864754321013685 0.9258695805518855 1.2304326107338366
Zr 0.2405469015297974 -1.7995574159485173 0.8385928777888830

Zr 0.6496402666257415 0.9463983149266328 -1.6850262335003581

Zr 2.8427302138806603 -0.1522001983472492 -0.1437623314911238

Zr 5.3725385269309562 1.2951656713050925 -0.7273019251720060

Zr 2.7648223117255419 2.9478392623922294 0.2483733908073956

Zr 2.8276814941104398 -0.7777734604469984 -3.2802554084824949

Zr -1.7337598324468753 1.1866490023813399 -0.2287937256443714
Zr -2.5658773103489203 -4.7202540254649437 -1.9461424128455096

Zr -0.0025961281697813 3.9352533077254850 -1.9663281452593455

Zr 0.8276703702711676 0.9449588323896692 1.8841316737322782

Zr -1.8581466048120741 -0.1136927732074937 2.5854817351991097

Zr 3.8600419628296585 1.2890808916462320 2.6118068368169385

Zr 3.7276275327936936 -3.0092545551522005 0.8955448029589771

Zr -3.0597366002918385 -1.7633775397414879 -0.5491258102102196
Zr -2.1468913782992978 -3.3421673449835692 2.5237404912412669

289
Zr 0.3401321433358395 -1.8198230028833009 3.9606441842576712

Zr 2.9528771754500021 2.4760062047016151 -2.9683245454169680

Zr -1.9577731086183088 3.0468717180672873 2.4367332733677469

Zr -0.1026287102245045 1.8307780242549898 4.7255321230849825

Zr -0.1517642024641044 -2.2712696608733052 -2.0358344176868770
Zr -3.8618588558307998 -1.2184550895669772 4.5194537521571272

Pt28 Zr27 configuration: ∆E tot = 3.59 eV

Pt -3.0062453821407380 -1.1415468605907071 -5.3884549937394874

Pt 1.3156666235545988 -4.1968597591168280 -0.1492458842968008

Pt -1.1811284459204656 1.2135345484622855 -2.7565914481984963

Pt -3.8858897379605835 1.5378767491459646 -3.4894716105854640
Pt 0.7774161395381535 0.5563928908079765 -5.7259973522582088

Pt -4.8390033329092184 0.5903277078496698 1.6746530667577391

Pt 0.7660716255500212 -0.6195804920092760 2.1079817065677036

Pt 1.1374048249890722 1.1340997899285137 -1.5069136632589766

Pt 2.8015212013159787 0.8394247738148026 0.6741531741714839

Pt 6.2199181287524512 0.9966402226263673 -0.7772966464743556

Pt 2.4784785933848323 3.8274497823674221 1.4609873577498558
Pt 4.1471140168471408 -1.0126962202892438 -1.9427721103542135

Pt -3.0327429857917099 1.4755646379296676 -0.6207656281322214

Pt -3.6229496390078775 -3.4514502658647865 -1.3116432108149381

Pt -0.0071272901356952 4.8187096381457248 -3.0783040560067443

Pt 0.3104027646236091 1.8788834011156288 1.1893577767816215

Pt -1.7319166871191469 -1.8122291143201048 1.9713379796757007

Pt 4.9502405922346835 0.5048768390379470 3.2228486279539599
Pt 3.4427166692030098 -2.9802890017246861 1.3500233547107774

290
Pt -1.0634926671134521 -0.4167084432899050 -0.2569734613872994

Pt -1.1455940373497415 -5.0910044579415317 1.6002716892133408

Pt 1.2554935518942902 -2.4017698748937581 5.0970567211203361

Pt 2.8235457127664643 4.1996710816606004 -2.5484562788716998

Pt -1.7013832397762036 3.6613223273774782 0.5482377572510329
Pt -0.1247699161761130 1.5482033359653249 4.1089919670657382

Pt -1.5418089422473993 -3.5282434113414345 -3.2594166948900556

Pt 0.1142971644977017 -1.3625438859061854 -2.5205695923369111

Pt -3.0818744045740583 -2.2820839883108670 5.5500489020099204

Zr -1.1465624872392506 -3.2096206793986335 -0.4708373430232103

Zr -1.8723877037585299 1.1838908702711421 -5.2267517723001840

Zr 0.6771517256817784 -3.3174244477159958 2.4708017943698080
Zr -2.8726137577673447 -0.9827819706695129 -2.7370664368461552

Zr -2.1061217806934560 -4.0125286556231696 3.8597945364691411

Zr -4.1437061264296506 -1.6880569913273957 3.1995529601790444

Zr -4.2223686211545424 3.1243986593835453 0.9156553306292263

Zr -0.0382368807715473 3.9229975991424517 2.6519313821125445

Zr -0.5117329492144759 -1.7502028077365308 -5.0609629002549186

Zr 4.9293552801884317 -0.6757681412523899 0.7738038434747088
Zr 3.8047985959973372 1.7937627988881601 -1.6768916128011968

Zr 4.0266401605981068 4.7368614772476434 -0.3364292442496213

Zr -3.8358099051996564 -1.2789688528290624 0.1681165781954847

Zr -0.9638816573616517 -1.1205392348779482 4.4602867788716063

Zr -2.1059011492360962 1.0305988638248387 2.0581412142794493

Zr 1.0807378581675784 -3.6897458723735541 -2.7953773384930054

Zr -5.3315038428611654 0.8890465677173891 -1.4286392914346981
Zr 2.2640559408174981 -0.4809182418351278 -3.6717124258691873

291
Zr 5.0372669501193501 2.3885380408838133 1.1345550293405902

Zr -3.6734687779272526 -4.0878666987058008 1.3724097864276033

Zr 3.0257525108174108 -1.3594132807448505 3.3724548687904736

Zr 0.8325157704384093 3.7658569313185639 -0.7253482571640886

Zr -2.2218450126820968 3.5395747610035579 -2.2220114897892822
Zr 1.5219081988231600 0.2002162732785742 5.6671975121024323

Zr 0.9295451545769570 2.4823536377479885 -3.8194707799799792

Zr 1.9248193620628169 -1.5515778959718043 -0.3429004175003377

Zr 2.4172322430782782 1.6613453397180464 3.1866202450404044

Pt28 Zr27 configuration: ∆E tot = 5.31 eV

Pt 3.4032064751316335 -4.1397527099873273 -2.9138249124908331
Pt 3.9241854776143379 0.9465948516446829 1.9135089723130303

Pt -1.6135894782722806 -2.1166260455980463 4.9215568978792783

Pt 2.8211871834926621 -0.4099426289661992 -4.5619279101281851

Pt 4.3542452907747071 -1.9043177339668418 1.6594864368231095

Pt 0.0779206195415947 -0.1172368749807546 4.1247935777251481

Pt -0.6572112557714780 2.3974726570567455 3.3523272500723431

Pt 0.7000664915466865 2.2743672898383593 -0.5872730585657511
Pt -1.8734842462826071 4.5431432289324576 1.8789406330583969

Pt -1.8574675828203402 -5.4699534218104517 1.0700625784293205

Pt -0.5299807929002958 -3.7047259619273163 -3.2927706593235886

Pt 2.2911446448867361 1.5152424039219241 4.2738821476343185

Pt 2.6580336899710284 3.5278345626941032 2.2769655453582853

Pt 1.2698878141489383 -4.6122837370143301 -1.2238578512818155

Pt -3.9468010931516977 0.3836263007060907 -2.9041625904025015
Pt -1.4555117408360791 1.0784809771050492 -4.7510157614673236

292
Pt -3.6802572909769031 -2.9035063567980259 -1.5122992470952514

Pt -4.4968025734587007 4.0085239884553276 0.7886786353335591

Pt 5.3580078016209365 1.2318194505336679 -0.7374047713343490

Pt 0.8248240565911766 -3.0026054391934380 3.4743317016468120

Pt -0.1633645636235377 4.0345373177529824 -2.6083283446869761
Pt -0.0352747750985207 6.0649512157955074 -0.9124441186825667

Pt -3.5705255922683312 2.8625142810143203 3.3331302839013199

Pt 4.2477093757186077 -1.5074259854123611 -2.4432631897544130

Pt 2.0619145859001202 2.3350014654705875 -5.2582241698457786

Pt -3.9036683902371641 -0.7809679010282693 2.2661863207386626

Pt 2.4725311467421927 3.0832668666081773 -2.6384884882332873

Pt 0.1368431574556946 -1.3359273878015401 -4.8343830575930671
Zr -1.2103122053363284 -1.5061740504550798 2.1278610189347145

Zr -5.0959713000821756 1.4756491136209675 1.8347383359001208

Zr -1.7743702676190827 -1.3320146869685558 -3.0333272751943188

Zr -0.2089905043167794 3.3745230858050164 -4.9926280087377002

Zr -3.3420838137504978 -0.5209102527826062 -0.3796578585069544

Zr 2.7280325808472918 -0.9290852962133940 3.5987815936521255

Zr -4.5183147041589740 2.3340104400587975 -1.0827232691084934
Zr -1.1518944653373131 -3.3592774905652263 -0.6595334657642358

Zr 0.8521852405175929 0.8905963547442513 -3.3643776029549546

Zr 4.2336244538766374 1.2125529835666171 -3.0633552907876780

Zr -3.6321220822234244 -3.3611488623901309 1.2971216570873079

Zr -2.2816770640643034 4.6794373952849142 -0.6901172175845947

Zr -4.0389065261224522 -2.4443866383365602 4.2314879380974242

Zr 1.5692294177605897 -2.1897753536440732 -2.6487423371044603
Zr -1.8277905130332845 1.9340102840215891 -2.2287158044531399

293
Zr 1.3831783572961109 -2.2218772336047081 0.7703544555423658

Zr -2.6074449933307227 0.5674352870330850 4.1750194451466394

Zr -1.6932520550022963 -4.2743028720672882 3.4267145633046505

Zr 1.1873204629465528 1.1773206869574793 1.8670318475631769

Zr 3.6547421637711688 -3.5926812447232450 -0.4149666690255405
Zr 3.2129503624893738 -0.3143166531221127 -0.3707877073142019

Zr 3.2461661376401532 -3.8911767293730790 2.8638225464011464

Zr 0.5394852647046884 4.4022723638225116 0.9997618610136154

Zr -2.0747070109124541 1.9787844520984423 1.0517728166486302

Zr 0.8011989244726516 -4.9269243912281908 1.3014235189205090

Zr -0.1927925181027552 -0.3158505129930163 -0.6125558108858460

Zr 3.4247482216309146 2.8712051484085110 -0.1585861308182022

Pt28 Zr27 configuration: ∆E tot = 8.37 eV

Pt 0.5056337556264314 0.0442634280229987 0.3301590261670616

Pt 0.7225054411146836 1.8447075902686048 2.4232162506265098

Pt 1.0561408800080667 1.7804151574968512 -2.9077203371035383

Pt -0.0900973785611716 -1.0011610616118261 2.8869885920582350

Pt 0.4685120967506367 -0.8354522159715674 -2.3107638302662048
Pt 1.5620652859389319 2.8680702034997965 -0.1876037929318981

Pt -0.9550665654812087 2.0991370830354215 -0.9558509053525315

Pt -0.0331560916456615 -2.7544187478632778 -0.3282325508363337

Pt -2.3060847381070602 -1.9152034445459036 1.2568305894119360

Pt 2.0760976165784779 -2.0285981799035944 1.4542663298212410

Pt 2.7465336826691260 0.5121346825538642 -1.0555092651914046

Pt -1.8670552056526437 1.1165083648712684 1.5569495800383963
Pt -1.8768871874935049 -0.4161932741100514 -1.0557051937112503

294
Pt -5.3895069685270798 -0.5954470534214571 -1.5124137460678861

Pt -1.7632944821327088 2.0892736268079219 5.4246166389019717

Pt 0.8290809510901023 -1.4874951041938451 6.3399051911265758

Pt 0.4230880709178584 -1.9688519190523759 -5.3236660195431416

Pt -3.2450829253624036 4.2927269125698357 -1.8981162606582389
Pt 2.3556473044654354 -4.8384691621207496 -1.8026811263173075

Pt -5.2484987501202216 -0.3813588505291761 3.2449564404933477

Pt -2.0091021247919407 -4.7039512781400967 -1.8076003705929127

Pt 5.3927362048768064 1.9117733567690309 0.1117698997636714

Pt -2.1862497726310135 -4.5942113269935598 3.5798967933541803

Pt -2.4673792851199625 1.4236757244980676 -4.5792129925918310

Pt 4.2199612443099346 1.5534966908572367 -4.0388378132187590
Pt 1.4610673619695265 4.5470362178187758 -2.4974636318503878

Pt 0.6923949277669978 4.5990857513472010 1.8495261634719489

Pt 2.8773049026910495 0.4766272669327276 3.3156161013907450

Zr -0.8393992605788634 4.6381504043925235 -0.3086871177190895

Zr 0.1779499720099109 -5.4086141583849434 -0.4686247682342221

Zr 0.0295111825067578 0.6802908644741223 -5.0673760996974178

Zr 0.1208119297560242 -3.9194361864200373 2.2027074547630585
Zr 2.1518695281390219 3.2184944606389458 -4.6657934390736528

Zr 2.2121072121522785 5.3959969092732782 -0.1177464435376842

Zr -2.5041505847512315 -4.5362127054462436 0.8241025035493088

Zr 4.1090516583178607 -0.2711711186589870 1.1190309576876531

Zr 5.1030696996793186 0.0950302320555462 -1.9924631990909978

Zr -4.2735560772062513 -0.0317775167324697 0.7898604042988682

Zr 0.4276651535621687 0.7104901749212069 4.8488280147456742
Zr 0.2703310967058636 -3.4037721710658047 -3.0059264597521702

295
Zr 2.7650242565145957 -2.2346681823790973 -1.2883753508341025

Zr 2.7854288003869891 -4.4034293562520324 0.8579914413441712

Zr -3.4278182543227533 -2.4147228754159982 -1.3813126109678047

Zr -3.9110985496239508 -2.6576227892845714 3.0731592486813009

Zr -1.1166193352435820 3.3776081368980049 -3.2771676819879838
Zr -1.2849992022276771 3.2664226083021455 3.0928911045086886

Zr -1.8060162720313302 -1.0880576135343829 -3.7695763301639049

Zr 2.5607266508923257 -0.5838480132664166 -3.9331995946334350

Zr -3.2743179367610900 2.9724464465294314 0.3891854836651474

Zr -3.5354412154494987 1.3320883708855935 -2.0994423051329969

Zr -1.1543818271801241 -2.3580200761973429 4.7393697676776227

Zr 2.1844446224168736 -1.8868889698257489 4.1117717681822636
Zr -2.7165947225218225 0.1804300930221693 3.8517452185448757

Zr 3.7059143864030766 2.9468891782221998 -1.7758705196143838

Zr 3.2891788373076185 2.7457834143567870 1.7375987923990124

Pt28 Zr27 configuration: ∆E tot = 9.88 eV

Pt -0.0577998602371063 6.4013115108669805 -0.1708804934270402

Pt 0.7470276721229089 -0.3569565239142686 -0.5616516382803651
Pt -0.0758023254247556 2.8447706001181752 -4.3702497705181589

Pt 0.6245980703166042 -1.1533176055902867 -3.3632619342354086

Pt 2.6834179827018541 3.2972153886216633 -1.2004847654523856

Pt 1.3688923344917836 -3.1472924156000399 -1.5510810511390167

Pt 3.8481251258191986 -0.6891511974428787 2.7174434214673404

Pt 3.3644422650563128 -0.6337128530156820 -1.4153581605128045

Pt 0.6529069976366836 -0.2139317775406368 2.6526179546238762
Pt -0.5020576901159229 -2.4797244530278508 4.1310279356623223

296
Pt 0.0785756694841767 2.2816497826821003 -0.2407627405466288

Pt -0.4742662455723560 -2.4352008654099855 1.2315232684020108

Pt -1.7609399868984876 -0.1711854423781353 0.3406191460479063

Pt -1.5111605942641251 0.6849644033592367 -2.2891598827471284

Pt -5.2326203018241504 1.8802374700645244 -2.9443342423103118
Pt -2.4699285685971568 2.9726310722122520 -0.9799414221359000

Pt -2.5872938967553236 -4.3328902118377712 -0.1467533513041276

Pt -4.7270671928951735 0.2137415107876769 2.0988461425788127

Pt -5.9172069934278326 -1.0630492436625687 -1.5768203410618045

Pt -3.7477031922389998 -2.8838350980952825 -2.1497823135934215

Pt -4.1990964604141521 -2.4762361097574548 2.8451631155021140

Pt -1.5781607782838118 5.0453980934581253 -4.1475354607350443
Pt -1.2397182878496327 4.2946182322012998 1.1112617291718789

Pt -3.3799791502499255 0.8374183546024795 -5.4331282590155912

Pt -2.8210996589910597 2.1061858897091472 1.7109217024538228

Pt -4.1030384823387021 0.8441931722973469 -0.6670146058087190

Pt -2.0861379377913409 1.5388897997887465 4.5332449240803143

Pt 2.6653310792799947 3.1277984084361137 2.7889199997976908

Zr -2.8851278243762608 2.8007972052592356 -3.5556451970030061
Zr -1.2879206080567644 -2.1809639364568181 -1.4905712297454523

Zr 2.9803980491491848 -5.0974308868632114 0.3720988741071095

Zr 5.0228012768246142 1.7608803709049763 2.8027559433557112

Zr 4.5386672201397573 1.5817210370309853 -2.0532996412099145

Zr 5.2520071405030873 -0.0139919836772576 0.4402443142739772

Zr -0.8697958843389154 0.4632443691933102 -4.8462287379713089

Zr 2.2660021073220613 -2.0409852665984864 0.8698572295315345
Zr 2.8528966941815574 -4.9118575767751658 -2.4986346286796621

297
Zr 4.6486614531902806 -3.1488276409712057 -0.9384271150366212

Zr 4.3560897492399917 -3.3723960649490081 2.3035990037860570

Zr -0.5246619131646112 4.4982562328198172 -1.8513311352692947

Zr 1.4173879477182425 4.4933562294902565 0.8352938468264053

Zr 1.3240007318310572 1.3585960153908934 -2.6204816181485207
Zr 3.0529646193638942 -2.0963053362578794 -3.5478195065366940

Zr 2.1095778420926155 -2.2116344507502070 4.3009920689035992

Zr 2.3989322491365477 0.9745600782094305 4.2675578168911512

Zr 5.0280031360970323 3.0169573193703361 0.3259594365156014

Zr 2.4863696815078673 1.3454204859785390 0.7891524994689385

Zr -0.3527378967721001 2.2970216478890020 2.6763133059748885

Zr 1.3524274408142045 -4.3998392133625863 2.6941174642367134
Zr -0.0055802593259232 -4.8280922605188294 0.0146524897762299

Zr -0.2375931675520976 -0.1082515251074162 5.2379945017306611

Zr -2.1368606105424726 -3.9656039918449277 2.4454149304646933

Zr -4.1037327122944482 -1.6656602919161330 0.2686606574256494

Zr -3.8842200262558753 -0.3493476639602057 -3.0824052872244003

Zr -2.3611960291720338 -0.5341627934604779 2.8867908065917280

Pt28 Zr27 configuration: ∆E tot = 13.67 eV

Pt 4.1738977793103293 1.7268014245854031 -4.1286971480069914

Pt -2.8931459823900179 -0.0000000000000003 -4.3745512544646052

Pt 1.5371996715248377 1.5307700382317646 -4.8216384215501042

Pt 1.5371996715248377 -1.5307700382317651 -4.8216384215501042

Pt 2.8724471155938494 4.3425681937194440 -0.0659507905326521

Pt -1.5936745877088407 4.2112219329353024 1.9615501875571382
Pt -1.5936745877088407 -4.2112219329353024 1.9615501875571382

298
Pt -3.2446085073736350 -0.0000000000000003 4.7992367037218893

Pt 0.0634179604236983 4.4794641639686006 -0.2277668660682209

Pt 0.0634179604236983 -4.4794641639686006 -0.2277668660682209

Pt -5.1450226870447802 -0.0000000000000003 0.4638526827154280

Pt -0.5201054695659132 -0.0000000000000003 -5.4504777812405072
Pt -0.0531478098707162 -5.7778495205744775 3.9265500971565799

Pt 1.5819499919287585 -3.3269049629928991 -2.7918226604722194

Pt -1.1427739828519572 -4.1412521440317960 -2.6793411229436814

Pt -4.7155771683018139 -2.2432548824377823 -0.9880415867507238

Pt -3.8907525333369728 -2.4901465315137448 1.5324359665740004

Pt 1.5819499919287585 3.3269049629928982 -2.7918226604722194

Pt -1.1427739828519572 4.1412521440317960 -2.6793411229436814
Pt -0.0531478098707162 5.7778495205744775 3.9265500971565799

Pt -3.2861538590083734 2.4482134642246955 -3.2267305185242052

Pt -3.2861538590083734 -2.4482134642246938 -3.2267305185242052

Pt 4.1738977793103293 -1.7268014245855741 -4.1286971480069914

Pt -3.8907525333369728 2.4901465315137439 1.5324359665740004

Pt -4.7155771683018139 2.2432548824377840 -0.9880415867507238

Pt -2.6489237239113033 -2.3829451892470961 3.8835810855567998
Pt -2.6489237239113033 2.3829451892470979 3.8835810855567998

Pt 2.8724471155938494 -4.3425681937196146 -0.0659507905326521

Zr -0.7248291429213446 -0.0000000000000003 -0.5275854753233901

Zr -0.5866122904130230 1.8615255599955300 2.0642656410931450

Zr -0.7435354025424140 1.6503775365278581 -3.3326114343926592

Zr -0.5866122904130230 -1.8615255599953573 2.0642656410931450

Zr -0.7435354025424140 -1.6503775365276854 -3.3326114343926592
Zr 1.2484613871669756 2.1409780945870120 -0.5506971892919367

299
Zr -2.2000494669051074 2.8720327935716905 -0.5685423575498433

Zr 1.2484613871669756 -2.1409780945870129 -0.5506971892919367

Zr -2.2000494669051074 -2.8720327935716914 -0.5685423575498433

Zr 1.6809169280741747 -0.0000000000000003 1.6304725847527535

Zr 2.3576004265493742 -0.0000000000000003 -2.8639873002256153
Zr -3.2054684289132576 -0.0000000000000003 2.0878689436536475

Zr -3.4782295889178210 -0.0000000000000003 -1.7543755879439531

Zr -0.5843681258661996 3.4333354265910425 4.7634838131317716

Zr -0.5843681258661996 -3.4333354265910434 4.7634838131317716

Zr 4.2252193584089417 -0.0000000000000003 2.9790300845377415

Zr 5.6273080782685900 -0.0000000000000003 -2.9556533407173178

Zr 4.2164776648817286 -0.0000000000000003 -0.1714521485452408
Zr -0.6472684625633115 -0.0000000000000003 4.4912953618962392

Zr 1.2247495389508520 -4.3794941885955723 2.2270685416471721

Zr 4.0795753673096504 -2.6392652032290589 -1.7632321435076350

Zr 3.6463539841721575 -2.4381135489542776 1.5799351340853218

Zr 1.8930940610892497 -1.7328235550684783 4.0293650363804128

Zr 1.8930940610892497 1.7328235550684778 4.0293650363804128

Zr 4.0795753673096504 2.6392652032290580 -1.7632321435076350
Zr 3.6463539841721575 2.4381135489542767 1.5799351340853218

Zr 1.2247495389508520 4.3794941885955723 2.2270685416471721

Pt28 Zr27 configuration: ∆E tot = 16.05 eV

Pt 3.1297609720889730 1.3246241799581111 -3.6567659859058965

Pt -3.3698227551203397 0.0000000000000066 -4.5884080695577634

Pt -1.1791880967709012 1.3427636408484358 -5.4592823772153931
Pt -1.1791880967709012 -1.3427636408484251 -5.4592823772153931

300
Pt 3.1737189364836516 4.6171306403520083 0.1686153162259626

Pt -2.6233327448360066 3.9313490186504008 1.8817628512331410

Pt -2.6233327448360066 -3.9313490186505580 1.8817628512331410

Pt -3.9660342659979344 0.0000000000000066 4.0806810762906682

Pt -0.2468658938668974 4.7502536835891140 0.5704597060384441
Pt -0.2468658938668974 -4.7502536835891016 0.5704597060384441

Pt -5.0806776343607405 0.0000000000000066 -0.2476116717596045

Pt 1.1059513617028920 0.0000000000000066 -4.9267078283589765

Pt -0.6421882166169163 -5.1934207131908972 3.3050670874084274

Pt 1.9917145552381890 -3.5854000945214968 -2.8066210757398169

Pt -0.6614262785603565 -4.1191770629586069 -2.1791017436692544

Pt -4.5445933222362962 -2.2273812787149656 -1.6590479473402882
Pt -4.4356780634874164 -2.2301368116948699 1.1110119778544529

Pt 1.9917145552381890 3.5854000945215074 -2.8066210757398169

Pt -0.6614262785603565 4.1191770629586166 -2.1791017436692544

Pt -0.6421882166169163 5.1934207131909096 3.3050670874084274

Pt -2.5812861563170779 2.4897017109565307 -3.4448061532740342

Pt -2.5812861563170779 -2.4897017109565174 -3.4448061532740342

Pt 3.1297609720889730 -1.3246241799581004 -3.6567659859058965
Pt -4.4356780634874164 2.2301368116948832 1.1110119778544529

Pt -4.5445933222362962 2.2273812787148084 -1.6590479473402882

Pt -2.0991056679741584 -1.8540075076276072 4.0814479693188535

Pt -2.0991056679741584 1.8540075076276179 4.0814479693188535

Pt 3.1737189364836516 -4.6171306403521664 0.1686153162259626

Zr -0.4305546162573543 0.0000000000000066 -0.3811391387366047

Zr -0.4772151270181845 2.4109970340206854 2.1190889727273072
Zr -0.0498286700838272 1.6804649994459804 -3.1942824889084607

301
Zr -0.4772151270181845 -2.4109970340205042 2.1190889727273072

Zr -0.0498286700838272 -1.6804649994457965 -3.1942824889084607

Zr 1.1959704735550949 2.8312918788071850 -0.4609473180789126

Zr -2.3214328521247305 2.8398969771080895 -0.5197284608536182

Zr 1.1959704735550949 -2.8312918788073422 -0.4609473180789126
Zr -2.3214328521247305 -2.8398969771080762 -0.5197284608536182

Zr 1.6978547244026194 0.0000000000000066 1.6236711028976272

Zr 2.5135376823922391 0.0000000000000066 -1.3083296414846375

Zr -3.2043353083825830 0.0000000000000066 1.6433930460617674

Zr -3.1064172272121775 0.0000000000000066 -2.1050929224251620

Zr -0.1344396805943412 3.4223117191550085 4.9794577371749345

Zr -0.1344396805943412 -3.4223117191549979 4.9794577371749345
Zr 4.4549454043296679 0.0000000000000066 2.8803165997409321

Zr 5.2704036793804496 0.0000000000000066 -2.9323204567236774

Zr 5.2825330211045687 0.0000000000000066 0.0869420106396984

Zr -0.2704193894981309 0.0000000000000066 4.1855717858496835

Zr 1.7369832639761562 -4.5953883279731196 2.4661568480089029

Zr 4.2272752515907817 -2.5492391866333652 -1.5144865454317271

Zr 3.9023339548851643 -2.3938299945543737 1.4114626409335171
Zr 2.1903410244275099 -1.9303052853501801 3.7950560432764844

Zr 2.1903410244275099 1.9303052853501934 3.7950560432764844

Zr 4.2272752515907817 2.5492391866333786 -1.5144865454317271

Zr 3.9023339548851643 2.3938299945543844 1.4114626409335171

Zr 1.7369832639761562 4.5953883279731320 2.4661568480089029

Pt28 Zr27 configuration: ∆E tot = 19.38 eV

Pt -1.0568140390058132 -5.2134583600552240 -0.7937212900123809

302
Pt 0.5746031419537913 -1.8441186992716572 1.1837254746758576

Pt -0.7702765358812357 0.0451939230062275 -0.8967055731066393

Pt 1.8246432102035370 0.2751637238896774 -0.1995446659514455

Pt 0.3817513770258684 -5.2822203039466693 2.9834529266385816

Pt 4.0071310776011773 1.4163677863189472 -1.0591831139949290
Pt 2.6207132600831087 4.2876510553308869 2.4592423152620499

Pt 3.7255652455241415 0.5764594277129371 -3.8583516399631703

Pt -2.3849128645284723 2.0329009845781099 -0.1462972710627737

Pt 4.2378311774485908 -0.5351575412841745 0.8216323052736429

Pt 2.5906864060496031 2.7867978704835266 -2.8298418637255436

Pt 2.7500055485929846 3.7761336294982795 -0.2997213887984840

Pt 0.0558330721416992 2.0269618936198168 1.3971797427072561
Pt 4.4825127388402324 0.1854273029564733 3.4107585974905605

Pt 3.1439921646901365 -2.9811099210598075 0.2732491471716302

Pt 2.4672343414463893 -2.9127798002509979 -3.5856046027768498

Pt 1.6769908007651748 -0.0385257996269066 -5.7298865870023219

Pt 3.8571776962587063 2.0884601291286669 1.5702389377902550

Pt 3.1880169626882133 -2.1593069776332317 2.8375027949250766

Pt 0.2445724252700684 5.1189661590724747 -1.7192221998093187
Pt 1.9750208044688449 -0.6245115299843425 4.9870920861042309

Pt 0.1759881183617195 2.0659419622870456 -4.0906008105061273

Pt 3.6649881206320214 -1.1998932613780899 -1.7572637845665708

Pt 1.0961865546308374 -2.3564682540656707 -1.3641260031530278

Pt 2.7104470386603947 2.1151884786586108 4.3568796984513556

Pt -1.0535990022136714 -1.4929584439590504 -3.1300416330738967

Pt -1.7880144829715034 1.7750040157608036 3.6546857231029053
Pt -1.6960016167082002 -2.5371216388345164 -0.3696796744798503

303
Zr 0.5521559702824034 2.5106651293500346 -1.2866154273132038

Zr 1.0188650709479858 -2.5105840473066467 -5.5684198153088387

Zr -1.8976633318974889 -3.1617053640012744 -5.1989947082909493

Zr 1.1678138810717129 -4.4610989417049289 0.5907030383866259

Zr 1.4539645971547699 -0.1439278245977353 -3.0309423093484993
Zr -2.0189535426016492 1.3753558720046366 -2.9113317965281835

Zr -0.9541543685572250 -0.1525567549388957 -5.4178359066710113

Zr -4.5921520334651387 0.8562951325733119 1.4616516274621363

Zr -3.6431819887807237 -1.0693402930243925 -3.9800066584334486

Zr -2.2341787119689784 -2.4345150136535625 4.1961699327775550

Zr -3.9626219437536734 -2.0852974142733518 1.8287155625549945

Zr -4.6861313446185004 3.8439937926325212 0.8699670122222374
Zr -2.9812348196168146 -3.6599278038666188 -2.3588663114791570

Zr 0.5884768841450564 3.2610615767948485 3.6985455333424015

Zr -3.4977677198410206 -0.7275398843338754 -0.9997190110295078

Zr -0.5374330162121609 -0.0487189322261334 5.0639869594165434

Zr -4.2306866688398355 2.8071027679326659 3.5948627510000692

Zr -4.6300945967286662 2.1798076141799112 -1.3950026554249275

Zr -1.6057787505128529 -3.9997037012243726 1.8227128273830049
Zr -1.5168169263102966 -0.3907982186762771 1.9037209397952966

Zr 0.7798474515189536 -2.7085564552098975 3.6548587312708678

Zr 0.7015664271551186 4.8687737596616536 0.8655887833980573

Zr -2.1877761107616593 4.5049528513193628 -1.0138211297121229

Zr -2.0673236361964755 3.8853248498988093 1.8779054873035266

Zr 2.0309546561818546 0.3224780097310440 2.4922078515218873

Zr 0.0579145703869740 -4.0817655340970553 -2.9646768735057476
Zr -3.8098827402100128 -0.1747629838959275 4.0987879176003235

304
 Pt35 Zr20 configuration: ∆E tot = 0.00 eV
Pt 0.8073602424994779 -0.2577581104055106 -2.2449949879344628

Pt -0.3844103852801707 0.1628013266167317 1.9201826774036383

Pt 0.8239642787558652 1.9241989256298042 -0.6459541375599784
Pt -0.8351337832221044 -4.7704523541885200 3.3261579858122556

Pt -1.1298901406771207 -2.0143084374911444 -3.1328653047607253

Pt 3.9387302245679003 2.4981679792520595 -1.8832129635654529

Pt -3.7694255779565320 4.1434048310317140 -0.9258561075528651

Pt 0.8274727159940922 -2.2950973834703108 1.7279867455607973

Pt -0.7383526970730645 -1.5654002285559898 -0.3129015718235196

Pt 1.9051532181858755 -0.3838832304932140 0.2449402148842396
Pt 5.4811286963148627 -0.0751430279647344 -0.2859065851346554

Pt -1.8038973335775377 1.6908922236965516 0.3789983681879627

Pt -1.8700072190229480 0.3626570470848892 -1.8899625374815809

Pt -5.2042196586925931 -0.7113932553474412 -2.5616878457104337

Pt -1.1316278591025735 3.9670338410773285 3.6821202978832521

Pt -0.6543675375932145 3.4214993223427266 -4.2773490532230225

Pt 3.1319799290920431 -4.5204324901789450 0.2509229228484304
Pt -3.3456585563501853 -4.5028040339016817 -0.7627657453030683

Pt 4.4826562087478559 0.0798910223241397 2.8358207935466111

Pt -3.0756228302171205 -0.5627855588556524 4.5585319429510927

Pt -0.4870702820681329 5.0430842786567895 0.4368186011997010

Pt 0.5171649308921373 -5.1521090416608741 -0.7002121785808140

Pt -5.2194194044277689 -0.4687820073525099 0.3244960711260140

Pt -0.7068971685119041 0.7393750350775424 -4.4352094430970892
Pt 0.2324150535094574 -0.6725873646090178 5.4240976670188967

305
Pt 4.5177424837563587 -2.7354221528859481 -1.3305039162001802

Pt 3.1363437172283803 -2.5641135741661651 3.5650087928463612

Pt -3.3275742722984787 -2.5593799928635823 1.8489691518594575

Pt 0.8751276618842208 5.0159896797898327 -2.6642467967811228

Pt 2.9810451594420120 3.8380136423606315 1.8859020058340910
Pt -3.1188133257221859 2.2638672246150717 -3.5170352411082102

Pt 3.3348271988794331 0.8306819502486834 -4.5504428020867751

Pt 3.0351116068128117 -2.5797185452200280 -3.6351494613196063

Pt 1.3997017809408745 2.3537187530552499 4.2960275417000213

Pt -3.6793461273878818 2.1870354296826839 3.5957300935958760

Zr -1.1074845697324895 -2.0520413854173336 3.6076530387067334

Zr 1.3275271214257089 -0.9275397476019310 -4.6530945721309687
Zr 2.1664187715520753 4.1569451236319495 -0.6428185734455127

Zr -2.7362637277748063 3.6904675335823489 1.5640107204506275

Zr 3.5637650844710005 -0.3222058457827625 -2.1090166491351456

Zr 3.8858852907169594 -1.8994719723837463 1.0961959496214939

Zr 1.7316993321119676 -4.4958448142038003 2.4377907539292614

Zr -1.2553683612825703 -3.9590510882512531 0.8655539579098848

Zr 1.6389141634034581 -2.8580376938258096 -1.3391460848815726
Zr -1.3607008387898136 -4.4089308328900065 -2.3882057137064243

Zr -3.3452126664891195 -1.8715292697754820 -1.0030369000316164

Zr -1.2170333124343276 3.5150242256479149 -1.6656662741030879

Zr 0.4903126004139309 2.9670874877693487 1.8732046871484769

Zr -3.1428210206001661 -0.3631598624136202 -4.0587522492705732

Zr -3.3127339900542121 0.1377312559622597 2.0086668143573339

Zr -4.1405863592960435 1.5179267807426926 -1.1814884579253218
Zr -1.1404233716693795 1.3159172821105540 4.2157530808973585

306
Zr 1.8714358690153596 -0.0874801743627379 3.3801285546686022

Zr 1.4999351272010046 2.2890134233008945 -3.2803903790238382

Zr 3.6365439094893230 1.5244378512293639 0.7262031009291527

Pt35 Zr20 configuration: ∆E tot = 2.21 eV

Pt -2.2653647705231581 2.2069411728894481 -2.5372676676354984

Pt 0.5689780466584491 -1.9597979740627904 -5.2822314733073847

Pt 4.0928296818850525 3.2146097863147745 -3.3036377046614773

Pt 3.9121832264598790 -0.2271388877256398 0.3258900684169139

Pt -2.1612284811580000 -1.7269384384907864 -5.2137498312074024

Pt -1.7515891472916199 -0.4335490929603436 -1.5513214256676033

Pt -2.9443401329554693 1.0926857067616895 -4.7858158376958579
Pt -4.4632433951815731 -0.1896601458751759 1.8287533927275381

Pt 1.1385599420093424 -0.7611009569141158 1.2051226038837404

Pt 0.5785707266323268 2.1814139236901626 -2.3676001336370489

Pt 0.4006572711240208 -4.6456222238627545 1.3604867535512912

Pt -1.5766328172610518 -3.5432234525005795 4.6588656476970876

Pt -4.5621386467996192 -2.9975248821241491 2.1333671220581780

Pt 2.9060468490259748 4.9037958357399090 1.2261091912017636
Pt -0.8541672504565643 1.2402708198803696 0.5709117827542405

Pt -4.4304356122442048 2.5560829316107672 1.6810023710327673

Pt -3.3744743831400204 -3.5755022245132393 -2.3902926902721986

Pt 4.9282680352428541 2.3421315165274352 -0.7810518970205831

Pt 1.7373019381179144 1.7138264198603608 0.1335483806874327

Pt -1.5721168851905620 -1.1277229762403165 1.7644199949871140

Pt 3.6397281778929962 1.1482450584573956 4.0146965201691280
Pt 2.7801059507473749 -3.6920011998897264 2.4191878932937700

307
Pt -0.9894053482871730 -0.0826098697684286 4.6111894108938039

Pt -0.5260891042637557 -2.6231436295642068 -0.2901229729190587

Pt 1.1711361755799796 -4.2599427676187913 -2.0461519522953693

Pt 2.1522438428100283 0.2749878015579741 -4.8133119959549129

Pt -3.6533207334681013 -4.8914628355340239 0.1851621300461266
Pt 1.7931379628966964 -0.9184306571953682 4.8746313378402881

Pt 0.7574018877503956 5.6908871425937280 -0.4488636001799560

Pt -2.2512550107995910 3.6387487056531898 -0.0104004176644222

Pt -2.1806408295553386 4.2726852545979952 2.4968195441998549

Pt -0.5059244515180215 2.9635085225403843 4.1852353837210678

Pt 4.3667457069892546 -1.7594217378467745 -1.8882627400628931

Pt 0.9390593484584313 -0.5941358581968741 -1.6519500465323145
Pt 2.1102268287293580 3.5345317483855085 3.4924177187706280

Zr 2.4131725621040712 -2.6990254206498987 -0.0792306851533991

Zr -1.2484736657255642 -5.0584848912348646 -0.7634093902422106

Zr -0.5139813946282263 0.2191435907039265 -4.0875034008639739

Zr -3.5995529036329206 -0.9465491591335633 -3.2820574691577433

Zr 2.2460105336742684 -2.1848083679117378 -3.3030873483542194

Zr 3.4187151358784602 -1.1237249825088709 2.6932856105054728
Zr -0.8717708775818185 4.3587968954844811 -1.9704451967540504

Zr -3.3040382905742920 -2.1769848952055879 -0.0768144477455704

Zr -2.2547086419659852 1.6008923227362191 2.7477975624219000

Zr -3.4766277683729161 1.2484426131566053 -0.3397857222918870

Zr 3.7483070128521829 2.3574744524455484 1.6420094251862343

Zr 0.4341018210895324 -2.4092324282950228 3.2238610799632741

Zr 2.6034788732483687 3.8543251984594251 -1.1803868274731795
Zr 1.0586817600028464 1.0860354837994253 3.2318856651912626

308
Zr -3.0594234153638329 -1.5276917299641566 3.7927060989942905

Zr 3.2603306853774168 0.7641482309514247 -2.2100069260269009

Zr 0.3057458532546660 3.7945523809273070 1.4580773640083666

Zr 1.9156370636332465 2.7570640938052335 -4.4586909656829414

Zr -0.9156732158072689 -2.7956032267732196 -3.0201316849477364
Zr -2.0707457263787408 -4.0851926969696803 2.1761423972042624

Pt35 Zr20 configuration: ∆E tot = 5.33 eV

Pt -1.2449873977932915 1.9421309170160685 1.9522923735737550

Pt 3.7926564133725869 2.2651435825700266 1.8988519960365124

Pt -1.8045859289878725 -0.7855367172933891 1.9028287648795299

Pt -1.7514221393436136 -2.6251818362584411 5.0736270896411497
Pt 2.4717419878555242 -1.5492498819613227 -5.0611439181627134

Pt 0.0357452510252793 1.8251124525241340 4.4772303768186816

Pt -2.6304386417489205 -0.8569624792158446 -4.1705744569148919

Pt -0.6150615943499210 4.7581895549648650 2.0231041575867152

Pt 2.7986217713526038 3.6932246936445314 -5.2499748638456367

Pt -4.1025219776833488 -4.1692030276865424 -1.6067336071050704

Pt 2.6724211905479400 -1.2123723570058540 3.9903602018279116
Pt -3.8121528044029525 2.2298126151686053 -1.1435208990083652

Pt -1.3841980870402570 -2.5017495949602515 -0.0940719041379907

Pt 1.2082497645024015 1.1905634174541961 -3.0466042973309300

Pt 0.7054237279871823 -3.1141937052016782 -3.5434183995664625

Pt 4.2026716858728754 0.9205924225232072 -2.8096338070863567

Pt -3.5036514243287762 -4.2961478339825092 2.2065655988340609

Pt 1.6493855988661645 3.6616944421041855 3.1677145913682239
Pt -0.0946788735740219 -0.8868850387868359 -1.8407587875736908

309
Pt -0.3581849478090325 -5.0987406455440762 -1.9664149807832132

Pt -1.5495238754748433 1.4630813714990656 -5.4170263107885148

Pt 0.8613234923317360 -1.5599881569464809 1.2670942080053464

Pt -2.7211575547609037 0.9507530669320592 4.0012033904446866

Pt -4.2666041305698137 3.7215222371800611 1.2843499484769723
Pt 1.3069006537016359 0.9532171109952903 2.0017398902328409

Pt 3.1992345332500358 -2.8813000910154822 -0.0094900188131533

Pt 0.8531364689397957 -3.3604503843508904 4.5252953416126047

Pt 2.4450739977268094 1.0491131318094022 -0.5477162870893721

Pt -0.3353603382917604 1.4029203750497961 -0.4264221926890741

Pt 0.0963127224120522 3.5610295687995364 -2.1095328228665835

Pt 0.6108281918401454 -4.2000172689107629 0.4674809381616001
Pt 4.9519384893077367 -0.9390358644602155 -0.8484596788543968

Pt -5.5725960747510577 -0.9331352782570614 1.9747961955408186

Pt -2.8136746777108748 -0.3172190243929048 -0.8226319081209681

Pt 3.9267416244852633 4.2014929852487013 -0.3144561201405054

Zr 2.5299411306356241 -1.3075622075111322 -2.2713105083396954

Zr -3.8416456898704574 1.0606922874587714 1.3810451083517137

Zr -0.0613711433522289 -0.7192466768624466 3.9871482725380361
Zr 2.9182558172630628 3.3533245904277398 -2.5693448006250605

Zr -2.1321749237943628 -5.0521844060531365 -0.1638046630971530

Zr 2.7016390034972924 1.3985529746290060 4.1858954351907300

Zr -1.8835976878073060 3.6693964090613878 -0.0774112286909485

Zr -3.5973382298519674 -1.4935961009750325 3.6542744845438619

Zr -1.7559741410674368 1.3774861761640369 -2.7333365891150265

Zr -3.9942982132112625 -2.3878503519256991 0.4072536221190148
Zr -1.8915178605678837 -2.8912257231407987 -2.6157542435784080

310
Zr -1.0415973182767819 -3.4509507044157384 2.5731852668031365

Zr 4.9936787562614322 1.7162710386469304 -0.3717359748081321

Zr 2.2626493858545054 -3.5286411693439343 2.3928960959122492

Zr 1.4609274739173126 3.3674585840580495 0.5508838734540973

Zr -2.6399393344684619 3.5850920422155315 3.2694203977637244
Zr 3.4819864705068007 -0.5887830427880725 1.4335186031128728

Zr 0.2982368526448945 3.1150484072568889 -4.6703533559617654

Zr 2.9758493926867695 1.0168003656364637 -4.9903810205797186

Zr -0.0113168377560519 -0.7423072517920057 -4.5580385771570491

Pt35 Zr20 configuration: ∆E tot = 6.66 eV

Pt -5.7707691900134792 0.6025208986907726 1.7125174945618753
Pt -2.1421029954262827 4.3002931771646811 2.7277736087308218

Pt 2.5684100202270792 6.2290963488469426 -2.6572567567025271

Pt -0.5566115643112516 -6.0754060771976217 2.0971114366646293

Pt 4.9467456385378954 -0.1067857730914259 1.3722944599592595

Pt -0.1164343856158302 2.8565180434786042 -0.4457087873617709

Pt 0.8144523893302585 -5.3976476075398043 -0.0913814141032574

Pt -4.6874122712712252 -1.5124310183198961 -0.8437708892545472
Pt 2.5664529231805226 -0.3555868771255266 0.1453155721742790

Pt -1.0879039808588662 -0.3937255302191235 -3.9437311849833532

Pt 0.5476945899404250 0.6676087494627039 4.2606370245254475

Pt 1.0104856787033378 -3.7703516225655083 2.1769287299797884

Pt -2.9291319423350592 -5.0827914618949510 3.0745617231710658

Pt 2.1831521100559192 -4.3936770732156649 -2.1778637373206675

Pt -0.6613616451514849 -4.0359900314201784 -2.0526415946499310
Pt 3.9559446699217964 -2.5842430533861123 -1.0480604556151050

311
Pt 3.3522020632345879 -2.5938753046735972 1.5899646690333313

Pt -3.1213715151033603 -3.8367649597576676 -1.1613798521929837

Pt -4.2857380873423923 -3.3761803404963278 1.3032054413127796

Pt 1.6725268108259594 4.8786665131826137 -0.1736487498737531

Pt 4.0589982687246833 4.4505432534270852 1.2059197411510738
Pt -1.4886641012134281 4.5442141032274801 -2.2851489207040641

Pt -2.3353310538620895 1.3097315004154009 0.3811373502652302

Pt -0.0375066369817864 2.2237264082090089 -4.3373606581107147

Pt 3.8083877092199168 0.3384957118779424 -3.9686431079323552

Pt -3.7696047667437234 0.0921690892100653 -2.9909925666064692

Pt 2.5840024655334495 -1.8804471927377993 -3.2683972410375941

Pt -5.1801160655031682 3.6096911935193159 0.6935121792880452
Pt -4.0871521844597369 3.4149261721359405 -2.1189011759094751

Pt -2.3947601219248305 -2.3957120602561393 3.4360237338719162

Pt 2.0411353107438734 -1.8463777741195120 3.9014370492318808

Pt 2.2552104087731117 2.9119263103053639 2.8183994426093268

Pt -2.1699992724965091 0.4473980315665270 3.4718206043381561

Pt 3.4092394864669040 2.4833878549265958 -2.4444397336870520

Pt 5.2506378724538676 2.1873583023103063 -0.2216055365695595
Zr -0.6898004794915641 -4.3595151146584019 4.0343283260076923

Zr 0.2767210689856420 -2.5664194829482287 -3.9023540384676108

Zr 4.1270591335685962 4.7412356039087484 -1.2958205450651874

Zr -2.6375425915157940 4.0106767745584104 0.1160053544523223

Zr 3.2741721323653841 -4.8126697037589086 0.3181909605868711

Zr 4.6366717248157601 0.0345467768076926 -1.5242388861137968

Zr -3.8432857675170999 2.2392520554794739 2.5209180614447537
Zr 0.0470492499527545 0.2182018596526430 -0.0864094482097541

312
Zr -0.3591621581126651 2.3322837472314770 2.3767944207569189

Zr 1.1848187625496418 4.0121720573492237 -2.6735252924030601

Zr -0.1539925606687097 -1.2758029621029525 2.6045309853464960

Zr -2.0826802951515879 -1.4859736847713609 -1.6420495677535498

Zr 2.5990316918723715 2.3812863046378450 0.2086549357456804
Zr -1.8925421765148915 1.9078827603454922 -2.4320179469932737

Zr 1.1862482268566106 -2.6136597833760877 -0.5846916766298775

Zr -1.6834642009679872 -3.9021274464890983 1.0084936043267974

Zr 2.8248754849888704 0.3366075339913462 2.8218983535299844

Zr 1.3194790606821154 0.5046321695658573 -2.8171094226244304

Zr -3.6041159895232773 -0.8863279534230148 1.4930992813384381

Zr -4.7332469524332597 1.2734405840593492 -0.6823253575291417

Pt35 Zr20 configuration: ∆E tot = 7.32 eV

Pt -0.2095528715387830 0.4541090053215364 0.1319301537976147

Pt 1.3909382163583430 1.2088478448218418 2.2071485229413415

Pt 1.0015039198334605 0.5373232167962763 -2.2496591816404785

Pt -0.6214752275690146 -0.9046212167086103 2.4933859120320707

Pt -1.1529143128823804 -1.0685217151138793 -2.1291401249907236
Pt 1.7589944719112012 2.4681148032346507 -0.5659161644205679

Pt -1.1648664333997019 2.3194176373973030 -1.8795200133764038

Pt 1.0087932693703650 -2.2768031213213837 0.7492362104308117

Pt -1.6292030267086304 -2.0901210778076709 0.2637739841619609

Pt 2.7124913061118221 -0.0795125610615535 0.1264407486573336

Pt 2.6827094943446399 -1.5264104737072919 -2.3105687098796435

Pt -2.4792554540360854 1.1134391773717973 2.5533720784046099
Pt -2.9536079162844473 0.3093334228054325 -0.1804859460910930

313
Pt 0.1602364228991248 4.7239290186162268 -0.9403598640129727

Pt 0.0455973516209339 -5.6132422194930793 0.1210128483749631

Pt -5.5249696528495047 -2.0564607730865325 0.2900748192282694

Pt 5.4558873733971112 2.0268102628656472 -0.2600295386396252

Pt -0.6756932644131483 0.9047201056055294 -5.4645624929571541
Pt 0.9521714295457356 -0.5767743351768124 5.6819388193675335

Pt 1.0444239314028367 -3.7687272906075484 3.9235324998077803

Pt -2.4107979802635597 -4.5864282313263995 -2.7838677627055941

Pt 2.4449557661787411 -3.8803711725358219 -0.9571723818069668

Pt 3.7245826545154772 -2.3342406263809514 1.2556872296401624

Pt -3.5560900899007990 -4.0745027886176128 0.9052899941927453

Pt 1.1567592429609066 3.9446676167791090 2.8511842301384749
Pt 1.0354011190148684 5.1751121506784532 -3.4691883079219648

Pt 3.3984831291895219 2.9047107613607843 -3.9468541425016466

Pt -4.7583519595708577 -0.9457117015635865 -3.3539664138573895

Pt 1.5076357052967708 -3.5997219369169122 -3.6978121805831248

Pt -3.2201979449214306 3.0755239323108960 0.6759024074297062

Pt -3.9900587623994781 2.3061762815690465 -1.9246806804038639

Pt -3.0314126890661939 -3.4013413694792027 3.6898741761857567
Pt 3.9015109401982544 0.9263694460462468 3.4124976739290704

Pt -1.4682047318240663 3.4917933964671399 3.5780962624718344

Pt 4.0689811400899956 5.2598015667566163 0.3778372241487236

Zr -0.9767399992121498 -3.9778021186048611 1.9801203342474341

Zr -0.1363034264826909 -3.6073169991136544 -1.6981357126942922

Zr 2.9030671255624796 4.3824118991652856 -1.8530686176847522

Zr -0.6668561502108831 2.9556390238569841 1.0850670135305935
Zr -2.5201608852645379 0.6530666695398488 -3.4980964142857798

314
Zr 2.0811445484832847 -1.2550974247795827 3.1727519215948550

Zr 3.4433734403653533 2.7950627802371835 1.3687815113837050

Zr -5.2743028285732958 0.1974179348880036 -1.1316077393936408

Zr -0.2870413479018837 1.2643998778231187 4.1640141579861192

Zr 0.6625270948891896 2.5717778518400771 -3.7835577500262016
Zr -0.8872784398844190 -2.1257686406736886 4.6609991123904164

Zr 0.5594388454469524 -1.1717001920719006 -4.1244855017422397

Zr 1.5620447920362110 5.5459315553400845 1.0155375936959135

Zr -2.4617632358825219 4.5031043845965630 -1.2815239105912579

Zr 2.2521743084646504 -4.4614984970904086 1.5602452640991973

Zr -2.4679971728609686 -5.7548976957212883 -0.5203758951384967

Zr 4.9734532583615945 -0.0479774881216506 1.3621680927685733
Zr 3.6715027171617907 1.0176777314903895 -2.0994986983499158

Zr -3.5094372467205446 -1.3459721647239369 1.9811817077732061

Zr -3.5262499643896419 -2.5051455237762545 -1.5349483591149888

Pt35 Zr20 configuration: ∆E tot = 8.42 eV

Pt -0.7744444438938729 1.8035053929496108 2.8536103301712248

Pt -0.9235989399043814 2.7919306019645482 0.1267929515659276
Pt 0.2786234089730069 -1.2160561662755838 2.2034954581337716

Pt -0.0185077597093894 -0.8124592252785005 -1.3416345706146771

Pt -3.5570197988471746 1.1794937415605646 2.7630103363168401

Pt 0.9257954473200865 0.8804502499045331 0.7166400225987222

Pt -0.3544048798119406 -5.3766866558272346 -0.1897177409685333

Pt -4.5337656864437248 -0.5016098335267075 0.8238001529851104

Pt 4.3331082195701560 -0.1201864651412522 -0.2415276897633916
Pt 0.1923385535979978 0.2216420606538028 -4.0189944398611592

315
Pt 1.9767560071059573 -1.4250149854857759 5.0544933663023661

Pt 1.0713066978672516 -4.0074676465688688 1.8131621172531933

Pt -1.6454903617248224 -4.7035449210459985 2.1541816244813474

Pt 1.2006813384258093 -3.6047391790829177 -1.7052014394281307

Pt -1.6093272342454779 -3.8362704251078963 -2.1587660432464202
Pt 4.1125928988918803 -2.7256565661256129 -1.7057944943302992

Pt 4.3372168818114698 -3.4997023395338100 0.8081207274128357

Pt -3.4721023427035353 -2.3904398813332008 -0.8009430895235876

Pt -3.4913562907846929 -2.8072796300929586 1.7936835390288721

Pt 2.5250958469538132 3.6630158298309459 -2.9098078284954316

Pt 1.6335303382704447 5.7713960309280248 0.4004753553467204

Pt -1.5664902470662725 4.1082510790550151 -3.3420162057258840
Pt -1.2370395680360204 5.5042313091148900 0.6468586022588030

Pt -1.8751067708424245 1.8049503725719693 -4.8118425473369895

Pt 2.7706664163088357 1.1899367993985013 -4.1667285528565055

Pt -2.3472610518437387 -1.0635434713435183 -2.8389848504812787

Pt 2.2485494052997792 -1.3171005607285358 -3.0033958671655161

Pt -3.6497671689064974 2.0490794134187826 0.0628155744906123

Pt -3.8796504365932138 2.5177510008622788 -2.8478549318708066
Pt -2.7263750735878487 -3.2667211705911665 4.2840241810770010

Pt 3.0089193821731426 -2.3207738623648044 2.7322205672533575

Pt 2.0530041881032464 2.3214145619228859 4.1201570028197967

Pt -1.8271621687232831 -0.6035262588453475 4.0396522720520434

Pt 4.5711188470927411 2.0764545805393162 -2.0021392811785863

Pt 3.4629595988064148 2.2660646358145264 0.6224190552219018

Zr -0.1587701650067850 -2.7780882419672768 4.1328382457258019
Zr -0.1563199153837467 -2.3618768183348227 -3.7663170029734325

316
Zr 3.6095090481551217 4.4441510439245127 -0.6593020155206630

Zr -2.9065569040395642 4.3858190722734038 -1.0787569613341439

Zr 2.6013495679926608 -5.0402102783259748 -0.0171531938631044

Zr 4.7227794190234169 -0.4930306385904137 -2.8310294497723238

Zr -4.3728622749415278 -1.2187721218763008 3.5805411286319457
Zr -1.8979886923368607 0.1057098343814110 0.9570706871786057

Zr -4.4356497314107655 0.1290522964942776 -1.7763573396744234

Zr 0.3736090795525875 0.4723805932801788 4.9285937113079887

Zr 0.5429884082905774 2.8064440992484538 -4.5369630292994172

Zr -3.0544064521390419 -4.9512081163816317 -0.0562131000238029

Zr 1.2787656586203047 3.4202522258760411 1.6795781062801638

Zr -2.5301789174135640 3.6134723711097303 2.0818647765378731
Zr 2.3002958002984890 -1.7607949927775179 0.0775191316529187

Zr -0.8265615907416628 -2.8603995380147591 0.2199433459935556

Zr 0.3553869886511600 4.4749949893180014 -1.5693248872295669

Zr 2.0744278797417470 1.2585621654374897 -1.6510962843786288

Zr 2.7704045221206970 0.3202008603010398 2.5693337941371523

Zr -1.5036149819369584 1.4825527784336507 -2.2190333272997464

Pt35 Zr20 configuration: ∆E tot = 10.24 eV

Pt 4.1080730287866301 -2.5315077086446784 -1.4383369490805080

Pt -0.9807602414884987 -4.7388653044111173 -0.2864507569706803

Pt 2.0236607821170720 -2.4165055774657525 -3.3946608861631944

Pt -0.0283809089168605 1.8138397727219377 -4.7253822503496963

Pt -1.9192732837806850 -0.1007367150631602 -4.8406731780948462

Pt -4.7764078629991804 -0.0656181670882141 1.9707289025246837
Pt 0.8623365068421504 -3.8850619896593024 1.5758170916229233

317
Pt -3.1383107545894422 -1.0526884238735441 -2.5329179576884258

Pt -2.8107959607241941 -2.1331879756398529 4.5536199075692139

Pt -4.3055352074171669 -2.7138654434300769 2.4438573624683499

Pt 5.0033001586396022 0.4401465546689884 -1.0243815082851597

Pt 2.5107631127807490 4.1664554684643669 0.9423357044595376
Pt 4.2108394085734586 -0.8339524730768879 -3.6108321495455584

Pt -3.1565055439120346 -3.8359903980454213 -1.9727409770991358

Pt 0.3068831400425960 4.9217029598640671 2.6181166134450677

Pt 0.0204606100012324 -2.1700660804760581 -5.1677474510241836

Pt 3.6729209345181131 1.7566229020855282 -3.3822585221294617

Pt -0.8006101048388833 3.9931823884843745 -2.7646392342280137

Pt 4.5889938600905662 -0.5517017653663991 3.5498689606337734
Pt 3.5854559626622473 -3.8162737355996477 0.8890937192107912

Pt -4.1742644846239063 -1.9058659060240437 -0.1534516394144703

Pt -1.5254532727258285 0.3760805915609104 4.7893710467758979

Pt -3.0874311856835011 1.8381657525599486 3.1150061311932404

Pt -3.7622192243704280 0.7539985548203028 -0.5401409489154504

Pt 4.3102981866435908 1.5598184594458964 1.4619701676750765

Pt 2.5364173960506333 -2.4272412736285922 3.0337146300949485
Pt -1.6782840928220841 -3.4538256199820374 2.1004208216633060

Pt 0.0191719564370468 -1.6689573628920833 3.8058104134137238

Pt 1.9131121507747915 4.5928528962171846 -1.6757991450370469

Pt -2.6138365019681391 3.3668103453401592 -0.8359255088366809

Pt -2.2404941476308995 4.1364948687671905 1.8648788978240418

Pt 1.9483305968244007 3.5593375944312449 -4.1535492818754847

Pt 0.7939710112783541 1.7543616278287892 5.3168859120123102
Pt -0.4713453632512047 -3.6112473276608306 -2.7682667046947813

318
Pt 2.3333871543035185 2.8114911039495816 3.2756602901121736

Zr 1.6537581872537384 -3.4521176626003260 -0.8563745636113823

Zr -0.2376605763086010 -0.7920072981082420 -2.8933184092147144

Zr 0.7249379408899540 -1.1963659297061575 1.2199095356390899

Zr 0.9009307294848509 2.1232507069088662 -2.2120337774287009
Zr 1.7288226659440464 1.6343705835389279 0.9135888046693593

Zr -1.1751532451125988 1.2278493956223748 0.0672207831990476

Zr -4.3796700119411316 2.6989616025038323 1.0857139070723747

Zr 3.9059211026089953 -1.1456540149057695 1.0897019023636858

Zr 3.8587746957657556 2.8342446697488732 -0.9362402946279645

Zr -0.4259424757746066 2.4447468447053531 3.0838312336259150

Zr -2.2220411934210365 -0.7261577846590193 2.3255781966831250
Zr -1.5993174222824698 -2.2602193978576359 -0.5226081015556475

Zr 1.9961730631509293 0.1157988948794220 -4.7263950997459006

Zr -3.6605132416283954 -4.3986608147440300 0.6486189736343134

Zr -0.0989408929547741 4.2265323764911820 0.1112279146029208

Zr 2.1302632966407442 0.1573552225640107 3.7968880504515141

Zr 2.5551274564333495 -0.3122266716865418 -1.5612172564351567

Zr -4.1677787257443146 -0.0452079468071496 4.6426347115342992
Zr -2.4056971804863014 -2.7250928226753466 -4.4152769776261493

Zr -2.3604619881419371 1.6623974536046013 -2.9004510564963084

Pt35 Zr20 configuration: ∆E tot = 17.94 eV

Pt -2.3574433713513487 -3.0264013849886471 4.2950271648228808

Pt -3.8170096395396120 1.8950016274298440 2.1612653351803552

Pt -1.7054539396381303 -2.7536807817403677 -3.1748582852838632
Pt 3.9687087223926385 4.4144665237511242 -2.6545364132056020

319
Pt 0.9512819931441978 3.8483250217024576 4.6905303622306791

Pt -0.6376107886394911 4.3941403215078108 -3.7452199306172536

Pt -0.8236579877321768 -4.7165157366996571 1.0835397536995770

Pt -3.1794483526589259 -2.3047403293497073 -0.8703837552299273

Pt -2.6633310356623960 1.4481182439513500 -0.3882341181557689
Pt -0.9141792417812562 -0.8026712229027239 -0.1928961874412764

Pt 0.3590890783684237 -0.6197758487095103 -2.7530321256875578

Pt 0.0873323532790860 -4.9093417896422125 -3.0590051017127995

Pt -3.5801179951490978 -4.4295825590048992 0.7442559858325209

Pt -0.4272111127012996 4.3882452266507386 -0.9730998830566001

Pt -4.6303615929459960 -2.5415098533399920 2.7489300308464935

Pt 2.4681927353420479 -3.6299658454807506 -2.4858812198572449
Pt -1.1387251510194565 2.1008329842528219 -2.4299550334281972

Pt -2.3756639065144514 -0.2580400993831676 -2.4193883308314956

Pt -1.3209185919428732 -0.6499080028782539 -4.8729881774945385

Pt 0.8730771250053051 -2.1067770572220219 1.8230063507232086

Pt -1.3035444179815281 1.3827338675065948 5.8836660620924723

Pt -1.9828335665036230 -4.7275178568427556 -1.3480773979140150

Pt -2.0609011981487866 3.7739975289702157 1.0254660408613474
Pt 1.0530832929040583 0.5768820800212621 2.9552598312668814

Pt 3.0559356221437071 1.7513872264614261 0.4416475088357124

Pt 1.6507744755848837 1.6998696668890043 -1.9699454979891802

Pt 1.4769532915645796 5.7030710910380016 -2.5857482781088614

Pt 0.5157884493952309 4.3508483711513826 1.6252090659805334

Pt -3.2944010755034894 4.1193081648173973 3.3815585892990039

Pt -1.4906363317190072 0.1854682643385807 2.3065058805532144
Pt -0.6461060940239518 2.0831615714768965 -5.0664422511170661

320
Pt -3.9656858790798752 -0.4624106520124832 0.9009684892832418

Pt 3.5591560220314520 1.1915780710062498 -4.2904620035895613

Pt 0.6309063526938958 -1.5776097294730034 -6.7576819532745693

Pt 1.8643838426491230 -0.6495726092954380 -0.3361842730613226

Zr 0.5532007481712284 -2.7448931601381581 -4.4498115927876016
Zr 2.2972193155200014 2.8938367746256288 2.6602855060861006

Zr -3.8280852933212701 -0.2361772387453163 3.5376188497912628

Zr 1.1692280139153750 0.3802781010185498 -5.1741162273275476

Zr 3.2393249494966740 -0.4936402323034005 1.9946813013451652

Zr -0.8784602231875356 -0.9270313383635161 4.6504703061715817

Zr -1.2338983778183659 2.6974937610994356 3.4528129866772139

Zr 2.0064900985618559 -1.6530296795948549 4.6678174408985607
Zr 1.6944633023390763 3.4284184323362119 -3.9079393368303568

Zr 1.2057106655564302 1.3921231762192596 5.4444776326283355

Zr -0.1285825067098783 1.9007250195708922 0.2400784519097044

Zr 0.1808408392785621 -3.1180221576873528 -0.9956278523573378

Zr -2.1844426565214912 -2.4550453043078235 1.6460984291733527

Zr 3.2332388035761150 -2.9793718663825342 0.0128423203272994

Zr 4.3062885139056135 2.0337929848546237 -1.8832889321801649
Zr 0.1437878264509065 -3.8426914479252190 3.6425286083567596

Zr 3.2016133356681999 -3.4591870314562581 2.9610356285772110

Zr 1.6898608802833035 -5.1192394459199644 1.1218644364110175

Zr 2.9724242726323808 -1.0132081070310901 -2.6834887346590812

Zr 2.1603554059409609 4.1734542661733141 -0.6311554566628906

Pt35 Zr20 configuration: ∆E tot = 21.68 eV

Pt -1.2411045663805738 3.4540757819245620 4.3176196221252479

321
Pt 0.5919058924114979 2.0035768508909380 -4.2404550749557854

Pt -0.3515958455958768 4.1486222371066708 -0.2212109649357705

Pt 2.0561704215823604 0.1010900033344040 -5.3522314936138597

Pt 1.4255734506182083 3.3340400122407257 -2.0406590340985948

Pt 0.5338229167629895 4.2087168297552866 2.2857238378580940
Pt -1.1685275539246007 3.2878604207843605 -2.7341732092853688

Pt -2.2949967949934460 3.8584641583209764 1.7137486827137405

Pt -1.9247892317726170 1.4429024329958775 -4.9940095564566738

Pt 3.1779806251605565 1.6395197824477137 -3.4324889519935082

Pt 1.7670067695890104 -2.5138261247581619 -5.1612070584664513

Pt -4.5389192580979953 3.1677466077143066 3.1047888904187486

Pt -5.4138281987494095 0.9926906851153587 -1.3577175408445621
Pt 1.4064081289138002 -1.4892479509905057 4.7383992940529653

Pt 1.6742537376425284 3.7908816712094193 4.7058161679840333

Pt -1.3282616804242420 -0.2779209935473820 5.4097309408527421

Pt 4.0767650141654066 3.5207076588364927 -1.7898431593006370

Pt 4.8496219770568372 3.1950375174871999 0.8903660725534861

Pt -1.2381565036024107 -3.1349144482462501 -4.9361653041882372

Pt 2.3951037544676983 4.4380107292779547 0.2978244225227291
Pt -3.0604655106437035 3.8873006481456445 -0.9242890926272773

Pt 4.7296567602760859 -0.9695315666057960 -1.3918493470875530

Pt 0.0661500480937211 -0.3127873507671159 0.5227144466845042

Pt -0.6715709516063477 1.6663972934588402 2.3780195170384291

Pt 0.9620945413143189 0.5185843189837112 -2.0401114444657464

Pt 0.8660247335125371 -3.0111257722017184 1.5213306508061413

Pt 0.4564625999878735 -2.2363224986751087 -1.6134318613740222
Pt 1.3393433279295504 2.0245476402471665 0.3849800808840227

322
Pt -1.6422959000532444 1.7193706989301951 -0.3259388573011703

Pt 2.3019846891900753 -4.0339141593367147 -0.7155978493160644

Pt -1.6342747628030072 -2.5401534030568742 0.4279979159024974

Pt 1.8511094800466441 0.3963064539099426 2.5023621803459255

Pt 2.6508537214389567 -1.3620210210829784 0.1380997480041151
Pt -2.6965296732011441 -0.0736905483266960 1.5298677913796483

Pt -1.6730222486646025 -0.5653789288031179 -1.7407280232151328

Zr -3.0515797713893789 1.5176871720887446 -2.6392758061509332

Zr -3.5274768057883903 -4.2458657528496326 -0.0089487686270786

Zr 2.8556429007785185 2.9136292589857815 2.4883817154224515

Zr -0.4410824782008221 -4.9364081805245972 -0.6973290073430709

Zr -4.1188706543064315 2.1323235031506558 0.7328253634267385
Zr 3.6370630973413172 1.3370540933527648 -0.6266000257819977

Zr 0.5875844451863192 1.4516292279725720 4.6751468338781601

Zr 1.3119243980489450 -5.6352398294627450 1.4387845306512865

Zr -1.4638799747301718 -4.6280264824617996 2.2198736497280320

Zr 0.7752120569691054 -4.0165277569202411 -3.4308189811597947

Zr -2.1821278810335278 -3.0401652461966586 -2.5163337665048777

Zr 2.7347287118573758 -1.0709678064193122 -3.0670064339407324
Zr 3.0626527193424802 -1.8659967188490230 2.6247861347434736

Zr -4.0404642163166242 -1.1321878564535064 -0.6099926718919972

Zr -3.6785431969005855 -2.3462025542275304 2.3315566269782426

Zr -0.3849382123349188 -0.5982398957461550 -4.2206989787267650

Zr -0.6717239099150920 -1.2625235203591147 3.0343222709805211

Zr 0.9553019650726371 -3.9121179128217429 3.9861198106649356

Zr -2.8126349566115318 1.4138984125250404 3.8596548132686364
Zr 2.1532578532833395 -6.3513678215028380 -1.4317297482158837

323
 Pt35 Zr20 configuration: ∆E tot = 22.74 eV
Pt 2.7508971689501571 -4.1212234516231225 -2.7936971950771374

Pt -4.1953818478112233 1.5935837680061662 4.5746567143922388

Pt -1.8380540380790344 -2.4627166930663451 4.5204109297093371
Pt 2.8921558113348258 -0.3380943504771644 -3.2581685367170818

Pt 3.3665142255471174 -0.8899255824630331 1.3203464217352616

Pt -1.6061809330383630 -2.5915024913028324 -3.3181140683629602

Pt 0.0194550674943354 3.5279735639248688 -4.6400516147595798

Pt -1.0402441270449356 -5.9045582090109638 0.1378212900955100

Pt -3.5282733080970310 -1.8866758617385535 -1.6120857378102285

Pt -3.1145979040880452 2.5906746910478970 -0.3087053876193773
Pt 0.4890455449697015 -3.9396595358825257 -4.4440713807269123

Pt 3.6775855006279006 2.2704517850402670 -2.6058502385833409

Pt -3.7748661373631318 -2.6294362426000939 0.9879899613145708

Pt -1.6452053499632606 5.0023671732262827 -0.2092468257422846

Pt -4.1570383145169600 -0.5566223753972722 2.9421336056706107

Pt 0.9079831082109868 -4.7873667088447691 -1.1515882987782922

Pt -1.5110267698822779 2.5375410461194257 -2.4933417783402279
Pt -3.6344759693629989 0.8299723914580986 -2.2422576089080275

Pt -1.6042853854240293 0.0451732469238301 -3.7729964947361223

Pt -1.8979072715445715 0.3147768911851517 4.2546356930693836

Pt -1.1930459660660941 -5.1701111338279224 -2.6228019386169779

Pt -3.6435889862382229 4.3515983024131426 1.6238846977565293

Pt -1.4099734683539393 -4.0220898119922266 2.0744908473911705

Pt 3.2416434489491461 -4.3354247737837559 -0.0179475908162959
Pt 4.7234334818832515 1.7335902325533283 -0.1717556381783263

324
Pt 0.6216978280949841 -2.4521281682961833 3.3181178736922972

Pt 3.1601359887222449 -3.4925287909998959 2.5434837165715347

Pt 0.5901539377831553 4.2694216865431320 -2.0408348296956786

Pt -2.7907329643804015 3.8921509716861342 4.3229269352572093

Pt 1.0373182600041988 -4.9923852026288786 1.7170061905250273
Pt 3.3268745501175747 -2.0015806809467316 -1.1923177174680779

Pt 0.4310579660031204 1.1123158720595649 -5.9453153081607386

Pt -3.8437461482756063 0.0390530127427954 0.3578571145722655

Pt 2.7889511138006355 1.8086647858623757 -5.0711774380236108

Pt 0.3352394396475200 -1.3372179876405574 -5.0175086034234528

Zr 3.6896049590713051 1.5616488574502949 2.2251181687524246

Zr -1.7973230434039118 -1.4256788451165903 2.0978806135175967
Zr 0.1725371268199345 -0.7500830096272758 5.2630222615586355

Zr -0.6207806856504214 2.5362051858015153 4.6249648442118421

Zr 2.3769777957558222 4.0785606749142467 -4.0217750462641053

Zr -1.2809240743716346 4.8585491003920707 2.4434455019342485

Zr 2.9722679700805985 -1.2448145058834104 3.8682835494516628

Zr -1.7804819113886106 -3.5658669766461122 -0.6522387673684156

Zr 0.7311259449597165 1.2668358849410712 -3.3794534866032580
Zr 2.1584131393239065 1.5143911290405836 4.6990964067252250

Zr 1.4217994763910335 3.5493154283984429 2.4837827557895640

Zr 0.9812470883943167 -2.2195930173395988 -2.6074946026150743

Zr 1.3004523222793163 -2.6408461627406750 0.6769680393747590

Zr 0.7105586375742476 0.4553037239180472 2.4055171050226232

Zr 2.4216929785036410 0.4597282627093257 -0.7245261541592205

Zr -0.3474468131928282 2.6522248417911198 -0.0057212615114422
Zr 0.7723021071756799 5.7367074940291616 0.0974314439518435

325
Zr -2.9743261405131420 1.8665747903521785 2.2838988168572092

Zr -1.5273145312098533 -0.1941757654400743 -1.1118902368066843

Zr 2.6881001007901508 3.4969515407860357 -0.4322377130276492

Pt42 Zr13 configuration: ∆E tot = 0.00 eV

Pt 3.4813837209809466 2.1254220988642971 -3.7327423492903993

Pt -2.0796392297465869 -5.2213807502831253 -0.8720010338902940

Pt -4.5965984236593700 -2.3693566927453928 2.6793438327463717

Pt -1.8284140030365816 2.0883296102896769 -2.3934797599585043

Pt -0.0165901849888965 1.8154192211088602 -5.1108690185905150

Pt -1.7809696956471694 -2.1235768326993791 -4.6803844713434817

Pt -4.6333769166129715 0.4346900930561791 2.2655670544449347
Pt 0.7233628223718287 -3.8169936733909338 2.9623224106170394

Pt 0.4134375062748208 1.1756123973976746 -1.1296933400246389

Pt 2.1226387290783495 -0.2458988741613636 0.5804664698884380

Pt 1.4479677707685172 -5.3516924861876385 -0.7039973353063348

Pt -2.9925165515510881 -0.3752131457559441 -2.3470100519949799

Pt -2.0647516618766386 -3.6633211455662233 2.7718562642052031

Pt 5.1391842447611706 0.8239669085991640 -0.8682863162539521
Pt 2.7876734714678295 4.3148099868822563 0.9616786217306325

Pt -1.0493671054829830 0.9008848376523050 1.1814338199146646

Pt -4.3971843462835496 2.9940033477247883 1.5847337865966324

Pt -4.3521110326194590 -2.6762980960945781 -2.0583048624825526

Pt 0.3998604786241944 4.4603826634830090 2.3770955381971159

Pt 0.8764877147298793 -2.4079796902648893 -4.4904026216373811

Pt 4.4591981585807074 -0.8915222254907545 1.5580448920302301
Pt 3.4874254766768362 2.9986740812833408 -1.2328044260964448

326
Pt -1.0079158237538164 4.6112627267744903 -2.4971906234013748

Pt 1.2204870779154962 2.2135730577947954 1.3114690909769051

Pt 0.0184593684319370 -1.5040263726656431 1.7980025706000247

Pt 3.6882683453401373 0.5922008009891787 3.7608244495674992

Pt 2.3954891184247376 -3.1344380236671525 0.7777151894411417
Pt -4.8106939261222097 -1.0929677996353544 0.0866420935372415

Pt -1.4207087352403360 0.6048581526828688 4.9496110216108402

Pt -2.0944689974399435 -1.3729046645870622 0.1060216548565248

Pt 3.4878254589492061 -1.8302921948188751 -3.7047613288588739

Pt 1.9207118377843275 0.0728756914357322 -4.6551103495282948

Pt 2.3705593571935455 -1.6524504719141728 3.1788003289782321

Pt -0.2088400027240565 -1.7056286027592560 4.4601665808614737
Pt 1.4242843738099995 4.7773019019468768 -1.2719351651052848

Pt -3.2284480279826053 3.8773684586619654 -0.7654446702300194

Pt -2.2288821533820138 4.7522131978333197 1.7617279704365274

Pt -0.1981372187109369 2.9408228284254281 4.4824314938211867

Pt 0.1039664918230332 -4.7790540382154143 -3.1066598764463809

Pt 4.1139320634541177 -1.8562762929739247 -0.9452174491237971

Pt 0.2912575287344938 -1.5489211197590944 -1.0503011352148037
Pt 2.5516863634464388 3.0308447968193835 3.4519668869538602

Zr -1.6696846508094123 -3.0322370028981225 -2.2987664627969568

Zr 1.9376619877882066 -3.1691025646320639 -2.0824401685476435

Zr -0.4572786125927419 -0.2058887170926565 -3.4390583818495859

Zr 0.9525090886728012 0.7015229936742916 3.5182839191702895

Zr 2.8288827247818094 0.1919068128458893 -2.0213235697804155

Zr -2.2202067493425344 2.4134514347254457 2.9059684707051385
Zr -3.3439720178770895 1.2737301049983676 -0.1258467769540718

327
Zr 3.8681853977848877 1.6980566671499477 1.2437200958750509

Zr -3.5527402975187639 -3.4557047452462455 0.4930422446318429

Zr -0.2610644491650729 -3.9247080684761584 0.5474195975916017

Zr -0.7020350508900006 3.6108189912718447 -0.0618908591315604

Zr 1.0729241207656091 2.8687528803622970 -3.0256651596937534
Zr -2.3891149343590397 -0.9559224527522557 2.9152312135456580

Pt42 Zr13 configuration: ∆E tot = 0.89 eV

Pt 4.0348018766442939 2.2710350674437865 -3.9320887867135550

Pt -1.8985457362064586 -4.7307010476823796 -1.0897785474378363

Pt -4.6181080834693242 -2.3763530795658947 2.9648423857461923

Pt -1.5871986030817744 1.0752497737698792 -1.6428252406271238
Pt -1.1527486116581123 2.1237921833124394 -4.0844724156519785

Pt -2.4092306482278767 -0.2992329533836435 -4.0820218855252985

Pt -4.7701513436655754 0.3025330909241508 2.5870671500082469

Pt 0.8445401412565838 -3.7470209561519208 2.9509192787510985

Pt 1.2760192769795362 1.3325858733128304 -1.5093694564807176

Pt 2.4477681789293930 -0.6563672813434276 0.2242711012749599

Pt 0.8331050599837904 -5.0916835889403904 -0.8342256224197423
Pt -3.9624179375733073 -0.5628235077514954 -1.9562295754726531

Pt -1.9085486371929938 -3.6995285599325665 2.9620916076720025

Pt 5.5896924337237257 0.8658639146268530 -0.5107514099051310

Pt 2.2383591052315603 3.9514393792853117 0.6791520230157834

Pt -1.5282490735646526 1.2801510135061496 1.2830380763556493

Pt -4.9461505491184292 2.8411443288880425 2.0192242285471682

Pt -4.2465321252733341 -3.2675719003381185 -1.6310759617306783
Pt -0.0043538517231674 3.8113628175395280 2.1170453623635783

328
Pt 1.3080118224946313 -2.3223841480670511 -4.5718162234465947

Pt 4.6323398460358556 -0.9214204799499224 1.6407318269217601

Pt 3.7436178864994183 2.8796170420274012 -1.2644013332147690

Pt -0.5450929430179350 4.5373579954116900 -3.1583330744672846

Pt 1.1528553869849383 1.5941542638611215 1.1600034526038119
Pt 0.0501233433416923 -0.7940414922434296 1.7245711221254485

Pt 3.5566809617932442 0.6111791122785308 3.8204122077697296

Pt 2.4724560700984277 -3.4398813368341687 0.7267217139301555

Pt -5.0004730753222342 -1.2740277345487878 0.3980533012715002

Pt -1.5294732755531164 0.4805159690509346 5.1044740580409327

Pt -2.2061246636165359 -1.1852002202771312 0.1594057009225001

Pt 3.8017852544433133 -2.0604874861460938 -3.4674823608501608
Pt 2.6028726519925378 0.1518400190790819 -4.7085867803409567

Pt 2.3550815853736360 -1.5888845477653670 2.9714873659354568

Pt -0.1800563258589570 -1.7088181325148706 4.3566342401169411

Pt 1.7674008953590710 4.6580593086056803 -1.8172120589263070

Pt -2.8991285123022843 3.4205482363949433 -1.6347432320739497

Pt -2.5138273438430341 3.7764148502880563 1.0737484781253759

Pt -0.5519740482088629 3.0003809414082458 4.6088143393129259
Pt -0.1265690488519773 -4.1776343220949519 -3.3200134652902786

Pt 4.4094130908012650 -2.1063732595677673 -0.8481854598602946

Pt 0.1313776895087379 -1.0567900044840779 -1.0801809410781313

Pt 2.3454601675698079 2.9959996283119428 3.2474552351522536

Zr -1.8189661513051056 -2.4175154811645778 -2.4287828119218400

Zr 1.8293716230134660 -2.8828658314511766 -1.9283990192167746

Zr 0.2280205548244789 -0.1675281921621443 -3.6746696834691104
Zr 0.8397418109275459 0.7955189427376514 3.7826683502265812

329
Zr 3.6623256142147049 0.2002840094802383 -2.1454761714672284

Zr -2.7090253666323614 2.2672757599374269 3.3364737006495577

Zr -3.8241707776779643 1.3274165334415176 0.0427642776773017

Zr 3.7944117247705682 1.5414932226016096 1.2518043188453110

Zr -3.4627006804962983 -3.4294778833841586 0.8205560822988308
Zr -0.2753137624845728 -3.3393812607224116 0.6914388433921889

Zr -0.3917170503041099 3.4457500082000325 -0.7121085155856032

Zr 1.5000733376860576 2.7843933801049663 -3.6378149257638963

Zr -2.3808591642519312 -1.0193619773621161 2.9651751298846509

Pt42 Zr13 configuration: ∆E tot = 3.36 eV

Pt -1.1706226373088386 -1.1673429301651463 -1.5601286911766572
Pt 0.3262996227851997 0.6534437385478827 2.5095791985768310

Pt -1.9181837593259845 0.3235879637241555 0.9614237367159129

Pt -3.7420714087455740 -1.5930706604081006 0.1952769504242704

Pt -4.1659909038738192 -0.5045680743076540 2.6813959505752232

Pt -5.5891457028929494 0.2536331727863557 0.5581233959736103

Pt -2.9507557967833695 1.6770267073842478 -4.1559882214219774

Pt -2.7533408548176799 3.4086450272051891 3.2036166168627442
Pt 1.5393682159368607 2.7156680116399983 -4.1516478041593805

Pt 1.2580314860694555 -2.5783383034365652 5.1045964616509405

Pt -1.7395903207760741 -3.3060806760681185 -4.5131527761183738

Pt 2.6605797491041581 4.4707987966340328 0.1272466334114577

Pt -2.3638117164436498 3.9496751598746345 -0.5213788692501560

Pt 3.1618883555053112 -2.9829485060124608 0.1966020777483670

Pt -1.8539186730235999 -3.3982481328960699 0.1599751739133246
Pt -2.8093891251847372 -1.2946640159821055 4.8289609639406290

330
Pt -0.0427601285578023 5.1800908879133702 0.1282777736277019

Pt 0.7911741503206142 -4.1689071177168540 0.0183786983977832

Pt -4.5454627925821569 2.4905679415540494 -1.2916768341815434

Pt -0.7116050484009977 -1.1007672361151304 -5.9826294573717282

Pt 0.0069112431530696 -0.0411556374466481 5.1920374746783278
Pt 1.8423545156995826 -3.3124034874252271 2.5427393069720079

Pt -0.6082388531891072 -4.4841465582048254 2.2719927953139614

Pt 0.1258949736568409 0.7817366207090163 -2.8281524035008934

Pt 0.0530445728045945 -1.7018812282395839 0.9365942262695064

Pt -3.1900111036121079 -2.7643532276773026 -2.1804265477198319

Pt 0.6393205706472143 1.1954023669201819 -0.1683048476377273

Pt 1.5509508663224663 -1.2235840530989304 -1.3763793445453409
Pt 2.3999680684540290 -0.5127614556517964 1.1564446688195724

Pt 4.3466679016354419 -0.6183862973248874 -0.8045028493453963

Pt 3.5940759384093321 1.7233339944701260 4.0082494485855600

Pt 1.9722110988633401 -0.0067136823359969 -4.9112195858443775

Pt 4.8175497697353080 0.4831792996363947 1.6654508674247361

Pt 3.4722705231160371 -1.5617895717504648 -3.2413133183454184

Pt 4.2661070704862709 -2.0651966305201181 2.4419934798461336
Pt 4.5235498246028669 2.1606749083821954 -0.4884870217084646

Pt 2.0719854863929750 -3.7334784864156614 -2.2478023364051287

Pt -0.6239999990602885 -3.9454141551045705 -2.1970168413907336

Pt -4.2615535864171079 -0.1494229037513132 -1.9861404886843836

Pt -2.9738871351451626 -2.9767252931225112 2.4848448250937745

Pt 3.3177562928455582 3.6584428272846639 -2.3886748052898943

Pt 1.2955217267011105 4.2124460877066712 2.5786842847501825
Zr 0.8472059657360089 3.4536398517847733 -1.5469333645889372

331
Zr -0.7518592624164742 3.0216372603716808 1.4380742956549264

Zr -0.5184189470699041 1.3517569063092809 -5.2349638827267873

Zr 2.8861513947155681 0.9443500168914670 -2.3279039958858894

Zr -2.5275485378418243 -0.9023792338211915 -3.9198714749086880

Zr 0.5914322286421336 -2.0131797752694620 -3.7254283873770069
Zr -3.9390944585219931 2.0144877415262403 1.1838655240480882

Zr -2.1342686410071114 1.4544343315186028 -1.5265118252969494

Zr -0.7082742503230295 -2.1487326616028763 3.3743211031116411

Zr 2.5254153962540609 -0.7157968457015594 3.7923297856745544

Zr 1.1441450470611583 2.2957497422663140 4.3993051676274586

Zr -2.1413777221368382 0.9366827623664494 3.7410662053573569

Zr 2.7073493098015997 2.1613447121651532 1.3951888838350903

Pt42 Zr13 configuration: ∆E tot = 5.87 eV

Pt -0.7465280727759113 1.9808033862313492 0.4900356860177913

Pt 3.8562801006424277 1.2849864413913734 1.6317775912307844

Pt -1.4316019527478918 -0.2924062166528587 1.9010341175578565

Pt -3.9325130487242266 0.8779279030313856 2.7511649669434042

Pt -2.0720166838191947 -2.6976204255292315 5.0142891745335829
Pt 3.9246511350086646 -1.9965276141206745 -4.1590376190366092

Pt 4.0217843722384057 -1.4052796699039563 1.1111440654336779

Pt 0.6347378140492762 3.3091005861049383 4.1306268506896213

Pt -1.8260816024831090 -0.1609783258919550 -3.5669542693632930

Pt 1.5780126166662196 4.4625385833403017 -3.6078626514537855

Pt -1.0158024765278331 5.0101197490366820 2.5500517657426944

Pt -3.7944631231891410 -2.0974202253076384 -1.9726579098911539
Pt 2.8210738574131735 -0.7292114176590816 3.5813542653431774

332
Pt -3.5369412672557790 1.8797120846396693 0.2908078402319895

Pt -0.7879988982047711 -2.5567490519122145 0.4743321342926384

Pt 0.1301042165554688 0.8990912476015238 -2.0245720969219856

Pt -0.0812457484627861 -4.6440075945271184 -3.7758355611067027

Pt 2.8182434245522812 2.1244629102485022 -2.4782889776573138
Pt -3.4199488977341250 -3.2321514958787758 0.4241163953237198

Pt 0.7239635287287934 0.5557077932691723 5.0798219494083705

Pt 1.1532007458504747 -1.4655540716905706 -1.3951993499518944

Pt 0.2830452196375743 -4.8047334402291932 -1.2147955330957525

Pt -2.1947650572860287 2.4295817790627496 -2.0567914174189350

Pt 0.1442279804883721 0.4519497302045548 -5.4692512368209796

Pt 1.3157669331935065 -1.1927153171895897 1.3448093378648882
Pt -2.0671334676170634 0.1211753206831728 4.5864235452606872

Pt -3.5321849704141730 3.7984365095592296 2.1774379129455501

Pt -1.7195337453184809 -3.9712484959717869 2.7230710761961636

Pt 1.0367517799041845 1.1753555653726890 2.5632436953063125

Pt 2.4944345191014348 -3.3898857279441414 -0.0991970585120606

Pt 0.6796039667814194 -4.1105585097210389 4.0893851262923713

Pt 1.8598885914097902 1.1870306435316762 -0.0805874171589375
Pt 0.8185683923975854 3.6083748899765795 -1.1855095803861100

Pt -1.0746929813744917 4.8481688942025647 -2.5210581451561889

Pt 0.1906772330353785 5.8275684154613208 0.1947497695390444

Pt 0.6851825640181824 -4.7152360872823857 1.4461073206275619

Pt 4.1140131053420985 -1.6607715548457180 -1.5673586069017911

Pt -4.4045760727287391 -0.6869129448563116 0.4947880205343133

Pt 2.1745387218861563 2.2102163139491098 -5.1019277792288440
Pt 0.0691526027264241 -2.0579955132170595 -4.5720366070543710

333
Pt -1.8731761076618998 -0.3553247526561393 -0.7423589224510460

Pt 3.4165961064393766 3.4764356509880456 0.0869577833748286

Zr 1.9994275053651815 -3.2862794319857982 -3.0349927010425399

Zr 0.0160437283344574 -1.5615521965326538 3.7850893693461081

Zr -0.1589395412040152 2.6447722753005194 -3.9720452947652229
Zr 1.2449758970414475 3.6929635191588175 1.5142659292033049

Zr -1.9036560300632548 4.2816991033338434 0.0855482587463122

Zr -3.3334375042604254 -1.7392280421632849 2.8325901839219232

Zr -3.9880269858961217 0.5586850045851348 -1.9864110604528942

Zr 4.3451896227783662 0.7604953966113694 -0.8680570254758772

Zr -1.1692895279034108 -2.5949787921603558 -2.2641417355712856

Zr 2.6815718231574603 -3.1411094910524127 2.6119708854604373
Zr -1.5378978328864807 2.3330800180270956 3.0738751977317524

Zr 2.0740110613227696 -0.1269803653429961 -3.7197525898163799

Zr -1.7032675695269948 -5.1170229426784255 0.3958109315910866

Pt42 Zr13 configuration: ∆E tot = 9.20 eV

Pt 2.6234791559037860 -3.7757795973324120 -2.7257813539334870

Pt 3.7416613831713277 1.1934106496394765 1.9618367816181552
Pt -1.6367202632511124 -2.1346907313744579 4.6616927280693918

Pt 2.7957459314766822 -0.7055007303507024 -3.9933610041307497

Pt 3.9891533387534479 -1.3731311174159329 1.0072490411505390

Pt 0.3452494468272023 -0.2740376842993397 4.5580232617635890

Pt -0.9802674547600021 2.0460700880674967 4.1434065776856475

Pt -1.8413697147859183 -2.0288732774677056 -3.2027879979561384

Pt 0.0063264921084225 4.1424959738118350 2.5731643833144040
Pt 0.2483667760933996 3.3919586903392105 -4.2487308260114123

334
Pt -3.9919504791574298 -2.2231622052112199 -1.5888980463122404

Pt 2.7116602843255975 -0.8944965470361081 3.3559913015956178

Pt -3.4109414145682480 2.1629511631058467 -0.4709126832422636

Pt -0.0937945835873451 -3.9898760253231513 -3.5095914851526708

Pt 3.8233638841425575 1.4233087644505549 -2.6664256968133508
Pt -3.6128565328198250 -3.6778804469411694 0.6894486686318210

Pt 2.4043030804224883 1.4896395022101405 4.3908856783992842

Pt 2.5749316519177738 3.5838779211443370 1.8615181918367487

Pt -1.9047395098373330 4.3295731670083359 -0.4336171709929341

Pt -3.7913503666988562 -2.0127520037406681 2.8082137755046639

Pt 0.3524524960347946 -4.3660214514711084 -0.9309634457056882

Pt -1.4811609462995023 2.5014638041693633 -2.3328872722349865
Pt -2.8454668753364047 0.1284497078281692 -1.9894584684842040

Pt -1.5011050222147504 0.5760575603288762 -4.1803996961365346

Pt -3.4153529069881245 -0.0478879911672108 4.6559842407917227

Pt -2.3045623053670341 -4.5022248767823454 -1.7608847829928347

Pt -4.8993340398399203 3.0189853456353166 1.5200634836181710

Pt -1.3897066629759309 -3.3523834772336683 2.2605457604982413

Pt 2.8060380225887172 -3.5787695964607975 -0.0962542942165238
Pt 5.0111891893231357 0.6102819010214393 -0.4157799087102513

Pt 0.7647296706153326 -2.8735451558986211 3.8091419506056332

Pt 3.0895127770430633 -3.3682271547601728 2.5436770125442032

Pt 0.3015256056434539 5.0463307971695048 -2.2011252142420425

Pt -0.0585067785422155 5.9413348817675473 0.3758477476297888

Pt -3.6708998691489172 2.4908506544932738 3.8931072225814156

Pt 0.8889652248841400 -4.6877940112643115 1.6358861860875840
Pt 3.7900448236151107 -1.5257567766631110 -1.6699751680636179

335
Pt 0.4296783555866965 1.1125308507596987 -5.9444618635130908

Pt -3.4982467355076268 -0.3802244901477208 0.5830205503028715

Pt 2.7241883694872997 2.2061167327549942 -4.9213129162384988

Pt 0.2318371680990992 -1.4470281076230505 -4.7929053159650170

Pt 3.4658922177312035 3.0662372272483385 -0.5746310815948755
Zr -1.6518722796132637 -0.3886151611098922 2.7390640974751341

Zr -4.8292588734705140 0.6334066668147802 2.5556009998646778

Zr 2.5315770654365708 3.9081304534327632 -2.9636406899961707

Zr -1.5539588978242649 -5.3729499370754707 0.5889876959649859

Zr -1.6837772503200257 -2.3297198879593521 -0.4384370049421046

Zr 0.8963546481113469 1.0495346846246338 -3.3490336665070140

Zr 1.0164964429143821 -1.9285151793907813 -2.3224733997077487
Zr 1.1595645415589444 -1.9823855790288532 1.3380258382309169

Zr 0.9434969029575710 1.4791815930094563 2.3367247341472486

Zr 2.4555594062135753 0.5584837967024345 -0.4305306858892119

Zr 0.7874409791749541 3.5604108741756040 -0.1127655521683574

Zr -2.1033834688498758 2.8759878618331571 1.7499834780554642

Zr -0.7602021003976405 0.6951678869827465 -0.3290646961139056

Pt42 Zr13 configuration: ∆E tot = 11.61 eV

Pt 2.8580494234253755 -3.3279179712818632 -2.9495989371929037

Pt 3.4937129027019886 1.2056109900308911 2.0415666998875244

Pt -4.8250751640151721 2.3318263834801769 3.4451284380021283

Pt -1.8093903328988266 -1.6941746555710324 5.1977720854931553

Pt 2.9397388355675980 -0.7774836225084414 -3.8446354575848583

Pt 3.9016549843481720 -1.4220849163778553 1.1776251303401599
Pt 0.1448949705638875 -0.0878419372660915 4.6786951798975274

336
Pt -0.4218205551968570 2.7257564579056748 3.9851853512936790

Pt -1.6770278479398801 -2.0147588376954104 -3.3942645755002028

Pt 2.0697104943203635 3.4532071965757041 -2.5791869619665286

Pt -0.0884612738245754 3.1650831080199850 -4.3861811977759126

Pt -1.1955958849319448 -5.6350227482142259 -0.2171924100511698
Pt -3.8823335384913640 -2.3445550347088897 -1.8763394570642768

Pt 2.4568523783908653 -0.9539171205873913 3.4105490199720911

Pt -3.3097091796985842 2.0001617715487896 -0.1635963730489190

Pt 0.4546436515679539 -3.7762237105691838 -4.1878821175275940

Pt 3.8606342827744746 1.4430318848542925 -2.4028299528469157

Pt -3.5639289521993169 -3.0806227157530657 1.5943420156124084

Pt 2.1316202545098739 1.5865416489025392 4.3202966090185404
Pt 1.5120104539873915 3.4319542223804547 2.0912844750026061

Pt -2.1261248665609265 4.3335739700543741 -0.1830036252941492

Pt -4.0553303283281226 -0.4563455545871875 3.1935717026578194

Pt 0.8186750316746776 -4.5767495234604780 -1.5736228537334833

Pt -1.5440096788227013 2.3914238444818920 -2.1818113964222485

Pt -2.8426927363996106 0.0750981441306635 -2.0473606418749037

Pt -1.4230690413781393 0.5975935832621531 -4.2237666668182934
Pt -2.3337243947646562 0.9961109120806100 4.8535039181535202

Pt -1.6540558309245601 -4.5904709661897414 -2.6887657271301046

Pt -1.0933850862190841 -4.0857560062149787 1.9785935533782144

Pt 2.9518956298579746 -3.5063790241849233 -0.2984160378496919

Pt 5.0482808508132306 0.6198754919565204 -0.1370231622389762

Pt 0.4248716876770169 -2.7114756920045693 3.8047674222044483

Pt 2.7603069844046240 -3.4638091381595473 2.4643469282559458
Pt -0.3503315490847829 4.8046918316076699 -2.3549893139077804

337
Pt 0.0376474627900671 5.8527688277667949 0.1561009594580973

Pt 1.1410748331884999 -5.0422196206846479 1.0283930534996406

Pt 4.1161012703269106 -1.4731720855388630 -1.5682786254204339

Pt 0.5854971165679268 1.1080918901379846 -6.0280552792662698

Pt -3.4541864886185727 -0.6498791786692095 0.4881167027368027
Pt 2.8569534679793400 1.6816043850466258 -4.8144548157786327

Pt 0.4534574697435738 -1.2796126501784784 -4.9268636186826180

Pt 3.1578560873073820 2.8686534109428976 -0.1263357730135946

Zr -1.7349781933506254 -1.5358404808179671 2.6687481581117671

Zr -1.0369622688205571 4.5784009705264452 2.1761877862580086

Zr -1.8931964299747481 -3.1133936600517131 -0.5475664587586531

Zr 0.9358144120394651 1.1042078873099967 -3.2379569447760028
Zr 0.8077739807704372 -1.9783561538573053 -2.2953762105759248

Zr 0.9698897415737544 -2.3144812564183894 1.1169164816909491

Zr -4.1032954566858821 3.9528612516517683 1.5426389229100286

Zr 0.7528547449866261 0.8842096599908018 2.2146590173681906

Zr 2.4713948640804282 0.3009767897963798 -0.4000789760706463

Zr 0.5774173280371480 3.2683640524791144 -0.4209697711240930

Zr -2.9105618006745408 3.5363764206254586 4.5516461748094192
Zr -2.5020982200514914 1.4695211273477753 2.2240370704819119

Zr -0.8599404961215076 0.1249661466570160 -0.3482695171988022

Pt42 Zr13 configuration: ∆E tot = 12.66 eV

Pt -2.8216309108469271 -3.2529247019301986 -5.0350037023488410

Pt -0.9645088489777501 -1.1213176346930434 -0.8579878725203207

Pt -2.6470297112443357 0.9869444042665538 -2.7780477946514086
Pt -0.4398838966544711 0.3562363953305683 -4.0845670282549333

338
Pt -2.8277888187523739 -0.5816090499779714 -4.9591342420224107

Pt -5.8412543955098561 0.3099317354227358 1.2789166462844628

Pt 0.9104068238456696 -2.6965454713169104 3.2012843408318101

Pt 1.4469197571271981 0.3350828201400606 -1.0468840738952940

Pt 3.5962445618322891 -0.7038968407138961 0.4309452941231962
Pt -4.9150961063996936 -0.2826864688935027 -3.3391620024412507

Pt 6.4668607139494663 1.4446190882228214 -1.3515789833147187

Pt 2.3670242104410550 3.1929040786194225 1.1606554967730653

Pt 4.0973466636209501 0.5480302708662368 -4.6906697431435971

Pt -0.6592751288252495 1.0735014025870830 0.6268539551683057

Pt -4.6644475906445626 2.8882091019611087 0.8193109957815545

Pt 0.3567288157740270 2.5751956113237799 2.7873771436316499
Pt -0.5057912826142749 -1.9988046849768759 -5.2744146392233899

Pt 4.1080758822820309 2.8251419952974564 -3.0859112863985931

Pt 4.4724725728055938 3.0180380250372725 -0.4702163015894689

Pt -0.3756828446696043 2.1284999530925850 -2.1613652406620734

Pt 1.3831457873859496 -0.1967705101920112 1.7446219103004432

Pt -1.1849330186765950 -1.0212821235572571 2.3004059160982049

Pt 5.3822525550555094 0.8725293356073127 3.7180990818468924
Pt -4.7920186964850648 -1.3059267108533570 -0.8547629999172932

Pt -1.2896915600503074 0.1827863850003544 6.2681144433173488

Pt -4.1268142711661602 1.4715314131841799 3.1082180039151606

Pt -2.7920803417716864 -2.5495665566112118 0.5740188655543557

Pt 3.5919974506973591 -1.8577179053133657 -3.3689195731298671

Pt -4.9064236621418393 1.3767049921163155 -1.3039738231976890

Pt 1.7937000551032090 -0.7110113193521963 -5.1699505575137534
Pt 4.8111280449571687 3.1244055543916991 2.1350148913900222

339
Pt 1.9751578965063961 3.0769800544664170 -1.4098498080040349

Pt -0.0391420217761217 3.5364916756905407 0.2230324410594358

Pt -2.5196701082034063 2.7716535552533221 -0.7603719649107552

Pt 2.0552124464778605 -1.5882628800471545 5.2848672877907399

Pt -2.1580779499500475 2.9265162705206924 1.9202438604169083
Pt 1.8303424486040787 1.5260088231642319 -3.5649154667616560

Pt -1.7585455432785646 2.0090628492669955 4.3590471330478424

Pt -0.8843561219396813 -3.8435113205635227 -3.2048092477227872

Pt 1.3949306331947997 -2.3703654904678340 -0.0225760905071957

Pt 2.8031554983824027 1.7049987514903640 3.4386507379414777

Pt -5.3295852356487279 -0.9351540770333893 3.7592773022378676

Zr 0.8890656090793488 -1.7219085415139554 -2.8998656257491096
Zr -0.7296496689573425 -3.7926748275335465 -0.7111249290230239

Zr 1.6122958852115450 -4.3425244511479102 1.5735365242097055

Zr -2.7807547777158628 -0.4531898817166686 4.2222047285938986

Zr -3.2418945155548680 0.5194028288122174 0.6329047730233037

Zr -2.7863219342888281 -1.8725273225507246 -2.7310973836789660

Zr 5.5087527835527732 0.9695866814786589 0.9934434542364465

Zr 3.7535158535342750 -2.7781481433600854 -1.0627136423433490
Zr -5.2176990231585654 -2.2011928169435189 1.5664160846907202

Zr 3.4819230771896561 -0.7830136699340935 3.2965771256037240

Zr -1.4412313826361536 -3.6158606761111693 2.5262467963901170

Zr 0.4730327593140334 0.3468356419835192 4.2963183603492796

Zr 4.0795905826142835 0.4805643827108659 -2.0467295716821443

Pt42 Zr13 configuration: ∆E tot = 13.84 eV

Pt -3.6262494595432688 -0.8141662830827975 4.2770973197415323

340
Pt -2.8328268940606538 -2.4281617938160158 -4.7772657721495726

Pt 2.6352135398006933 -3.5208713963318266 -1.1536212055451036

Pt -1.3475278670011421 -4.1045639560732203 -0.5436090322770574

Pt -2.5022138800563400 1.9149927911732227 -2.8070991321718530

Pt -0.4917430997719040 1.4565701545310965 -4.5784805851022803
Pt -2.8740082461596419 0.3095113057231521 -5.0247822424782349

Pt -4.2414893523887347 -0.1668761174478411 1.5809301230065140

Pt 0.9157020900859633 -3.7616860371437175 0.9373663639571000

Pt -4.6023515497586320 -0.9450183159667765 -3.2547296772513015

Pt -1.2342774894568238 -2.2047363658517289 4.6648495681125706

Pt -3.9363551716068148 -2.7134701364660279 2.4314981790795978

Pt 5.4740249570229960 0.6449183162836113 -0.2535442146959176
Pt 2.7651086155178088 4.6230478035836207 0.7872950425505146

Pt 3.8280732711533458 -0.6547133398423873 -3.6525708061787974

Pt -3.5396852133860168 2.1437454901679196 0.6625719200713470

Pt -3.3567803970595467 -3.2845296353361411 -2.2678138416033526

Pt 0.6584022930629115 4.6493142575326267 2.6629861168900710

Pt -0.4249822093748409 -1.3199039063953384 -5.0268547289673471

Pt 3.9183608657274274 1.5104623454948189 -2.2470785002819262
Pt 4.8152561463015697 3.3802049012725099 -0.4472908922430711

Pt -0.0548379754990921 2.9594141476078910 -2.3664757539087269

Pt 3.0845381580052047 0.5863607573740984 3.4402547142833564

Pt -5.3214051145502683 -1.9483403581309764 -0.8164740803920231

Pt -1.3968732574919700 0.6757262599852430 5.0663410185685542

Pt -2.9721897717593695 1.6246949352393933 3.1445255022813976

Pt 1.6627957393151178 -2.1865246652738071 -3.3775920613106756
Pt -4.0360440875135826 0.3827493593031964 -1.1222103729741055

341
Pt 1.7605516837447139 0.0568886747951644 -5.3084622569293138

Pt 4.9723708346636410 1.8803572774951256 2.1288528945917768

Pt -3.9347258632403825 -4.2596155107449496 0.2587447914729105

Pt -1.3692806242565980 -3.3398543528994784 2.1174988580824596

Pt 1.1322288045008604 -3.1426881313419832 3.4564403007523232
Pt 2.4064857653012748 3.6598205528669503 -1.6879819074107407

Pt 0.3858018483169189 3.7928803134549165 0.1340630015955108

Pt -2.1110062250641111 3.6626349673148759 -0.8339700641128579

Pt 0.8358640815983361 -0.4995318247481598 4.2885497962669215

Pt -1.6441048159745806 3.5576972903964910 1.7906101100516036

Pt 1.9810779821491338 2.5607833005049550 -4.0707415863342327

Pt -1.2847733008458222 3.3099794263588258 4.4176957235229688
Pt -0.7760431965629752 -3.2532261499170678 -3.1011143561300933

Pt 2.8112922947506060 3.1707918503085928 3.0416632764827805

Zr -1.9968498147366149 -0.7661913380733970 -2.9028333018570684

Zr 1.5453066421231851 -1.0273064708068338 1.6676906355930907

Zr 1.3384946078181088 0.4828792611000273 -2.7844637122798268

Zr 2.8933578762580989 1.9322873278017489 0.4629916699348097

Zr -1.1021180928506256 1.3141543315369866 -0.2996615867576756
Zr 0.4395963813923799 2.0541668004690798 3.0910111289770761

Zr -1.6322483892624378 -0.6711482867214748 2.6788618595150560

Zr 3.4806695427842440 -3.4529559342948479 1.4283729847758233

Zr -2.9015799193368341 -1.9264245029400646 0.0465345465020769

Zr 3.1219024892179048 -1.9227659472810634 4.3225908755152354

Zr 3.6458413646278016 -1.1228675537725641 -1.0529364505359771

Zr 0.3207153823720886 -2.1042631808299026 -1.0696555004656110
Zr 4.7155380209572879 -0.7546327081457341 1.8414253001697640

342
 Pt42 Zr13 configuration: ∆E tot = 18.48 eV
Pt -4.5312917607779521 -0.0000000000000058 -3.2488363575722201

Pt -0.0000000000000059 3.2488363575723809 4.5312917607779450

Pt -0.0000000000000059 3.2488363575723809 -4.5312917607779468
Pt -0.0000000000000059 -3.2488363575722272 4.5312917607779450

Pt -0.0000000000000059 -3.2488363575722272 -4.5312917607779468

Pt 3.2488363575723809 4.5312917607779424 -0.0000000000000038

Pt -3.2488363575722246 4.5312917607779424 -0.0000000000000038

Pt 3.2488363575723809 -4.5312917607779548 -0.0000000000000038

Pt -3.2488363575722246 -4.5312917607779548 -0.0000000000000038

Pt 4.5312917607779424 -0.0000000000000058 3.2488363575723826
Pt 4.5312917607779424 -0.0000000000000058 -3.2488363575722201

Pt -4.5312917607779521 -0.0000000000000058 3.2488363575723826

Pt -0.0000000000000059 4.6669524919543752 -0.0000000000000038

Pt -0.0000000000000059 -4.6669524919543770 -0.0000000000000038

Pt -4.6669524919543743 -0.0000000000000058 -0.0000000000000038

Pt 4.6669524919543726 -0.0000000000000058 -0.0000000000000038

Pt -0.0000000000000059 -0.0000000000000058 -4.6669524919543690
Pt -0.0000000000000059 -0.0000000000000058 4.6669524919542074

Pt 1.5311919391502964 -3.9005147981537509 2.3244946223831193

Pt -1.5311919391503106 -3.9005147981537509 2.3244946223831193

Pt 1.5311919391502964 -3.9005147981537509 -2.3244946223831247

Pt -1.5311919391503106 -3.9005147981537509 -2.3244946223831247

Pt 3.9005147981537420 -2.3244946223831264 -1.5311919391503059

Pt 3.9005147981537420 -2.3244946223831264 1.5311919391502984
Pt -3.9005147981537536 -2.3244946223831264 -1.5311919391503059

343
Pt -3.9005147981537536 -2.3244946223831264 1.5311919391502984

Pt 1.5311919391502964 3.9005147981537394 -2.3244946223831247

Pt 1.5311919391502964 3.9005147981537394 2.3244946223831193

Pt -1.5311919391503106 3.9005147981537394 -2.3244946223831247

Pt -1.5311919391503106 3.9005147981537394 2.3244946223831193
Pt -2.3244946223831291 1.5311919391502964 -3.9005147981537491

Pt 2.3244946223831175 1.5311919391502964 -3.9005147981537491

Pt -2.3244946223831291 -1.5311919391503079 -3.9005147981537491

Pt 2.3244946223831175 -1.5311919391503079 -3.9005147981537491

Pt -3.9005147981537536 2.3244946223831149 1.5311919391502984

Pt -3.9005147981537536 2.3244946223831149 -1.5311919391503059

Pt -2.3244946223831291 -1.5311919391503079 3.9005147981537438
Pt 2.3244946223831175 -1.5311919391503079 3.9005147981537438

Pt 2.3244946223831175 1.5311919391502964 3.9005147981537438

Pt -2.3244946223831291 1.5311919391502964 3.9005147981537438

Pt 3.9005147981537420 2.3244946223831149 -1.5311919391503059

Pt 3.9005147981537420 2.3244946223831149 1.5311919391502984

Zr -0.0000000000000059 -0.0000000000000058 -0.0000000000000038

Zr -0.0000000000000059 1.6473181992708823 2.6337886811862528
Zr -0.0000000000000059 1.6473181992708823 -2.6337886811862607

Zr -0.0000000000000059 -1.6473181992708992 2.6337886811862528

Zr -0.0000000000000059 -1.6473181992708992 -2.6337886811862607

Zr 1.6473181992708823 2.6337886811862510 -0.0000000000000038

Zr -1.6473181992709018 2.6337886811862510 -0.0000000000000038

Zr 1.6473181992708823 -2.6337886811862679 -0.0000000000000038

Zr -1.6473181992709018 -2.6337886811862679 -0.0000000000000038
Zr 2.6337886811862510 -0.0000000000000058 1.6473181992708843

344
Zr 2.6337886811862510 -0.0000000000000058 -1.6473181992708972

Zr -2.6337886811862652 -0.0000000000000058 1.6473181992708843

Zr -2.6337886811862652 -0.0000000000000058 -1.6473181992708972

Pt42 Zr13 configuration: ∆E tot = 23.66 eV

Pt 0.6724981138383151 -0.0000000000000021 0.6563520391286521

Pt 0.3170488061282514 1.5926756956956660 2.9917739654268130

Pt 0.3041715633211263 1.3170471117784952 -1.8853359255794999

Pt 0.3170488061282514 -1.5926756956955048 2.9917739654268130

Pt 0.3041715633211263 -1.3170471117783313 -1.8853359255794999

Pt 2.0351476536527904 2.5056597298192496 0.8612975741325524

Pt -0.7991276472646162 2.2689799064012042 0.4846258636717511
Pt 2.0351476536527904 -2.5056597298192593 0.8612975741325524

Pt -0.7991276472646162 -2.2689799064012086 0.4846258636717511

Pt 3.2724676366394987 -0.0000000000000021 1.1689956717631318

Pt 2.5968197241328057 -0.0000000000000021 -1.3501271152078627

Pt -1.7711299145018988 -0.0000000000000021 1.9473261078741888

Pt -1.7346527870085535 -0.0000000000000021 -0.8697922407125021

Pt -4.1834409934470367 -0.0000000000000021 -2.4345438018393533
Pt -0.1595111177063005 2.6359175913674906 -4.4091729885440616

Pt -0.1595111177063005 -2.6359175913674950 -4.4091729885440616

Pt -2.4883146619059748 4.2803571323234246 0.3155546719079270

Pt -2.4883146619059748 -4.2803571323234308 0.3155546719079270

Pt 4.3731543853050558 -0.0000000000000021 -3.4084815111322828

Pt -4.2711792034434053 -0.0000000000000021 2.8456719194249431

Pt 0.1267256482859359 5.4588528137459065 -0.6016605383675924
Pt 0.1267256482859359 -5.4588528137459154 -0.6016605383675924

345
Pt -4.2681768241027038 -0.0000000000000021 0.2317784247741794

Pt -0.1414750594612753 -0.0000000000000021 -4.5828754219789660

Pt -2.0583792757993540 -5.2007472544890536 2.8405804018177752

Pt 1.5963159329480638 -3.6843516902741151 -2.6771081239761148

Pt -1.1742754568378904 -3.5878094924805777 -2.0578456075017537
Pt 3.9579141531989834 -2.4058266768655696 -1.6488834043880207

Pt -3.3446973180813573 -2.1798378069433579 -1.0749853156888716

Pt -4.5166972621426416 -2.4133612028284035 1.2921961290797295

Pt 1.5963159329480638 3.6843516902741107 -2.6771081239761148

Pt -1.1742754568378904 3.5878094924805706 -2.0578456075017537

Pt -2.0583792757993540 5.2007472544890447 2.8405804018177752

Pt -2.1378058236929367 1.3725881182367041 -3.3199256502432415
Pt 2.1314097300441950 1.3617117378931407 -3.8921847277372286

Pt -2.1378058236929367 -1.3725881182367135 -3.3199256502432415

Pt 2.1314097300441950 -1.3617117378931474 -3.8921847277372286

Pt -4.5166972621426416 2.4133612028283991 1.2921961290797295

Pt -3.3446973180813573 2.1798378069433588 -1.0749853156888716

Pt -3.4272679355006344 -1.4593544631986648 4.8948252696226886

Pt -3.4272679355006344 1.4593544631986581 4.8948252696226886
Pt 3.9579141531989834 2.4058266768655598 -1.6488834043880207

Zr -2.5062547440505090 2.6150076476017134 2.7499745760402168

Zr -2.5062547440505090 -2.6150076476017206 2.7499745760402168

Zr 2.5436438058665067 4.6610892969199469 -0.6822329554789743

Zr 2.5436438058665067 -4.6610892969201263 -0.6822329554789743

Zr 5.4661574702275955 -0.0000000000000021 2.3011124574070343

Zr 5.2478822881365241 -0.0000000000000021 -0.9670912116618660
Zr -1.2521356944197763 -0.0000000000000021 4.5261261156728745

346
Zr 0.0679823386690636 -4.3494747122795587 1.7022949018234683

Zr 4.6951328017944496 -2.5964146738124385 0.7340210173884969

Zr 0.0679823386690636 4.3494747122795552 1.7022949018234683

Zr 2.8334442381252756 -1.5801956404971877 3.3499651498378520

Zr 2.8334442381252756 1.5801956404971838 3.3499651498378520
Zr 4.6951328017944496 2.5964146738124287 0.7340210173884969

Pt49 Zr6 configuration: ∆E tot = 0.00 eV

Pt 2.1773002039482834 -2.6330672971042346 -2.4198584702723092

Pt 3.9050048509112174 1.2774614645669957 2.2824164065266177

Pt -4.4659310243843544 1.0384330368605519 3.2835058866346931

Pt -1.6619849764737693 -2.1081515295812365 5.1592748419117056
Pt 2.7291550160059672 -0.2545872190307405 -3.6516619574795963

Pt 4.2146856304916671 -1.1772737238395776 1.1768963259220091

Pt 0.3506923830302129 -0.4423386525173369 4.7655235012936528

Pt -0.1729513621207216 2.1258077218464977 3.9214622156641030

Pt -2.2726092642557716 -1.7291219803922373 -3.5651678552074126

Pt 2.4701339370028621 3.8474371628029034 -2.3216073569421023

Pt -0.9626864972396388 3.4280287552470967 1.7049898879642273
Pt -0.3923578831765381 2.9466907598431207 -5.1259234385631975

Pt -1.2315836588270996 -3.9746571849226640 0.2226207007769107

Pt -4.1542358874894427 -1.0028622276276038 -1.5548086965510133

Pt 2.7776747283009029 -0.9588741019589561 3.4931880078236577

Pt -4.0374318621555227 1.7495195203418192 -1.2792572094810661

Pt -1.1116572834527516 -1.2066859120279942 0.2380280729581544

Pt -0.4864840727397505 -3.1362776380825195 -2.2431744901941424
Pt 4.0700269710656078 1.6535689938769864 -2.2196645896828708

347
Pt -3.5091979677795222 -2.3895961982380682 0.5842331269390474

Pt 2.2457983714548448 1.4379560038518506 4.2781825091926562

Pt 1.6338480421658885 2.8003205647224108 2.0694772388008391

Pt -1.8996239353996258 3.3898268514537180 -0.7983396183631936

Pt -3.5044057564169804 -1.4574462280717895 3.0515874514494317
Pt 0.7329184480431709 -0.4638944903092734 -1.6974729593002489

Pt 1.2011973637401723 -4.5684407341760371 -0.7705355160558934

Pt -2.3085680762200069 2.6897106346175819 -3.2871037092785040

Pt -3.9285292936905818 0.5456093469185662 -3.7688844413691736

Pt -1.4372927620962002 0.4732304176000484 -4.7534403959863516

Pt -2.1901397067176673 0.4429883535899380 4.7040064015572893

Pt -3.0403302171856068 -3.4314380422441828 -1.7251180425300485
Pt -3.5588755647903496 2.6921433561355301 1.1609079216956801

Pt -2.6953735992564645 -3.9661098062504307 2.5359141938567791

Pt 0.7876306566876196 -0.1300545922399165 2.0060512263700434

Pt 3.8012259576247005 -3.3902221222316071 -0.3465929466960557

Pt 5.2287741372883376 1.0170230741972959 0.0102055690163455

Pt 1.2459231844502541 -3.0229594294470572 4.2608214208240538

Pt 3.1230187947872481 -3.2881900965193309 2.3408403868990990
Pt -0.2142276714547448 1.4111752884949014 0.0009918246221717

Pt -0.2481928148248413 4.2980066712718061 -2.6704681073676606

Pt 0.8410466440310588 3.8324645053222484 -0.2404712769221288

Pt -2.6317276477515690 2.9003664013375059 3.7400168134549108

Pt 0.7233505594706516 -4.3749029351576079 1.9503431373000057

Pt 4.1091306633057405 -0.9598809345910281 -1.5015336171971039

Pt 1.0501961239404580 0.7134840971593649 -5.4967926530236104
Pt -4.4031511719580800 0.0816739968789038 0.8553195517487596

348
Pt 3.0084617812034993 2.2866734498383452 -4.5159372454249000

Pt 0.3652554101420323 -1.4581259441083758 -4.1327904917834166

Pt 3.4603943914569357 3.2066651026074013 0.1037932814393047

Zr -0.7638615742754323 -2.3244917051527110 2.7945818416857651

Zr 0.8361611676393267 1.9372363325027053 -3.0790785478166849
Zr 1.5949027661883464 -2.3000889071635853 0.3930959294759008

Zr 2.5537669952300406 0.8168234528848034 -0.0266571971718786

Zr -2.0262745099805044 0.7683762182336823 2.0592494115942785

Zr -1.9279891374935061 0.3410380979815231 -1.9551842547375240

Pt49 Zr6 configuration: ∆E tot = 1.85 eV

Pt -2.2660449177808015 -2.7365331506586639 -4.3076390705853420
Pt 1.8994213328875720 -4.1898147777619723 -1.2182531572205768

Pt -0.6916479964804250 -4.7257910527000089 -0.4300671021386825

Pt -0.7060883905847515 -0.1976648811468121 -1.6747322873739883

Pt -2.6314861766995374 2.2727448573074787 -2.5276207685554120

Pt -0.5164219834318384 1.4471424256299716 -3.9377471649986298

Pt -2.6575002379991712 -0.1340572575184691 -3.5482377962598299

Pt -4.5813629112866590 0.6815236355733932 1.2062869478316678
Pt -0.4175958407399900 -0.3248572218222475 0.9453541735515182

Pt 2.3404784127736651 0.5057389943152603 0.3741194408122191

Pt 0.8825372493905537 -3.5205658444634249 1.3309071077890415

Pt -3.9218053032414115 -2.1550392359371298 -2.3725625615959167

Pt -2.4478983982139209 -2.3851637303507172 4.3872640937451273

Pt -4.2221805171559037 -3.3136169515649438 2.4547159684088022

Pt 4.6758432301635811 0.5269812034164775 -0.9998605302025431
Pt 2.8512209705988187 3.8448693203994742 0.9214428738425476

349
Pt 4.2833654757138095 -0.5615256074941667 -3.3782413925838206

Pt -3.9415766324364778 3.2875263514570694 1.2755621620015312

Pt -2.6204111821084108 -4.5052863474996965 -2.3548677452319318

Pt 1.0170438551935934 4.5583864889596217 2.6548574382682339

Pt -0.1641558967726961 -1.1830602569313609 -4.1532331704509353
Pt 4.6476611016562845 -1.0093535352532452 1.1692604712925707

Pt 3.7343987344431060 2.0184481810523440 -2.9638683770343484

Pt 4.7173749046493061 3.1553717267816443 -0.7446668139685108

Pt -0.3410883244466287 3.7524018599959197 -2.4326452549786701

Pt 3.8886753579987374 0.2516272792839719 3.4413648345090131

Pt 3.4995026621165710 -3.4116443461863977 0.8384677900391148

Pt -4.5243764860683893 -1.8509201695881696 0.2506707079989746
Pt -1.2939689913961399 0.1041179070766053 4.4714816875927248

Pt -2.6810609429782755 1.7911467210824927 3.0112923869863515

Pt 2.1177334926778020 -2.1506133907783518 -3.2070224922239596

Pt -4.1993705137669064 0.2868515937469657 -1.3952787488487139

Pt 1.9257494372998725 0.3855051315409729 -4.1057920117505979

Pt 4.4931632923855762 1.7184691229164120 1.4312041527924997

Pt -3.4907304495158211 -4.4242847883816747 0.1595197974048369
Pt 2.3648440351755529 -1.5977242960627276 2.3767614154975512

Pt -1.6497774116076140 -3.6567570409793628 1.9408756510237843

Pt -0.0872698978591995 -1.9184027332210061 3.1883030752499328

Pt 2.3799245364599404 4.0741152035463335 -1.7201250594006048

Pt 0.3673423677552012 4.2734779964565011 0.0353096591066696

Pt -2.2079595907204759 4.0927758626136699 -0.6196823420006899

Pt 1.2558259073648959 0.3108683931502529 3.8546660612286407
Pt -1.4574892615024293 3.8599755796699844 1.9702333234515912

350
Pt 1.5912540286545198 3.1039173357944438 -4.1658002465474944

Pt -0.2676997335622797 2.5490408773182427 4.1124869717742421

Pt -0.1732240610389919 -3.4428990715675862 -2.7353656609234100

Pt 4.0533797671936771 -2.0660967495701410 -1.2819915015063863

Pt 2.7342114084359981 2.6193337531881218 3.3645445151285820
Pt -3.9848091185998111 -0.0984870488466694 4.3101778808432689

Zr 1.3406984017468506 1.6764518295225264 -1.7730777938623170

Zr -2.3266827601460829 1.5243303962831112 -0.0100032549844719

Zr 0.7229589590472063 2.0745349392362815 1.7489122510872015

Zr -2.7811906217904276 -1.0440837148833051 2.2256095288494997

Zr -1.9644660547941850 -2.4230121875088511 -0.7225976315416779

Zr 1.4327316829429595 -1.7204195786384329 -0.6706724313382643

Pt49 Zr6 configuration: ∆E tot = 2.60 eV

Pt -1.5178577470159955 -2.4928657307721958 -3.8730703407186269

Pt 1.2318341726569719 -3.8307035262489419 -0.7843142401900651

Pt -0.8653273345340514 -5.0058419204736699 0.4746378832266729

Pt -0.4940853884395798 -0.4582040765675838 -2.1827757996265476

Pt -2.3501387943204421 1.6758705588463421 -2.8051581739577252
Pt -0.2508113243953490 1.6348797432214190 -4.4504401105054132

Pt -2.1773842549222988 -0.0935434265731001 -4.7726063385306823

Pt -4.2486844107747705 0.2391388051944839 1.6893736115990416

Pt -0.2392199929275490 -0.3136465661007996 0.5290987193005681

Pt 1.8991462658614995 -1.0835117442447928 -0.8553418114892730

Pt 0.6245593020690906 -3.2372212683757011 1.8260930147048413

Pt -3.1970327071062621 -0.8243402903535407 -2.4716856543106438
Pt -2.5635184066574088 -2.4920618339236933 4.8982241858178401

351
Pt -4.0739109445614750 -2.3187926680984239 2.4696054196525239

Pt 4.0780224961078542 0.7898949335497542 -0.7450219869263799

Pt 2.3316244882534529 3.5999205343659488 0.9845645687859144

Pt 3.5722033592460618 -0.5667550870005914 -3.0064825532976904

Pt -4.2491702192279908 2.8564786718052675 1.1550567465121715
Pt -3.2856586042055000 -3.4657373174984913 -2.0411046652910105

Pt 0.5109619265306659 4.3959566748419210 2.5731111795382748

Pt 0.2596083298013955 -0.9353952696888622 -5.1835612479080400

Pt 4.3014707980979745 -0.6756926203687402 1.4703006336385205

Pt 3.8688346861720064 2.2984710217787008 -2.9786975349782683

Pt 4.3873907801415095 3.3282609458605554 -0.5680977512021153

Pt -0.4423477003345054 3.4997951692381744 -2.5103885261635117
Pt 3.7680707596510081 0.4524054467372965 3.8176059494683958

Pt 3.0421177596162079 -2.8983923284938635 0.8274765934206256

Pt -4.0030341344094280 -1.6042541278726514 -0.1530985813452899

Pt -1.3988778200784915 0.1795004530955778 4.8574535051404588

Pt -2.9469345358597097 1.9058282156384567 3.3596190110998494

Pt 2.7507952596765679 -1.7129267181709065 -5.2185891752771720

Pt -3.9912120182590578 1.0304936205137476 -0.8097817000242864
Pt 2.3300105173449643 0.9027810825507893 -4.8313243642501309

Pt 4.3506008397605793 2.0190241727076517 1.7492367529467654

Pt -3.3659918768237831 -4.0269820763685997 0.6200389198161018

Pt 2.3418543824475520 -1.7106290395755626 3.0592597053897030

Pt -1.7552209983918510 -3.8441550499675001 2.7334201173086363

Pt 0.0047123137562903 -2.1823229663322801 4.2087880361894268

Pt 2.0109353199047795 3.8885311627251671 -1.5849077764757185
Pt -0.1138498171278256 3.9946004464390468 0.0360702672139157

352
Pt -2.5970702816749527 3.5364286271676226 -0.9610605085683177

Pt 1.1991088586323531 0.2512830490938301 4.4538461511640204

Pt -1.9832208554324908 4.0100714884451483 1.9549709513571403

Pt 1.6651822173809241 3.3678729815801853 -4.1873924272121030

Pt -0.3495581621675262 2.2135692250109615 3.5797348497770782
Pt -0.6403856365291839 -4.5013714231523343 -2.4449175403445214

Pt 4.5974752630438775 -1.8107594818074688 -0.9300921564069495

Pt 2.2860011305632759 2.6755892991800350 3.5501821848035586

Pt -3.9686001347017474 -0.3414330933444233 4.2726128320439098

Zr 1.5120802584074302 1.3566409296320872 -2.2367916628968896

Zr -1.8424939134146769 1.7147140465439488 0.7139302539392214

Zr 1.9151731192563068 0.7076430496871716 1.8302511135972852
Zr -1.7684291111293686 -1.0583306001524495 2.6246619777706943

Zr -1.3132903499739048 -2.6586451855791760 -0.5831093886318788

Zr 1.1535428710165765 -2.3811289183449409 -3.1494131186939001

Pt49 Zr6 configuration: ∆E tot = 5.13 eV

Pt -0.0373258717496941 0.9468621266276593 2.1940677847944432

Pt -0.6328483328558507 0.7777746376197663 -1.6355130787414092
Pt -0.6033485567287828 -1.8230838817810215 -1.8098687811614391

Pt -1.9358964329772237 1.6897497373775630 0.4612864728934813

Pt 1.1029703986585202 -2.1422455905386548 0.2096054415848461

Pt 2.1536432860364907 0.1439526733231653 0.9704939119029936

Pt -3.8113444470866189 -1.3310265601940521 -0.2414332937060217

Pt -4.1075027084754439 -0.0085420625717254 -2.4906186792232727

Pt 0.3164575120477717 2.8668911913932313 4.2714263102812184
Pt 0.0905769155449076 2.6766193045022058 -4.1943726619194566

353
Pt 1.1940438045960160 -1.8321761870027919 5.6491470360328178

Pt 0.2886726845992126 -2.4967568622769725 -4.3546104700488089

Pt 2.8546314643720261 4.3052261959591736 -0.0448972247585553

Pt -2.3659066188512061 4.4084656940610873 0.0219769339501872

Pt 3.1373443591874870 -3.9494740758132614 -0.1211419546981725
Pt -3.1482678817489860 -5.1787927731758625 -2.4814694181578982

Pt 4.6171852341750750 0.0918967773196279 2.4357795038348273

Pt 4.4988682029777136 0.1776587289649662 -2.8393776355676135

Pt -5.9177955404282798 1.9346381578078629 2.0431737199738551

Pt 0.2541205017947969 4.8933594200138462 -0.0115281273789643

Pt 0.2919800372887049 -4.5989616889162814 -0.2213513579925726

Pt -5.2780146312488014 1.0044251208473249 -0.2862627379464280
Pt 4.5521643473334379 -0.0693906599475916 -0.1844193397294285

Pt 0.2030530625378544 0.0855964187334259 -4.1550453007565382

Pt 0.0166855955092371 0.2872773535093622 4.8434757364161412

Pt 1.5456168844038085 -4.1962558551524491 2.1182059258136192

Pt -1.0211442818606786 -3.4045550919685659 1.9467293100523524

Pt 1.7733257252586110 -3.3582922732429004 -2.3329653702869262

Pt -0.6900210836576905 -4.3532904829896122 -2.6863792276998577
Pt 4.0972854020121998 -2.1580946410030513 -1.7424070920644945

Pt 3.4263838162523466 -2.2815765904184580 1.8954270218604041

Pt -3.8225845249549271 -2.6797772995926628 -2.6685496167907257

Pt -3.5155476193097930 -2.5889225681563537 1.9652763324856768

Pt 1.5792943747914234 3.7515373896130861 -2.3122138943774342

Pt 1.7567641744324429 3.7238883894364769 2.2671024418757826

Pt -1.0917105907326248 3.4558608626197818 -2.0347182300867797
Pt -0.9714091961616094 3.7515667688847523 2.1643055958729480

354
Pt -2.2129772577157287 1.4638870891690297 -3.6585084358158877

Pt 2.4067003971167318 1.5501185369586872 -3.7404082262954983

Pt -2.0762479234138955 -1.2409045463908703 -3.8530354322836882

Pt 2.6318546056081353 -1.3204803408306041 -4.0515529023936354

Pt -3.5701187351861354 3.0724958976768542 2.0652922448387914
Pt -3.4830594686330092 2.4019327420679795 -1.4589629623550004

Pt -1.8427741866404193 -1.1251402609733439 3.3947765548091713

Pt 3.2018122087819401 -1.0109217830135342 4.2683600640379824

Pt 2.4521338622222042 1.4140243961323997 3.5540707229186852

Pt -2.0694342956804026 1.6031461964295297 3.7420993706596466

Pt 3.5672761873174959 2.1915560866623403 -1.4176103580778354

Pt 3.7901428954405314 2.2425615078251533 1.2565900260172802
Zr -1.2413229712702007 -0.8931380657166890 0.6447850639341672

Zr 0.9838793082111790 -1.6230182074462411 3.0207894405903959

Zr 0.9034081759437169 2.3764185994086326 0.0061939956067125

Zr -2.3409744581416381 -3.6362875237077126 -0.6114529629439553

Zr 1.9896153157761984 -0.3617095596882698 -1.7213705008445268

Zr -3.8903131247185816 0.3734274315645600 1.9516083110644094

Pt49 Zr6 configuration: ∆E tot = 7.14 eV

Pt 1.8267355875991431 -3.5987038758446710 -1.1993608599070198

Pt 0.0247639697099046 -2.6144554663686437 -3.1117871132677264

Pt -2.6236541865894649 2.3670273964622215 -3.3361202392491629

Pt -0.3073615744557782 1.3426990392843772 -4.2800555810606555

Pt -2.4189929010499123 0.0221997829033232 -5.0159051678794748

Pt -4.5971781136641896 0.2174004775149206 1.1878100790348638
Pt 0.0520114479257511 -0.3421596875610637 1.9807481335756636

355
Pt 0.7160410217803072 1.2910493098095115 -1.7156192772458718

Pt 2.1257706978246995 0.0658530988726645 0.2243879711999579

Pt 2.2230718443692954 -4.5625440229769447 2.8866669441878896

Pt -4.5150457212057491 0.2658098349426306 -3.4078190687235166

Pt -2.0716142511563786 -3.0262817542872495 3.3433496939925771
Pt -4.9937852450408924 -2.4024805203392186 1.1020499899711211

Pt 4.5498814593625871 0.3248455289621469 -0.9408341720786444

Pt 2.5086662045062633 3.6483395663882012 0.9387690286491699

Pt 4.4494879465767427 -0.6349751424979351 -3.4660201454216688

Pt -1.8026938331760796 0.8491754083018535 -1.4630466977130991

Pt -4.0638753587848031 2.7747647968957780 1.1971148459542054

Pt 0.6665968246572859 4.2711807860185909 2.6671191109149799
Pt 4.2177326323207867 -1.1847665884662968 1.3224001719923359

Pt 3.3006798388150900 1.7217808267577599 -2.8444470922963836

Pt 4.3529205534251973 2.9102893406755124 -0.7511150876611490

Pt -0.4597702094649837 3.7224732885761638 -2.4963534829714265

Pt 0.3887997340765940 2.0459545107553243 0.8377981213187491

Pt -1.9924802599804472 0.9919616946807084 1.0448790157212322

Pt 3.8760755227233092 0.2615296191726966 3.5855965993387322
Pt 3.7796586241013648 -3.7618172474239069 0.7789159558884480

Pt -4.8454658812363443 -1.0617075843315122 -1.2097024595694394

Pt -1.3290174493774483 -0.4756406307521094 4.2019088944784366

Pt -2.9374775560566304 1.5257067483346738 3.3680079387025748

Pt -2.7005570517156814 -4.3880699380128005 1.1564191544367226

Pt -4.3060319482802454 1.6036761406580906 -1.1577395634705967

Pt 2.0898742617033657 0.1531323122773465 -4.7038328364978890
Pt 4.1411346307346948 1.5426754022761990 1.4140251770438672

356
Pt -3.4422434972677562 -3.2950230243754861 -1.1263661218795802

Pt 3.0542748469452130 -2.1771933395078280 3.5393518571305895

Pt -0.2203674870362836 -4.5292554790508666 1.9570137979026754

Pt 0.4539458665931636 -2.5527238753681809 3.8120981492773893

Pt 2.0136496803198307 3.7531196187558491 -1.6647877383395402
Pt -0.0105856987170981 4.4546175001557824 0.0531269179782159

Pt -2.3936661242351489 3.4927425815578044 -0.7726371732873138

Pt 1.3500312472665057 -0.0685485130693299 4.2063167554714926

Pt -1.7701598548981365 3.6692934861585922 1.9992598394392527

Pt 1.5341111805368348 3.1265855587895848 -4.1827057555425968

Pt -0.3275136758705565 1.9949920558215899 3.6319644385186001

Pt 4.3573378437520365 -2.2495316179234566 -1.2853658040118292
Pt -0.2764856322503214 -1.2828928522319982 -0.5883498442121988

Pt 2.3034900809352186 2.3100996102821929 3.2854404217470714

Pt -3.8044222399058389 -1.0468053475872674 3.3812232813629581

Zr -2.4459559727323468 -1.3145264794827201 -2.6543799865366635

Zr 1.5796041336355213 -2.4834038853252709 1.2692284431506442

Zr -2.5014475657214232 -1.6600453720958379 1.1134208088408384

Zr -0.1044653627736246 -1.0855610115381831 -5.1960717404566212
Zr 2.1404064781919017 -1.0319791216027090 -2.2787111628501924

Zr -0.8144395077450522 -3.8898829440206049 -0.6372773650909940

Pt49 Zr6 configuration: ∆E tot = 9.90 eV

Pt -2.3462554949979126 -2.5685876812793453 -4.3797517858155883

Pt 1.7038698433537358 -3.7100000500543957 -0.9516712031801110

Pt -0.8119664210672171 -4.3105884692183691 -0.3063661973845367
Pt -0.9180101043122826 -1.0157036848987588 -2.2331025610728537

357
Pt -2.6436529106266495 1.7725410004618403 -2.7584031745150375

Pt -0.4665475922030659 1.5193664094097605 -4.3272122987131896

Pt -5.7395186300997381 -0.0036322896806796 1.1796304219704876

Pt 0.9175645663574126 -1.1323544805131101 1.2874392848272083

Pt 0.4514473878961272 1.2210195931873673 -1.7899786093291759
Pt 2.5604777900987794 1.0628677422948924 -0.1369856900379627

Pt 1.0141336185945176 -3.7630153082695039 1.6449170747577606

Pt -3.5563332639515495 -0.7273679269460166 -2.8397001822475660

Pt -2.4787359700666909 -1.6829525685505105 4.0895911339061195

Pt 5.0227922782964107 0.5146530146464213 -0.9024857853998175

Pt 2.4493071924741501 3.5019546775924737 1.0193089774591206

Pt 4.3204458041520653 -0.5975038071965836 -3.2765562713454228
Pt -1.9246891609549519 0.7559867715171341 -0.3055757778359077

Pt -2.7783727075518159 -3.1122863767071558 -1.7707074288160836

Pt 0.8200663421870220 4.4936261706186000 2.7712801680967809

Pt -0.0639264319992158 -1.1955714416230969 -4.6790581151165354

Pt 3.9063991245675207 -0.8550169956494417 1.2750489778220324

Pt 3.8685794028221854 1.9874678964307599 -2.9341674335812362

Pt -0.6580149710450081 3.5138073369938039 -2.4461355380990240
Pt 0.2703621644489558 1.5780710329282814 0.9952649019847276

Pt -1.5757211448458421 -0.1014237500667315 2.2099250448201362

Pt 3.8979962687158758 0.2362415793102194 3.7154400756002115

Pt -4.8703783449699891 -1.7803973965797177 -0.7102147801159181

Pt -0.5009849073122994 -0.0048571686494127 5.1030375282572180

Pt -2.4757859837894611 1.5319895196586084 4.0586523726220465

Pt -1.4132052916972548 -1.8114872611562292 0.1753899050968155
Pt 2.1978379934911900 -2.3155158757009660 -3.3841257643115012

358
Pt -4.4724317733807553 0.9513712962120818 -0.9566938222240670

Pt 1.9730782034286052 0.3174688007711918 -3.9764764821348644

Pt 4.5548635435970617 1.8369960452434193 1.5753842191752823

Pt -3.6090405492939710 -4.0993143411193094 0.4559181192178833

Pt 2.7046369071056220 -2.1750467353532543 3.2720198626772143
Pt -1.6958237275328938 -3.5341568069116964 2.2230000520316153

Pt 0.1031999257420773 -2.1858631091018794 3.7090002145877827

Pt 1.9737611314175889 3.5177747909774575 -1.5976620876600609

Pt -0.0119435056633094 4.1166691520587273 0.1348800502767766

Pt -2.5519726860557399 3.2680607402505024 -0.4202607794374192

Pt -1.5540291488436098 3.2282139671078398 2.1298081439528014

Pt 1.6841328901070240 3.0002000419585753 -4.1009715998817162
Pt -0.0334858573758674 2.5414909207854257 4.2882348313446252

Pt -0.2259767153570142 -3.5090952806735136 -2.8733041810248343

Pt 3.9002364967858054 -2.0624912859679214 -1.1421969463246266

Pt 1.4587008196874129 -1.0955946581273577 -1.2391114211042822

Pt 2.7273843386155145 2.7426555397181196 3.5197462795119741

Pt -4.6284132903758994 -0.0129209112222052 3.6626985629652644

Zr -2.4050780236226292 0.0046603099960739 -4.9840883659641326
Zr -3.7355927696411855 -1.7114213557828895 1.6336875445963071

Zr -3.6470104252452900 1.6330828306633349 1.6231705645400318

Zr 4.4543524548883795 3.0960920212397549 -0.6895438404142248

Zr 3.5063984312960472 -3.4114950593655125 1.0494360884276122

Zr 1.3508728837520265 0.5413328743329048 3.3105977225618650

Pt49 Zr6 configuration: ∆E tot = 10.43 eV

Pt -0.8198895300914613 1.5258514061178363 2.1397436792311200

359
Pt -0.9178142420998254 1.6245726050632772 -2.0694769524648078

Pt 0.2055788816883961 -1.1369786034569114 2.2977170956672270

Pt -0.3729282529449050 -1.0084032866104320 -2.3681822583706063

Pt 0.6170080811441041 2.5163578507891615 -0.0694758695715307

Pt 0.6589481453929267 -2.3734152708874645 -0.1038059408386373
Pt -2.0865674059956403 -1.8988973573953143 -0.3474239772294793

Pt 1.9048235083001375 0.6570967900375837 1.4383601176446634

Pt 1.9395207957149525 -0.1907638476893266 -1.0991145084597036

Pt -4.3015207722420881 -0.5120311527474126 -4.1912683043720991

Pt 0.3579630121844417 2.5235782825006781 4.2366637566389640

Pt 0.1707495189849766 2.4708375047000417 -4.2886062129187481

Pt 0.3811903002288232 -2.8644794199021972 4.5325149550785140
Pt 0.2814350982788598 -2.8949575563123786 -4.2169515363516981

Pt 2.9113901041564674 4.2691056442642283 -0.0364648396662771

Pt -2.2094589701707035 5.5004983647385037 0.1729736443320492

Pt 2.8469182077127586 -4.3151106199440656 0.1208483470065319

Pt -4.8944952881799795 -1.4032843707022533 -0.1706572620578270

Pt 4.5763218479845706 -0.1479301989385402 2.6604997421295056

Pt 4.3983728411692624 -0.1122466697230078 -2.6360707408117574
Pt -3.9738890244083676 -0.1148195453346415 3.4206899375456064

Pt -3.3481893276225376 2.4780840642911062 2.5780121546417267

Pt 0.0264980335497426 -4.8672901736310488 0.2011950175592035

Pt 4.7654420432241551 -0.0168709176504802 -0.0183430703366382

Pt 0.2689103696623220 -0.1867226199064061 -4.7452216817242716

Pt 0.3943219483412692 -0.1614283203414442 4.7363934924564459

Pt 1.5269457930721275 -3.7151819057608164 2.3288664834910295
Pt -1.2078707697329945 -3.6792269382383593 2.2912799127005914

360
Pt 1.5696741770955924 -3.7587867339574514 -2.1087630909559008

Pt -1.2592998316657598 -3.8238212027298046 -2.0416064148580486

Pt 3.8634051190360994 -2.3924274489560999 -1.3935249946014181

Pt -3.3927605189143604 2.7878199869628433 -2.4182683939802669

Pt -3.8189183632123216 -2.6112260743633029 -2.2824455188216999
Pt -3.4596398730161466 -2.3256333858928016 1.8543578040003041

Pt 1.6188226225798559 3.5690455708109838 -2.3004025676012216

Pt 1.6472750768536599 3.6146781510342820 2.2042127996591607

Pt -0.9811192579862107 4.3270548260701238 -2.0554951503735279

Pt -1.0848500602008242 4.1754003551472882 2.4040874965922430

Pt -2.1150029677344149 1.0439004702705421 -4.3668651085652046

Pt 2.2723060884492385 1.2397294788940332 -3.4836605329705290
Pt -2.0873433667780317 -1.8609140876020132 -4.1335375506266105

Pt 2.3456859735607196 -1.4714583791374747 -3.4936818795880495

Pt -3.0803719337694586 0.3385930188408499 0.9038104085299213

Pt -1.8808274349429892 -1.6454684146051630 3.9359631843938163

Pt 2.6281210564269060 -1.6017955954759640 3.8280091387558772

Pt 2.6045406585305502 1.2053884907693220 3.8029845729479947

Pt -1.8868240789935156 1.0397972835388447 4.4351274585404239
Pt 3.5752091114012616 2.0331624361615313 -1.2905025779597252

Pt 3.9638213759607908 2.2019287447301239 1.4187512616810551

Zr -0.4485840280949445 0.0740871733133150 0.0671106896179511

Zr -2.2554887848487395 2.8516474720462228 0.0542242759904668

Zr -3.2348164635604801 0.1083720260429419 -1.9303021259303221

Zr 0.3456694598708738 5.0581518059678183 0.2525385931376748

Zr -2.5737505355918300 -4.4101704937938999 0.2243426894218631
Zr 3.0253518322426913 -1.7329992114170107 1.1188403526146573

361
 Pt49 Zr6 configuration: ∆E tot = 11.60 eV
Pt 0.0000000000000076 0.0000000000000076 0.0000000000000077

Pt 0.0000000000000076 1.4637826598313599 2.2290985404058117

Pt 0.0000000000000076 1.4637826598313599 -2.2290985404058019
Pt 0.0000000000000076 -1.4637826598313448 2.2290985404058117

Pt 0.0000000000000076 -1.4637826598313448 -2.2290985404058019

Pt 1.4637826598313599 2.2290985404058117 0.0000000000000077

Pt -1.4637826598313448 2.2290985404058117 0.0000000000000077

Pt 1.4637826598313599 -2.2290985404058019 0.0000000000000077

Pt -1.4637826598313448 -2.2290985404058019 0.0000000000000077

Pt 2.2290985404058117 0.0000000000000076 1.4637826598313601
Pt 2.2290985404058117 0.0000000000000076 -1.4637826598313446

Pt -2.2290985404058019 0.0000000000000076 1.4637826598313601

Pt -2.2290985404058019 0.0000000000000076 -1.4637826598313446

Pt -4.4488100605757257 0.0000000000000076 -2.7836648978704512

Pt 0.0000000000000076 2.7836648978704610 4.4488100605755694

Pt 0.0000000000000076 2.7836648978704610 -4.4488100605757257

Pt 0.0000000000000076 -2.7836648978704512 4.4488100605755694
Pt 0.0000000000000076 -2.7836648978704512 -4.4488100605757257

Pt 2.7836648978704610 4.4488100605755703 0.0000000000000077

Pt -2.7836648978704512 4.4488100605755703 0.0000000000000077

Pt 2.7836648978704610 -4.4488100605757248 0.0000000000000077

Pt -2.7836648978704512 -4.4488100605757248 0.0000000000000077

Pt 4.4488100605755694 0.0000000000000076 2.7836648978704610

Pt 4.4488100605755694 0.0000000000000076 -2.7836648978704512
Pt -4.4488100605757257 0.0000000000000076 2.7836648978704610

362
Pt 1.4072638196768144 -3.8360493936350823 2.2984970380236667

Pt -1.4072638196767993 -3.8360493936350823 2.2984970380236667

Pt 1.4072638196768144 -3.8360493936350823 -2.2984970380236542

Pt -1.4072638196767993 -3.8360493936350823 -2.2984970380236542

Pt 3.8360493936350895 -2.2984970380236542 -1.4072638196767990
Pt 3.8360493936350895 -2.2984970380236542 1.4072638196768146

Pt -3.8360493936350823 -2.2984970380236542 -1.4072638196767990

Pt -3.8360493936350823 -2.2984970380236542 1.4072638196768146

Pt 1.4072638196768144 3.8360493936350895 -2.2984970380236542

Pt 1.4072638196768144 3.8360493936350895 2.2984970380236667

Pt -1.4072638196767993 3.8360493936350895 -2.2984970380236542

Pt -1.4072638196767993 3.8360493936350895 2.2984970380236667
Pt -2.2984970380236542 1.4072638196768144 -3.8360493936350823

Pt 2.2984970380236667 1.4072638196768144 -3.8360493936350823

Pt -2.2984970380236542 -1.4072638196767993 -3.8360493936350823

Pt 2.2984970380236667 -1.4072638196767993 -3.8360493936350823

Pt -3.8360493936350823 2.2984970380236667 1.4072638196768146

Pt -3.8360493936350823 2.2984970380236667 -1.4072638196767990

Pt -2.2984970380236542 -1.4072638196767993 3.8360493936350895
Pt 2.2984970380236667 -1.4072638196767993 3.8360493936350895

Pt 2.2984970380236667 1.4072638196768144 3.8360493936350895

Pt -2.2984970380236542 1.4072638196768144 3.8360493936350895

Pt 3.8360493936350895 2.2984970380236667 -1.4072638196767990

Pt 3.8360493936350895 2.2984970380236667 1.4072638196768146

Zr 0.0000000000000076 4.4915517362113286 0.0000000000000077

Zr 0.0000000000000076 -4.4915517362113233 0.0000000000000077
Zr -4.4915517362113242 0.0000000000000076 0.0000000000000077

363
Zr 4.4915517362113277 0.0000000000000076 0.0000000000000077

Zr 0.0000000000000076 0.0000000000000076 -4.4915517362113242

Zr 0.0000000000000076 0.0000000000000076 4.4915517362113277

Pt49 Zr6 configuration: ∆E tot = 13.78 eV

Pt 1.8386125875227350 -2.8874424763414037 -2.8146124991227546

Pt -0.9766977988289766 -0.9381428337247383 2.1115550494339366

Pt -3.9202404320379824 1.0872708077108555 2.1895023909545350

Pt -1.8960192009724295 -2.2532143682385151 4.5829687891217006

Pt 2.9346150265273567 -1.2593332870039957 -4.6437224863666513

Pt 4.2628836092520173 -1.5901434932087126 1.5893610671634992

Pt 0.2512048789378157 -0.6850158672055625 4.9980294125934295
Pt -0.3991254710406876 1.8784927084473553 5.5976697828347612

Pt -2.0877797939245366 -1.9484051484125315 -3.6859901409203624

Pt 2.4098035258302306 4.1960197821940586 -3.4447046236574672

Pt -1.8762199504096173 5.5110434155019323 2.2316220217163525

Pt 0.3086025613704381 2.7451246800948628 -4.2682129743008757

Pt -1.5692531228390265 -5.2577698715124495 0.3143647425217656

Pt -4.0605884767017502 -2.1599136610369793 -1.9315492007492121
Pt 2.8307215550368059 -1.1183794933994717 4.0007760914615389

Pt -3.3246124730391640 1.9903622856988805 -0.4698123721598316

Pt -0.5904916875213045 -2.4846397517151342 0.0868437868701240

Pt 0.6046798369044412 1.4192788913062360 -1.9491557952112639

Pt -0.3501874850846290 -4.0409197205060092 -3.7839858431957034

Pt -3.2845567289977535 -3.1271821124323207 0.3906494411474929

Pt -1.6748863818177113 4.0875259279753084 -0.2377511788842052
Pt -3.4709798490073891 -1.5009811223158194 2.5506929755493863

364
Pt 1.1657253722779644 -0.9113156972562263 -0.9862381347738941

Pt 0.5055155676842590 -4.4623494499494551 -1.3022579930206557

Pt -1.7466939482208061 2.5074435225506466 -2.4847568888475942

Pt -3.0321041707404643 0.1824881066672093 -2.4124356829822298

Pt -0.9631652239972907 0.4422668441827556 -4.0049573381811667
Pt 1.5356879415172699 -1.1496615990859154 1.6066230963094104

Pt -2.1790820170542102 0.3825794336553246 4.1389508493374381

Pt -2.0449714390431919 -3.8060653736551568 -1.8458298125510832

Pt -3.5735437471915330 3.6145872367657050 1.6072646978123448

Pt -1.7567111910907982 -3.7306335919142395 2.4473987521031311

Pt 0.7833553608282416 1.5856069577201752 3.2554437682203932

Pt 2.7187509682506774 -3.0199690864858564 -0.2102466176826378
Pt 0.5097641946633219 -2.9133592730731390 3.6236163800655752

Pt 3.2076041219309022 1.1105001481453669 -0.7332479899220156

Pt 2.8141866317765820 -3.5984688896632644 2.5725812184405661

Pt 1.0274291945075931 1.6977572114319501 0.6534216767666882

Pt -0.0721873898455071 4.5880421339858701 -2.3259795644333487

Pt 0.4803066814822076 5.6707452859442231 0.1841778238364687

Pt -1.9802359456270977 3.1281244292935515 3.7592059506955500
Pt -1.4500260434246541 1.6705625638551724 1.5862239738620378

Pt 0.7062670084387749 -4.4337932539284690 1.3259923992282456

Pt 3.7014661645599207 -1.1617111242995988 -2.1115045800481860

Pt 1.1154236384127245 0.5616852046102155 -5.6438182558457681

Pt -4.0098958767849213 -0.5468479535582685 0.1464828786104609

Pt 2.6855161513723860 2.7287787638710927 -5.6891920176285096

Pt 0.3158462666085059 -1.7357971961336729 -4.7226544623889692
Pt -1.4037435713514099 -0.1075141387403972 -0.4138738690869085

365
Zr 3.1169641779043817 0.7937026747820725 2.0588286529498325

Zr 2.6490458754274786 1.1777813016125138 -3.6347438397343788

Zr 2.0415019037501483 0.9340055773700343 5.4548047865903797

Zr 0.0079049668531782 3.8772928101439437 2.0276002775906270

Zr 5.2744372791004279 -0.4251283713270608 -0.3625747671569665
Zr 1.8901763678660501 3.6850295006070599 -0.9788438049350342

Pt49 Zr6 configuration: ∆E tot = 21.16 eV

Pt -1.3880842813959968 2.3484010325916063 0.0000000000000012

Pt 1.4019037635955471 -2.0627148610796273 0.0000000000000012

Pt 2.3142757101912896 0.3004451401609250 1.3692310158151026

Pt 2.3142757101912896 0.3004451401609250 -1.3692310158150947
Pt -2.1501359847756851 -0.1398505599011881 1.3294369524577365

Pt -2.1501359847756851 -0.1398505599011881 -1.3294369524577339

Pt 0.0832297438267210 0.1997121349940172 0.0000000000000012

Pt 0.0251484681177271 1.5981833927760101 2.1956398161238933

Pt 0.0251484681177271 1.5981833927760101 -2.1956398161238959

Pt 0.0878171192793810 -1.2473141425163097 2.1948110708136892

Pt 0.0878171192793810 -1.2473141425163097 -2.1948110708136945
Pt 1.5904350521475323 2.7493286435333224 0.0000000000000012

Pt -1.2426631036356794 -2.3664677854769978 0.0000000000000012

Pt -4.3923164482279367 -0.1274115527291397 -2.6605398432019585

Pt -0.1045991483857301 2.6263019754205659 4.5831014416831986

Pt -0.1045991483857301 2.6263019754205659 -4.5831014416832021

Pt -0.0780514588730922 -2.7602847937900816 4.2949999452764258

Pt -0.0780514588730922 -2.7602847937900816 -4.2949999452764294
Pt -2.9943584632033580 4.3912240332052166 0.0000000000000012

366
Pt 2.5539172010257514 -4.3935488148179838 0.0000000000000012

Pt -2.8403443722584387 -4.5248243401639998 0.0000000000000012

Pt 4.4424726096082505 -0.1843561771794211 2.7994465443477394

Pt 4.4424726096082505 -0.1843561771794211 -2.7994465443477421

Pt -4.3923164482279367 -0.1274115527291397 2.6605398432019611
Pt -0.1348103132112269 -4.7155656458351389 0.0000000000000012

Pt -4.6335891936716456 -0.1024013014156870 0.0000000000000012

Pt 4.7515927517035648 0.1035122404549678 0.0000000000000012

Pt -0.0642955617377806 -0.0943899327167590 -4.5523534518940290

Pt -0.0642955617377806 -0.0943899327167590 4.5523534518940201

Pt 1.2909441019043020 -3.8041126280213597 2.2550744268586569

Pt -1.5249929855698841 -3.7716313806324639 2.2437182037971097
Pt 1.2909441019043020 -3.8041126280213597 -2.2550744268586596

Pt -1.5249929855698841 -3.7716313806324639 -2.2437182037971124

Pt 3.6134224621206763 -2.3673567223818250 -1.4081202610123573

Pt 3.6134224621206763 -2.3673567223818250 1.4081202610123600

Pt -3.7625111867633332 -2.4144157718920494 -1.3694034248275053

Pt -3.7625111867633332 -2.4144157718920494 1.3694034248275053

Pt -1.3352819737332164 3.9978723036827426 -2.3574702349748642
Pt -1.3352819737332164 3.9978723036827426 2.3574702349748642

Pt -2.3294613894442509 1.2785377179294950 -3.6507559443257276

Pt 2.4274354605641846 1.5834849753600895 -3.7983392472205009

Pt -2.3746632615233909 -1.5473206810767164 -3.6860875910297790

Pt 2.2301844072240802 -1.5314420027115045 -3.6643989520260978

Pt -3.7141533970083631 2.1507377695983574 1.4244792768423751

Pt -3.7141533970083631 2.1507377695983574 -1.4244792768423804
Pt -2.3746632615233909 -1.5473206810767164 3.6860875910297870

367
Pt 2.2301844072240802 -1.5314420027115045 3.6643989520260898

Pt 2.4274354605641846 1.5834849753600895 3.7983392472205035

Pt -2.3294613894442509 1.2785377179294950 3.6507559443257303

Zr 3.1455393100959275 4.6535762927185109 0.0000000000000012

Zr -0.4257521620829928 4.7877463207606139 0.0000000000000012
Zr 1.3535199638166877 3.7713754864990121 -2.7526241608793272

Zr 1.3535199638166877 3.7713754864990121 2.7526241608793298

Zr 4.1117345267482301 2.1489586093872108 -1.6699866642020127

Zr 4.1117345267482301 2.1489586093872108 1.6699866642020154

Nb55 configuration: ∆E tot = −15.71 eV

Nb -4.3441900930428758 -1.4131867022502238 1.7214700076555260
Nb 2.3078214409835809 0.5828118771627882 -1.6817767455618906

Nb 0.2221421353454573 -3.7550794419689266 3.3341916119646839

Nb -2.2514306842269391 -1.8651251386324024 -3.1226265064302936

Nb 2.3457399615719012 0.7848928077144759 1.5419323762792772

Nb -0.0603476148111142 0.1312046400606643 -6.1967923330641810

Nb -2.1332844667135689 -1.5203527194592628 0.1232481799449516

Nb -4.3822309089645799 -1.6103163244605643 -1.4187769497921465
Nb 0.0453754433100571 0.4350055464396601 -3.2144436018106148

Nb 0.1027553386679827 -1.3590420198540674 4.8973736386507341

Nb -2.1741750925084276 -1.4559248146957859 3.3878193418261873

Nb 0.1283111800115435 0.8149974635863568 -0.0525072251234775

Nb -2.2068340059653977 2.6902304325913828 -3.3965085835247208

Nb -4.2855112485050952 2.7880467676196528 -1.7677727940117052

Nb 0.1199468185779935 0.8367541838260788 3.1334333817266611
Nb -2.1507728241264132 3.0815029240283760 -0.1722354601755001

368
Nb -0.0063617115515413 -1.9678621036045545 -4.6858148971041373

Nb 4.5329514934936199 0.3599355163514186 -3.0814564218362221

Nb 2.3144597862278076 -1.9296686086789467 -3.1722724870272287

Nb 0.0374491593771680 -1.7052878340730278 -1.5344617703488268

Nb 4.6813609579064703 0.6714278679030112 -0.0991987452669179
Nb 2.3367015682914811 -1.6212590317234632 0.0741973872920596

Nb 0.0762067833743387 -1.4989410255742488 1.7364667296078000

Nb -4.4246441529666001 0.5899161226573053 -3.0599608241037686

Nb 2.3893935554363779 -1.5200562402937496 3.3363935292622386

Nb -0.0007126487048126 2.4282448420839469 -4.9602119768264146

Nb -4.3487192604144482 0.9688338557479366 3.0687901821444399

Nb 2.2890882009724223 2.6403814268362478 -3.4408216655462240
Nb 0.1210752529850012 2.9964123292380602 -1.8563776505565954

Nb -2.0905487147067632 0.9160315429626475 4.7414767603705030

Nb 2.4073180659184530 3.0326175259202355 -0.2201520745578165

Nb 0.1607237806779480 3.2061645243906494 1.4559996148587118

Nb 0.0783121809223744 0.9150053385058126 6.1332058956347595

Nb -2.2202537604281432 -3.9148086195285812 -1.3019571736096083

Nb 4.5370512532005947 -1.6207311900583736 -1.5774101921751935
Nb 4.5998849154351760 0.7311842749025654 2.9050824260251176

Nb -2.1842708955103447 -3.7193717613744566 1.8296889831054983

Nb 4.5733026480057575 -1.4181502767177339 1.6559310868799315

Nb 2.2767012949523675 0.9047554943233447 4.7270217585625147

Nb -2.2032813260178656 0.3129257564291148 -4.7657899861168715

Nb 4.4695225079791285 2.7275292529909674 -1.7955645555970818

Nb -4.2471761971246522 2.9908408088372820 1.4970776764176623
Nb -2.1490968441870777 0.6391704896034494 -1.6370651879963702

369
Nb -4.2581913251753960 -3.5808271613846570 0.2743088664948932

Nb -2.1306813523013446 3.0996382042486115 3.0744428789545566

Nb -2.1093795494905052 0.8427312980351100 1.5953554494996496

Nb -4.4785733724540719 0.8233552886322908 0.0026964346636191

Nb 0.1090929885138578 3.0357101594259515 4.6087604514111575
Nb 2.1430757270623602 -3.9401583411053265 -1.4731834346008696

Nb 0.1529219331666880 -4.1464906494499969 -2.8376339027927884

Nb 2.3634679611935852 3.0482248580087710 3.0255680756641539

Nb 2.1815024755493155 -3.7267950435649295 1.9094436134263901

Nb 0.0627610201174704 -3.9577073376499454 0.2484996814579716

Nb 4.5050221026669917 2.9237537204345099 1.3332600036987685

Nb 2.1692281180026285 0.2969052446045222 -4.8503628779231036

Nb55 configuration: ∆E tot = −12.47 eV

Nb 2.5619734324210519 -3.4533941721123282 -3.4202337364320066

Nb 3.5142451943757571 1.3791752336956744 2.3107957783035182

Nb -1.6959634171544771 -0.9539441547744207 2.3165807869744164

Nb -4.0248163378671817 1.1591255736754231 2.5043237154946247

Nb -1.9934579300432240 -2.0673295580057118 5.0333354460937905
Nb 2.9101934726535426 -0.6410167042569999 -4.3055416657596730

Nb 4.0616490084816199 -1.2403682843673653 0.9373419663999591

Nb 0.1021673758287953 -0.2884341089150428 4.8030774436036587

Nb -0.2117331717063173 2.6982806819612488 3.9059735333247154

Nb -1.7186749795106131 -2.3400043530369192 -2.8312530935623066

Nb 2.2642901698661255 3.6917262929880774 -2.2538899070212715

Nb -0.9859135239563024 4.7447149517191018 1.3343740877264061
Nb 0.2285602474506980 3.2926398587718619 -3.6686328038753366

370
Nb -1.4630280475401669 -5.5365778313835134 0.6676252575380666

Nb -3.8945082948141190 -2.2626051683062673 -1.3277642557959233

Nb 2.6014517123922154 -1.0394715089694149 3.3271498259131995

Nb -3.8837607244036176 1.8237402326622014 -0.5224098750749384

Nb -1.2540883710370601 -2.6572479608069859 0.2725550836636224
Nb 1.0421567714487701 0.9372365563258693 -2.6988767764418462

Nb 0.2300013979072979 -4.0426239118663174 -3.9406706306942105

Nb 3.9764705010976762 1.4991584280177062 -2.3590352267182020

Nb -3.5875588245288155 -3.3922531444002031 1.2829601905150732

Nb 2.0693359242092946 1.5733484149496331 4.4105613804458166

Nb 1.4919776266841716 3.2270813991890304 2.0123611939822617

Nb -2.4332752069763650 4.3415867577165681 -0.6829418747367093
Nb -3.9059851876115941 -1.8222309264089649 3.6014138574058912

Nb 0.8489122511920009 -1.6666490250608508 -2.1038030879820404

Nb 0.4255350026156997 -4.3233152273897302 -1.3929860055992087

Nb -1.8574949903264901 2.3035967104341761 -2.2357581871626842

Nb -3.6874932386107018 -0.1250329338579395 -2.5809763682414477

Nb -1.4342570151485923 0.2609529772841750 -3.8519096043645042

Nb 1.3260784219465300 -1.7575009018023753 0.5511549286588071
Nb -2.2160876271069618 0.7733637752999680 4.2491090940157399

Nb -2.3673399355737565 -4.6850066185723476 -1.3443432632370609

Nb -3.8929138280561402 3.8409102732016986 1.4545000696465884

Nb -1.7983807675422305 -3.8989202465963357 2.9994631158863037

Nb 0.5957957528120481 0.4687124650109222 2.1339764405153581

Nb 3.0375463637178051 -3.6027487256294703 -0.7571290105593782

Nb 4.9205766436029101 1.1480820334316331 0.0329251656069722
Nb 0.4680127411663584 -2.5564514117761394 3.2102188395123825

371
Nb 2.1075944486211959 0.8892156753127392 -0.1665590806979473

Nb 3.1737528677692346 -3.5127946448316747 1.8723982892733240

Nb 0.2047104352397469 2.8260599889377840 -0.4803882246734013

Nb 0.0264006519940914 5.4002270816617362 -1.6087849626520203

Nb 1.6162986575312424 5.4175634086994329 0.1284467526428905
Nb -2.6048052625461544 3.6732188826752274 3.4507212238284275

Nb -1.7277232022661657 1.9071603821227523 1.2940770108899535

Nb 0.8686399303238659 -4.5270798141252184 1.3317417109641561

Nb 3.5906048222956848 -1.0798531669773030 -1.6933848764789410

Nb 0.7097684541171105 1.0610573159729721 -5.4784555475704302

Nb -3.7919363473246248 -0.5892680576811831 0.5737218188042910

Nb 2.7866796060046504 2.0040075055772757 -4.7618791282397659
Nb 0.5504672809377773 -1.6194456925662752 -4.7920748390743135

Nb -1.2693863768859934 -0.0578077226879277 -0.7971694671405736

Nb 3.3887354418323632 3.3974331198703833 0.0539674921558095

Nb55 configuration: ∆E tot = −10.38 eV

Nb -0.3819300530435523 -0.5248004233695216 2.4683242987023917

Nb -1.7084081351453317 -1.6368691576523773 0.4673694916537769
Nb 1.2710618386461654 0.3146038559066824 -2.3974326841555342

Nb -0.3275700599076146 -2.5459660884064288 -1.7166902845016452

Nb 1.4279485340489906 -1.1560065974336435 0.3174995532205838

Nb 1.1866223964400504 1.6402624651251543 2.1990761052545764

Nb 2.7460940477543385 1.1478678488810541 0.0842535550227925

Nb -0.0897772685597218 1.8353150806921583 -0.3139281542635235

Nb -2.2854693670011308 1.1955916565624864 1.2728422626200491
Nb -1.6117871358260114 -0.0639493457132811 -1.8232889089261359

372
Nb 2.1239469516528882 -2.6446341575793539 -2.8243386004031041

Nb 4.4809589569945203 1.5118812833923645 2.3319054043774710

Nb -4.7184249915640883 0.8752903866491550 2.5257814000266805

Nb -1.1099951003364552 -1.6613966925009986 5.0268741848138561

Nb 2.9406765123763066 -0.3797718997261121 -4.3387073006233381
Nb 4.3814766802456706 -1.2678010510776616 0.9207565217578022

Nb 0.7947877886973771 0.2601055306774800 4.9395868545184545

Nb -0.1115367296277867 2.5188139547221429 4.2530328593012907

Nb -2.1398617551918715 -2.2263326989334029 -3.9470925829867687

Nb 2.0741636213071093 3.2168375788860644 -1.8306312644520855

Nb -0.5762949773784012 3.8994753300760649 1.8775704066765648

Nb -0.1977443847965397 2.6326331363421165 -3.2578129119043089
Nb -1.9891305500423169 -4.5142142840820068 -0.1626428630511718

Nb -3.3759679180127282 -2.6046714285060926 -1.6269135292220636

Nb 2.7679519760393312 -0.5016005005437911 2.9733289744212925

Nb -4.4671573911847728 1.5824709834066013 -0.5823882989382998

Nb 0.0754057939301589 -4.3648251885855460 -3.9798456858558344

Nb 4.0962876541904603 1.4867964578707067 -2.4788911619417462

Nb -4.0813710598427999 -3.2932493565742558 1.0450811294063591
Nb 2.9233656538203014 2.0332196516479151 4.4587197510580800

Nb 2.5588003872472544 3.8058944626735354 2.8773794141340154

Nb -2.6216155509406853 3.9012789435525530 0.2182244773626163

Nb -3.2597839749159405 -1.3100725613002471 2.8685721435277998

Nb 0.3803511803832116 -5.0963045996473655 -1.5694790243395413

Nb -2.5791257434026136 2.5501551065302301 -2.1180030813740700

Nb -4.0405978312221151 0.0695481134510221 -2.8289257702379160
Nb -1.7547569157120630 0.6082978471410581 -4.3516333389287327

373
Nb -2.1939301444790669 0.5849401773783267 4.3771369886544438

Nb -2.1076259726738140 -4.7142523177364088 -2.9215493792279279

Nb -4.7181999395602459 3.1600897464013809 1.5480772802007738

Nb -1.7719365573273027 -3.3458228439710105 2.7531807470593268

Nb 2.6481447559794642 -3.5381478571812073 -0.4082940497820875
Nb 5.5814289908848895 0.8738743396471360 -0.1410620742461930

Nb 1.0148281122087610 -2.5325968638962060 3.5734687646413246

Nb 3.0535551881225000 -3.2161440517809625 2.0882615516997127

Nb -0.4771911495137342 4.5381226203126310 -1.1403788339668264

Nb 1.5752575631043939 4.2967835033042636 0.5101853488132253

Nb -2.8734078492786974 3.1228699154826884 3.1845454051875688

Nb 0.3414291589026917 -3.6453305167446048 1.1074874394216820
Nb 3.8968157578540730 -0.9838732392996654 -1.6408041234657915

Nb 0.6774496825758991 0.9104269895803867 -5.4193153726846646

Nb -4.3936175083754145 -0.8541518561020425 0.2049411397279304

Nb 2.3297258395738982 2.4021314435029311 -4.3858312882005492

Nb 0.2722386512036881 -1.5492628422698669 -4.5045601831502733

Nb 4.3434423406784948 3.1964700108176007 0.2369772975676447

Nb55 configuration: ∆E tot = −9.90 eV

Nb 5.2172714708080203 -2.7704762854941407 -1.9310448301439518

Nb 4.9727072204808760 -0.1405025946977787 -1.8434019775054438

Nb 4.6968619371971609 2.4214265911212465 -1.7662544561979328

Nb -4.4263219270187699 -2.9020006981134845 -1.6743709508812454

Nb -4.6519622875412168 -0.3915521937359898 -1.2819345790065082

Nb -4.8026436917987718 2.4161796688655670 -2.1711059077121941
Nb -2.1904228365462419 -3.9086769949830833 -1.7894063883466682

374
Nb -2.1426633901058043 -1.2580256619303753 -2.1820216894725686

Nb -2.6462160319114174 1.1616144156647152 -2.9817758915090646

Nb -2.3140692903790878 3.8760313884766475 -1.6200562651574373

Nb 0.5640765529184417 -2.2524269789498153 -2.8859106652209956

Nb 0.0017763504032100 -5.0559714908779378 -2.2157271227411908
Nb -0.1843727927196515 2.4690903378095044 -2.7793318942477381

Nb 0.3158786880322477 4.9839016294509406 -1.9957226205827023

Nb 2.6156742631367589 -4.0297378849341365 -1.8029366226743733

Nb 3.2619397638845182 -1.9365982436201978 -3.5251540884108223

Nb 2.4252204845514793 0.4671187979886753 -2.6992119934300316

Nb 2.1142189365688093 2.9297997620047340 -1.2728207349686382

Nb 4.5245192972998236 -3.9029870435301897 0.1315242920176676
Nb 5.2334004276522759 -1.3553395434307163 0.5504231567207061

Nb 5.8429790526785936 1.3262804805064121 0.4569620237775016

Nb -5.5646834945378982 -2.3235509997966233 0.6708742831396481

Nb -5.8185068927286743 1.5355198642968304 0.1037281642524110

Nb -4.4777268201765921 4.0160046688091313 -0.2197136584041797

Nb -3.9114869164402188 -4.3025394025463450 0.6399133272282658

Nb -2.4272998702347142 -1.7526962513155553 0.6176364813437036
Nb -2.6647300151579509 1.3495234828320690 -0.2400289054397930

Nb -1.1133781360424511 5.7478799267117466 -0.0448715021435984

Nb 0.1710978950628910 -2.6943512205687909 -0.2223767161187808

Nb -1.1981656991738916 -4.8334994994782514 0.5211681269657422

Nb -0.1996941381785948 2.8758203021002231 0.2103894431728950

Nb 1.6831933338923530 5.2481360283825325 0.2305763494481354

Nb 1.2285132134226071 -5.8153081492401535 -0.3289668739917531
Nb 2.6762316649327769 -1.6127380082387646 -0.7062703112955031

375
Nb 2.9657893481936437 0.8692914553755173 0.3932471743865111

Nb 4.3297585558291214 3.6737546381806254 0.3962213877024343

Nb 4.9150666309463187 0.0197759553617374 2.7458328540771166

Nb 4.6225859754828829 2.3638005589513540 2.6816359199909758

Nb -4.3029121118781513 -2.6907489072504518 2.9858698756788673
Nb -4.4117815932233464 -0.1740658265650694 1.7601641615449442

Nb -4.7589707618675403 2.6707867524101943 2.0060465887244803

Nb -2.3681201115152479 -4.1135543205302563 2.8672669612093618

Nb -2.0634334895926330 -1.3352719278947394 3.3526820500910279

Nb -2.2715279926427261 1.2547380621344786 2.4034813708956122

Nb -2.3880661268492762 3.9383281143165902 1.5034030320726899

Nb -0.0898436478211071 -2.6019497146405701 2.5172392920795019
Nb -0.2850793882851494 2.7877324726122907 3.1094453815648055

Nb 0.1481635444098455 5.2187371492924086 2.2437646470744799

Nb 2.0871044851070248 -4.0137609643792160 1.2379425921356333

Nb 2.6641733385847370 -1.5931817700135866 2.0438273040544974

Nb 2.2821112475717111 0.6789032074596690 3.2680565957492949

Nb 2.0372659683176320 3.0694798146659110 1.9148656727003246

Nb 0.1506329166987879 0.1247647157634191 1.6232056858370854
Nb 0.0776583200227261 0.1945025283990987 -1.1131418005719294

Nb -0.1517914297204701 0.0725898068117772 -3.8938357494612807

Nb55 configuration: ∆E tot = −9.51 eV

Nb -0.7074447975832161 3.2059788146568131 2.9981594277478614

Nb 2.3182413244647240 -0.4883459407073225 4.2043799681494125

Nb 1.6452152836312770 2.5023236333842469 4.6596409909093044
Nb -2.4914878010512123 5.0668794991830151 -1.3076514600627664

376
Nb -0.3125107402805209 0.7063426395554249 4.3298979705288367

Nb 1.4793739232388727 4.1815624752454852 2.1228607846104399

Nb -0.2321215265386485 1.6366839054691749 0.6727399916371475

Nb 1.5843288365418022 -3.1033003516688149 4.1731120347929895

Nb 1.0356735602276981 -3.9818884470448790 1.5447219383813220
Nb -2.6884658017237602 -3.4548765737675717 -0.9008701496262503

Nb 4.3310440916113215 1.3689577255648562 4.0231922796498409

Nb 4.2373977254024684 -1.4858167296428153 -0.7536599832634483

Nb -3.0110113652330419 3.7171509179001010 -3.3043619942544851

Nb -0.5533607955749389 0.3135653844836845 -2.0198599469051519

Nb -5.0635732261052580 0.5731593680898719 -1.3595124257746427

Nb -2.5398231147591339 -0.5210336542323706 0.4801565670380654
Nb -4.8308502444654451 -1.0527830148227793 2.4208520807097234

Nb -0.2855232260665481 3.6311352181587822 -1.9411494533952549

Nb -2.4780648886808905 1.9103667500768946 -1.1125868856437471

Nb -0.9381175680213811 2.2215981842482950 -4.0381115690100833

Nb -1.3803316258247396 -5.0081969221264346 0.8316468191939403

Nb 2.6299838074419899 -1.9156579773234181 1.7426286129259925

Nb -0.6280598852507264 4.5608597607263324 0.4798811797099862
Nb 2.1045842620814597 0.0147896091255717 -0.2076392746384155

Nb 3.8769971234040526 0.1674990141559256 -3.0896871974616413

Nb -2.4790599678056875 -1.3374238735828659 3.6819162990030065

Nb -0.2509259201945113 -2.0352693836701068 -0.1789639639483074

Nb -2.9605250637161813 3.5861235458362302 1.2459059372687555

Nb 1.5923118689906577 -1.2215419668198955 -2.6932060076023454

Nb -0.9644481276895096 -3.5967920942427813 3.2119340576588904
Nb -4.5299957725245523 3.4748674882093784 -0.7596546871067993

377
Nb 3.6337257886182481 3.6267542781453841 3.6135324283653976

Nb 1.2682922627372140 0.5002454603816862 -4.6789188058283520

Nb 4.5694746571725755 1.4120739837687228 -1.0933134294604763

Nb 4.1497253195590105 -2.6450017853531378 -3.1578758902768911

Nb 4.4926924880617278 -0.0694398651858599 1.7486911211501663
Nb 2.1778242514136412 -3.2937528923072019 -0.9919569926111471

Nb 3.0555227795818318 -1.6521671291936286 -5.2082063911673426

Nb -4.7263850648988779 1.1843188346292877 1.0633719169390936

Nb 0.6822217052172341 -2.2405848466505773 -5.4818346663743922

Nb -0.5301836677332581 -2.9683977806400552 -2.8147385279405270

Nb -0.0027061838597735 -1.0491361573717484 2.3190972279313335

Nb 4.2330359408261575 2.4239461790668297 1.2851886521472213
Nb 1.7812885183178917 1.8733140140316316 -2.3550267258430075

Nb -3.1677568449172240 -3.0661662131836511 1.5854911933987257

Nb -5.1477591359562016 -1.5803140024608116 -0.0253879457169344

Nb -3.2509773463534559 0.9837597119072541 -3.5329314721944964

Nb -2.9327803932561167 -1.2159820729593189 -2.1392999425076784

Nb 2.2081126393138675 3.1830151489866481 -0.2465632358080292

Nb -2.5604272539746820 1.0395581498267266 2.7116081488093027
Nb 1.8945511636259464 -3.8762530839187352 -3.6919942954522114

Nb -1.1170480877257720 -0.7931146995677327 -4.4754302341725243

Nb 0.0441547485972968 -4.9645113460840964 -1.0935259650857887

Nb -0.1483644370994863 -1.8062346316757374 5.2225492775188584

Nb 1.8843158047859188 1.3571537413900128 2.2807626129576004

Nb55 configuration: ∆E tot = −8.90 eV

Nb 1.1881654154181263 1.8424642750223370 0.9760674966766238

378
Nb -3.8047413805821435 -3.2809933484520855 -0.0904763403878626

Nb 1.1415916737009582 -3.0251305085381830 3.6652369546498029

Nb -3.3770414534246100 1.3702249108592781 1.8042977977833150

Nb 0.9386939620037538 0.0990003492347427 -1.2938400778489232

Nb 1.6138513586501517 0.1275247568058102 3.4517085005750126
Nb 1.2397462104042631 4.8159923783653085 1.0066582712699734

Nb 1.3473711891493849 3.3030167925853249 -1.4951409894417331

Nb 3.1995122487736438 4.2357321131812267 2.3498958441252888

Nb 1.3167560696360994 -1.6253141203179808 1.1673634807509679

Nb 1.0032741646162862 -3.2405199456649569 -1.1442039821368120

Nb -0.9257079568685072 1.2852919337767759 3.9275495275379093

Nb -3.2827956069022974 -1.6565926405922653 1.7297986857459282
Nb 3.2817110174674440 1.4430083705777008 -1.5899701875236580

Nb -3.0919754739996392 -0.2252323510837471 3.8364242825745158

Nb 1.3710287893169522 -4.6544534838251366 0.9368668512188005

Nb 3.2407771661982849 -1.5708919500296759 -1.4824143891871095

Nb 3.7827666218125700 -1.3907416487006259 2.9749823701099167

Nb -1.0495644304924951 -0.0172789395952151 1.3942012973699356

Nb -3.7570450324892164 1.5001983886794505 -2.5891901085020486
Nb 3.2245697139268543 -3.9499571335354062 2.6126709488403783

Nb -1.3219142796939281 3.2373032229891265 1.9060356110926655

Nb -3.8162887416424667 -1.5020775547045275 -2.7022742905562147

Nb 1.0273815368079937 3.1027564672229300 3.5337468755796273

Nb -1.0463719683031769 -3.3069625495086399 1.3653503594429459

Nb -1.4303127202828279 -0.0757327285393075 -3.4567372860465850

Nb 3.8206325429552521 1.6533604072588428 2.7113839719669333
Nb 3.5300449815976407 0.0235549895135279 0.7024706933488911

379
Nb 3.0543640412191451 -0.1785750578940224 -3.7070938684680739

Nb -3.4015581160940798 -0.0192189234381175 -5.5581037778164228

Nb 3.6839757495797016 3.2339002622187536 0.1894154608831293

Nb -0.9468050446352549 2.8103224306788377 -3.1816728151447888

Nb -3.0467726101219910 2.3776797161239784 -4.8428214336540192
Nb 3.7198546673483719 -3.1980489088140587 0.3216905128317542

Nb -2.9772297614533585 3.9980804130560426 -2.1276204754253278

Nb -3.1718793103926970 -2.4076521434470664 -5.0195304634568130

Nb -1.4219480117947256 1.6429486571765892 -0.7423668255127431

Nb -1.1698652877916800 -3.1400032047516930 -3.3932902443380994

Nb -0.9808033642233198 1.4488419425411934 -5.9941630402960397

Nb -0.8678210397574446 4.2990566232307827 -0.3238122924061138
Nb -3.2355568875584169 -4.0902576179598071 -2.2916076053558179

Nb -0.9629749338577653 -1.5827298324080346 -5.9922720994946657

Nb -1.3724474223080847 -1.6725277918253170 -0.9613109067944201

Nb 1.1894945638878909 1.5281942473545609 -3.8890723493057875

Nb 0.9607850651744911 -0.1026222718220708 -5.9221254868145889

Nb -1.3285823471132687 -4.7214332231379359 -0.6988244331958207

Nb 0.9440051241859635 -1.6145487821609237 -3.5175290612656722
Nb 3.1467123607995973 0.1988128641578850 5.9643810150196277

Nb -3.7109560214857140 -0.1238361001158523 -0.4396844028665008

Nb -0.9712999938338669 -1.6081703580820061 3.6210224756730618

Nb 3.0132744783943934 2.6054013306553401 4.9915403466351655

Nb -3.7301841431332292 3.1477207420926163 -0.0059434244878922

Nb 0.8849713350012536 1.5990764492976979 6.1268596623294318

Nb 2.8847286636444807 -2.0866930266759169 5.3414824579588913
Nb 0.4504026285652571 -0.8612688890360971 5.8439909057399735

380
 Nb55 configuration: ∆E tot = −7.27 eV
Nb 4.7699247253532313 -2.7068025533582833 -1.8726299502880011

Nb 4.7027627977555877 -0.1952889364015729 -1.7380806156984523

Nb 4.6735769791054800 2.4799018116220406 -1.3474179198933793
Nb -4.8699180060658147 -2.7779482650386029 -1.1868127026179351

Nb -4.6828374130650223 -0.2591520023860561 -1.8599264006865184

Nb -4.7575171283100914 2.5395001398103840 -2.1406683531912378

Nb -2.3306673026846365 -3.8281556977226208 -2.0276883302076012

Nb -2.7875825037852877 -1.5908996851121717 -3.4759155008309000

Nb -2.5607809142529749 1.2509223813455321 -2.9905479020120911

Nb -2.2609826350065791 3.7186470757758361 -1.6087113493035474
Nb -0.3313197602232112 -2.4623636044264501 -3.5732625540609897

Nb -0.0183682583466869 -4.7078352977043778 -2.3235388825931818

Nb 0.2747304774894417 2.6832103703203085 -3.1184367634018670

Nb 0.0329062955499175 5.2551796343267174 -2.2707073447585948

Nb 2.5023579488345060 -3.6894622715659615 -2.3034965857758163

Nb 2.4367492512661357 -1.2179394455899999 -2.9872521499269435

Nb 2.7761601662172293 1.3090389842452446 -3.4388047324914499
Nb 2.4299207273274526 3.7716105052332640 -1.9087435318128865

Nb 4.0472274135435793 -4.1185858069719021 0.4768077604536831

Nb 5.2495482808212852 -1.6068106047010939 0.8882110303524140

Nb 4.4415637234039451 1.0119148881056841 0.9483206151150174

Nb -6.4081886902289806 -1.5285966869927972 0.0384500495289632

Nb -5.8578809690279074 1.2095460002855791 -0.0099214235819218

Nb -4.3758738515102644 3.6552606399952108 0.1727498343151996
Nb -3.4647089573291696 -3.4230745275137959 1.0944897458988674

381
Nb -2.1753247481487303 -1.3814837824087753 -0.9121698691676858

Nb -2.7672801256232580 1.2397813300952727 -0.1990942844201520

Nb -1.1337651099260828 5.5788345151601124 0.0900602762196332

Nb 0.4221924109747146 -2.1901345186109626 -0.8403723256925453

Nb -1.1046122665189895 -4.3085798446661618 0.4690092217924793
Nb -0.0081532400116995 2.9614829657452280 -0.3958105942760977

Nb 1.7179530060979271 5.4893238875537538 -0.1265626518971086

Nb 1.5109901721998522 -4.9075087589004580 -0.0253055483714348

Nb 2.8547345821123464 -1.7551626944662715 0.0201012464856820

Nb 2.0782347141156503 0.8113973461181399 -0.9004301579305114

Nb 4.3859064321536163 4.1937111382493590 0.2358953053931927

Nb 4.5680502139457406 -0.0729591417434090 3.3694157957395525
Nb 2.9604477530352362 1.7739020050168772 3.5643004327542371

Nb -3.1866520857387473 -1.9181146828087261 3.5730262463403424

Nb -4.1769412796851331 -0.8114265913705143 1.2764097978214650

Nb -4.5698067046276947 1.8190433840428728 2.1245370812909723

Nb -1.6711237852280778 -3.8061048922966974 3.1840899035451233

Nb -1.1496041679825098 -1.6265818960568961 1.7281246982325751

Nb -2.2969805863549393 0.8379932121321492 2.9328204662982191
Nb -2.0359775991919165 3.3781106747000464 1.5340829063578436

Nb 1.0484703982449251 -3.1048002422122778 2.1042241054767796

Nb 0.2417085763153910 2.3481274881332403 2.9040698119716488

Nb 0.5390486401667580 4.8073919896478916 2.0145540145250482

Nb 2.7631503553711401 -4.8308538906071679 2.5238854604327532

Nb 3.7553393348232120 -2.5031115326947138 3.0165333921950364

Nb 1.9994124846366947 -0.2778032131491930 2.1642930439302202
Nb 2.3409778777381387 2.8523424306513938 1.0677787537845358

382
Nb -0.1356360605175126 -0.1332886960393811 3.8090734579680952

Nb -0.2098555853045667 0.5870872016204896 0.7622198191609222

Nb -0.1957060039026537 0.1775677635847011 -2.5052258484916461

Nb55 configuration: ∆E tot = −6.52 eV

Nb -4.4149983716231915 -2.3555360502393743 2.0387957270361010

Nb -2.6162950464305439 -4.7946850843912134 -1.4354068662938744

Nb -3.8900525245307236 -2.5876812484248664 -0.6919170749132633

Nb -2.3358027706602869 -4.0426200163553947 1.4185577692587952

Nb -4.5626119448032441 0.0098740031826221 0.6386820520254162

Nb -0.4675868637594291 -4.3553205999472855 3.6128678448371527

Nb -2.5177589560253111 -2.5560322557442507 -3.2857902747116308
Nb -0.0593369609592358 -5.1572439142647060 -0.2148436600401595

Nb -1.7741576306734643 -2.4196823884534755 3.8900809293650820

Nb -2.0606291762701048 -1.3345977493851340 1.1417772025144028

Nb -3.1465995610357638 -0.0394725474504387 3.2931332310029813

Nb -1.0660413780405307 -2.5995509680645714 -0.8516928796495193

Nb -0.2505516514343995 -4.1178612475554193 -3.0209667382595748

Nb -4.4352193602892171 2.2847999397312204 1.9865329393630571
Nb -2.3330403032354425 -0.0044840197543525 -1.6464809499217239

Nb 0.3184732061797675 -2.8972976431722888 1.5647021039257680

Nb -3.9209932365166580 2.5458023200134559 -0.7534580574242824

Nb -2.0544960883801977 1.2562168512061671 1.0756196857593778

Nb -0.7017119459404526 -2.2806210101240172 -5.4148991690165795

Nb 1.8544168963904966 -5.1759015522156151 -1.8490657757755145

Nb -1.9141079712939515 -0.0397239945007986 -4.5475480209646557
Nb 2.6822761159847985 -4.1256464602596825 0.9176371328596229

383
Nb 1.2609868446512351 -2.2793263071434300 4.1858124003353918

Nb -0.4246957293265936 -0.0639983964945205 5.1719040809290497

Nb 0.0663724800808083 -1.2094895100711316 -2.7917042980314477

Nb 1.7960130404779093 -2.6616408499167878 -1.1323011857983971

Nb 0.0153382216177746 -0.1078989135102351 2.6944231830865597
Nb -2.4573011476273408 2.4272870579820758 -3.2986297804584419

Nb -1.7862385562582759 2.2645701994476664 3.6755641579140566

Nb 0.4262348095748152 -0.0789296846375525 0.0006972340151350

Nb -2.4507315337382565 4.1123950124633577 1.3042481629300067

Nb -1.0873461444785519 2.5595833321420454 -0.8641903555147934

Nb 1.5804774710377032 -2.7533213271911823 -4.2945867896462326

Nb 2.5639392033297881 -1.3856348430334808 1.6543328544526172
Nb 0.3604140014034911 1.3572741749042248 -2.8740923354567229

Nb -2.6019595304890757 4.7706452213043544 -1.3053374066756760

Nb 0.1698848895923177 2.7757324342834035 1.8704503623800672

Nb 0.8471312222848226 -0.0484753812002001 -5.1576125758614078

Nb 4.4124155149831736 -2.2959930852892629 -0.6209239239843924

Nb 2.4833296201092097 -0.0811406519321398 4.2639689942775458

Nb 4.8115184816326533 -2.6950011392645994 1.7592559568183201
Nb 3.0089223933763449 0.0738820296399521 -1.0192618869020009

Nb -0.7277489285012209 2.2564034307113783 -5.1798711380698856

Nb 0.9390771873584711 1.9675631381104122 4.5070549539594094

Nb 2.5780557604309351 1.3887647133278076 1.9185397033848943

Nb -0.1344680914490439 5.2884028917258554 2.1826629855828354

Nb 1.6013359305271777 2.4996217428418870 -0.5666177676835247

Nb 2.7373267372910490 2.9339511117066390 -2.9706272670698581
Nb 0.0775623019758953 4.0084389904156463 -2.8022907104631258

384
Nb 2.6058614912456406 4.3779334573074689 1.1010437449109105

Nb 4.8449020891980084 0.0556060607770430 0.9684639034743867

Nb 4.7637799421423423 2.8685263720261300 1.9120242748428904

Nb 0.0633631009107276 5.1601865711671060 -0.2163407988826265

Nb 2.8929768925243522 4.7901034848676627 -1.5021557720400551
Nb 4.4300955574588770 2.5112442987018024 -0.4402201117326570

Nb55 configuration: ∆E tot = −1.41 eV

Nb 0.0000000000000036 0.0000000000000000 0.0000000000000000

Nb 2.0011439040516059 2.0011439040516024 0.0000000000000000

Nb 0.0000000000000036 2.0011439040516024 2.0011439040516024

Nb 2.0011439040516059 0.0000000000000000 2.0011439040516024
Nb 0.0000000000000036 2.0011439040516024 -2.0011439040516024

Nb 2.0011439040516059 0.0000000000000000 -2.0011439040516024

Nb 0.0000000000000036 -2.0011439040516024 2.0011439040516024

Nb 2.0011439040516059 -2.0011439040516024 0.0000000000000000

Nb 0.0000000000000036 -2.0011439040516024 -2.0011439040516024

Nb -2.0011439040515988 0.0000000000000000 2.0011439040516024

Nb -2.0011439040515988 2.0011439040516024 0.0000000000000000
Nb -2.0011439040515988 0.0000000000000000 -2.0011439040516024

Nb -2.0011439040515988 -2.0011439040516024 0.0000000000000000

Nb 4.3858913428306643 0.0000000000000000 0.0000000000000000

Nb 0.0000000000000036 4.3858913428306607 0.0000000000000000

Nb 0.0000000000000036 0.0000000000000000 4.3858913428306607

Nb 0.0000000000000036 0.0000000000000000 -4.3858913428306607

Nb 0.0000000000000036 -4.3858913428306607 0.0000000000000000
Nb -4.3858913428306572 0.0000000000000000 0.0000000000000000

385
Nb 4.0971029789437985 1.9634421314639212 1.9634421314639212

Nb 4.0971029789437985 1.9634421314639212 -1.9634421314639212

Nb 4.0971029789437985 -1.9634421314639212 1.9634421314639212

Nb 4.0971029789437985 -1.9634421314639212 -1.9634421314639212

Nb 1.9634421314639248 4.0971029789437949 1.9634421314639212
Nb 1.9634421314639248 4.0971029789437949 -1.9634421314639212

Nb 1.9634421314639248 1.9634421314639212 4.0971029789437949

Nb 1.9634421314639248 1.9634421314639212 -4.0971029789437949

Nb 1.9634421314639248 -1.9634421314639212 4.0971029789437949

Nb 1.9634421314639248 -4.0971029789437949 1.9634421314639212

Nb 1.9634421314639248 -4.0971029789437949 -1.9634421314639212

Nb 1.9634421314639248 -1.9634421314639212 -4.0971029789437949
Nb -1.9634421314639177 4.0971029789437949 1.9634421314639212

Nb -1.9634421314639177 4.0971029789437949 -1.9634421314639212

Nb -1.9634421314639177 1.9634421314639212 4.0971029789437949

Nb -4.0971029789437914 1.9634421314639212 1.9634421314639212

Nb -4.0971029789437914 1.9634421314639212 -1.9634421314639212

Nb -1.9634421314639177 1.9634421314639212 -4.0971029789437949

Nb -1.9634421314639177 -1.9634421314639212 4.0971029789437949
Nb -4.0971029789437914 -1.9634421314639212 1.9634421314639212

Nb -1.9634421314639177 -4.0971029789437949 1.9634421314639212

Nb -4.0971029789437914 -1.9634421314639212 -1.9634421314639212

Nb -1.9634421314639177 -4.0971029789437949 -1.9634421314639212

Nb -1.9634421314639177 -1.9634421314639212 -4.0971029789437949

Nb 3.8224909546381163 3.8224909546381127 0.0000000000000000

Nb 3.8224909546381163 0.0000000000000000 3.8224909546381127
Nb 3.8224909546381163 0.0000000000000000 -3.8224909546381127

386
Nb 3.8224909546381163 -3.8224909546381127 0.0000000000000000

Nb 0.0000000000000036 3.8224909546381127 3.8224909546381127

Nb 0.0000000000000036 3.8224909546381127 -3.8224909546381127

Nb 0.0000000000000036 -3.8224909546381127 3.8224909546381127

Nb 0.0000000000000036 -3.8224909546381127 -3.8224909546381127
Nb -3.8224909546381092 3.8224909546381127 0.0000000000000000

Nb -3.8224909546381092 0.0000000000000000 3.8224909546381127

Nb -3.8224909546381092 0.0000000000000000 -3.8224909546381127

Nb -3.8224909546381092 -3.8224909546381127 0.0000000000000000

Nb55 configuration: ∆E tot = 0.00 eV

Nb 0.0000000000000160 0.0000000000000124 0.0000000000000124
Nb 0.0000000000000160 1.4289231662540285 2.3315990439666354

Nb 0.0000000000000160 1.4289231662540285 -2.3315990439666123

Nb 0.0000000000000160 -1.4289231662541617 2.3315990439666354

Nb 0.0000000000000160 -1.4289231662541617 -2.3315990439666123

Nb 1.4289231662540338 2.3315990439666354 0.0000000000000124

Nb -1.4289231662541582 2.3315990439666354 0.0000000000000124

Nb 1.4289231662540338 -2.3315990439666123 0.0000000000000124
Nb -1.4289231662541582 -2.3315990439666123 0.0000000000000124

Nb 2.3315990439666407 0.0000000000000124 1.4289231662540285

Nb 2.3315990439666407 0.0000000000000124 -1.4289231662541617

Nb -2.3315990439666088 0.0000000000000124 1.4289231662540285

Nb -2.3315990439666088 0.0000000000000124 -1.4289231662541617

Nb -4.5406710950581441 0.0000000000000124 -2.8217491642381880

Nb 0.0000000000000160 2.8217491642382129 4.5406710950581708
Nb 0.0000000000000160 2.8217491642382129 -4.5406710950581477

387
Nb 0.0000000000000160 -2.8217491642381880 4.5406710950581708

Nb 0.0000000000000160 -2.8217491642381880 -4.5406710950581477

Nb 2.8217491642382164 4.5406710950581708 0.0000000000000124

Nb -2.8217491642381844 4.5406710950581708 0.0000000000000124

Nb 2.8217491642382164 -4.5406710950581477 0.0000000000000124
Nb -2.8217491642381844 -4.5406710950581477 0.0000000000000124

Nb 4.5406710950581726 0.0000000000000124 2.8217491642382129

Nb 4.5406710950581726 0.0000000000000124 -2.8217491642381880

Nb -4.5406710950581441 0.0000000000000124 2.8217491642382129

Nb 0.0000000000000160 4.8331750066287231 0.0000000000000124

Nb 0.0000000000000160 -4.8331750066290127 0.0000000000000124

Nb -4.8331750066290091 0.0000000000000124 0.0000000000000124
Nb 4.8331750066287249 0.0000000000000124 0.0000000000000124

Nb 0.0000000000000160 0.0000000000000124 -4.8331750066290127

Nb 0.0000000000000160 0.0000000000000124 4.8331750066287231

Nb 1.4995946672620715 -3.9071677286503741 2.4118205029687729

Nb -1.4995946672620377 -3.9071677286503741 2.4118205029687729

Nb 1.4995946672620715 -3.9071677286503741 -2.4118205029687481

Nb -1.4995946672620377 -3.9071677286503741 -2.4118205029687481
Nb 3.9071677286504034 -2.4118205029687481 -1.4995946672620413

Nb 3.9071677286504034 -2.4118205029687481 1.4995946672620697

Nb -3.9071677286503714 -2.4118205029687481 -1.4995946672620413

Nb -3.9071677286503714 -2.4118205029687481 1.4995946672620697

Nb 1.4995946672620715 3.9071677286503981 -2.4118205029687481

Nb 1.4995946672620715 3.9071677286503981 2.4118205029687729

Nb -1.4995946672620377 3.9071677286503981 -2.4118205029687481
Nb -1.4995946672620377 3.9071677286503981 2.4118205029687729

388
Nb -2.4118205029687463 1.4995946672620697 -3.9071677286503741

Nb 2.4118205029687765 1.4995946672620697 -3.9071677286503741

Nb -2.4118205029687463 -1.4995946672620413 -3.9071677286503741

Nb 2.4118205029687765 -1.4995946672620413 -3.9071677286503741

Nb -3.9071677286503714 2.4118205029687729 1.4995946672620697
Nb -3.9071677286503714 2.4118205029687729 -1.4995946672620413

Nb -2.4118205029687463 -1.4995946672620413 3.9071677286503981

Nb 2.4118205029687765 -1.4995946672620413 3.9071677286503981

Nb 2.4118205029687765 1.4995946672620697 3.9071677286503981

Nb -2.4118205029687463 1.4995946672620697 3.9071677286503981

Nb 3.9071677286504034 2.4118205029687729 -1.4995946672620413

Nb 3.9071677286504034 2.4118205029687729 1.4995946672620697

Pt6 Nb49 configuration: ∆E tot = 0.00 eV

Pt 0.1844287392139021 0.5863546430764895 -6.0665874231158412

Pt -2.0658306612455886 3.0424875256564174 -3.0586293935462137

Pt -4.4277658774917326 2.7547542487249923 -1.6112257340961751

Pt -4.5766088749112361 0.0162563951221966 -2.9439202647109757

Pt 0.2083717026840075 3.0777381351665980 -4.6093323478181940
Pt -2.2683944506892217 0.1129821306766508 -4.7118524771667518

Nb -4.3424094999293130 -1.5260160541510672 1.8034350087917512

Nb 2.3513039495117689 0.5800977721457631 -1.6966072835571095

Nb 0.2518831728347934 -3.7396190265259879 3.4332687791044183

Nb -2.3608483318492013 -1.8509112023886558 -3.0284691123828686

Nb 2.3242788532443761 0.7417314276475605 1.5047459646420100

Nb -2.1965136798923650 -1.5927429707540670 0.1436959103239913
Nb -4.5083556314907955 -1.9070326061068215 -1.2394639150687707

389
Nb 0.0198403289353181 0.6781852513494239 -3.3890287216273225

Nb 0.1150229599410450 -1.3027341279354665 4.8645249386343901

Nb -2.1771059651031988 -1.4413470052842363 3.4035465354863095

Nb 0.0735976656821113 0.8007319737569588 -0.2026713488196869

Nb 0.0871446035724054 0.8441269346558181 3.0398380420910871
Nb -2.1817994156188134 3.0158502564569281 -0.2991183132870252

Nb -0.0401218797185286 -1.6787801260017521 -4.6379409860606762

Nb 4.6553054380959793 0.4722896483045854 -3.0962849621578106

Nb 2.2416306949943352 -1.8183948650760879 -3.1991257830238542

Nb -0.0497339459955933 -1.6500463412219568 -1.5311099534642896

Nb 4.7018042395060213 0.5216552874095796 -0.0715260066714997

Nb 2.2877470029238314 -1.6406164656452160 0.0697883640383915
Nb 0.0533128792303445 -1.5223955308826869 1.7240225341873290

Nb 2.3680410049877190 -1.5014690260298840 3.3385744389113445

Nb -4.3853870771836885 0.9291498986282350 2.9251752550486896

Nb 2.5020691847092129 2.5630805270548622 -3.5901923815351733

Nb 0.2840639766175159 3.0116448716025017 -1.8663168789225502

Nb -2.0988974743517637 0.9994971925856974 4.6216376611698413

Nb 2.5421623474330581 2.9609418360220059 -0.2770981781938290
Nb 0.1506993907965201 3.1741704468422514 1.3061817235175464

Nb 0.0593805429783942 1.0266732649858274 6.0340548050751259

Nb -2.2519285117056906 -3.9844042220817562 -1.1269831893323801

Nb 4.3767168016371798 -1.8013924533757082 -1.5686035080862690

Nb 4.6408066758618984 0.6469577096060030 2.8980555406138055

Nb -2.1222526733363787 -3.7613174725250156 1.9782957116727087

Nb 4.5628567150538570 -1.4738800665175547 1.7017637234352569
Nb 2.2708378841344938 0.9381944372023815 4.6919968890307233

390
Nb 4.6589579243331185 2.5891352249041306 -1.8315527524197224

Nb -4.3094105896589490 2.9323220537968151 1.2833817596637340

Nb -2.3272925156673687 0.6745371845873253 -1.7977125264742946

Nb -4.2080538056399748 -3.7986083159801423 0.5377442071728732

Nb -2.1793279539769483 3.1239801358420163 2.8445639566966796
Nb -2.1502351143559530 0.7795772305126470 1.4600900142233380

Nb -4.5171112127058057 0.6814196101003142 -0.0297427164050820

Nb 0.1748892048197845 3.0969554292234553 4.4466370033828007

Nb 2.1374516744748639 -3.8518449126712317 -1.4875312125227964

Nb -0.0790175333556725 -3.9293087697757221 -2.8372657123711424

Nb 2.3515897444613967 3.0385392521985155 2.9568891202285568

Nb 2.1718947573070766 -3.7589547847764520 1.9746469483826510
Nb 0.0898028713268215 -3.9619060839674649 0.3377588123956595

Nb 4.5244103055448432 2.8155074738881054 1.3178016400816919

Nb 2.4020994390257946 0.2661970199418773 -4.8362222051644013

Pt6 Nb49 configuration: ∆E tot = 1.06 eV

Pt 1.0256484193903947 3.8937974426852744 -2.6952466312270200

Pt -1.6061522500225980 3.9160249256718860 -3.7517344205394867
Pt -1.7458278310562196 4.0793091422111543 -0.8650640442574482

Pt 0.6096686506140345 -4.9757988159545503 0.2970382839948729

Pt 0.4943478600291029 -4.7297053603658075 3.0223658332593231

Pt -2.6279002067893025 -4.5487424662866909 1.6450501682844831

Nb -4.6573895370716842 -0.2101847630357900 -1.7398104382084600

Nb 4.6661134200648231 1.3893890048861630 -0.0515354472724159

Nb 1.8006005545859591 -2.8228313715847779 1.6902184375445670
Nb -1.8406218141255799 -5.0879376766044730 -0.9680074693597893

391
Nb 1.9840400431659400 1.6910254568221967 1.6883340799929134

Nb -0.8122128907249999 -2.5733404210176971 3.6935029943006206

Nb 0.4778904992470576 -0.4992350349101516 -2.9188002577883503

Nb -0.5766682446829547 2.0274031302783939 3.6856006125507075

Nb 1.7169964038790408 -2.9685102049268233 -1.1181068925893962
Nb -2.1234659483628207 -0.2874864412289310 -0.9555256433346559

Nb -2.2575123724778141 -0.3736376819345389 -3.8053449234260563

Nb -0.8633943168217029 -2.7917474352971690 0.8932938794569023

Nb -4.3834970838902185 0.0194786889451469 3.5764946848152990

Nb -4.5955579134421267 -0.1279350861758649 1.0154510431438641

Nb -3.4422556091060694 -2.2790254374227126 2.8913483502508250

Nb 4.5191848519087081 1.3614953528931197 -2.7159024334957511
Nb 2.0048136525439171 1.6530156167439713 -1.0641500378698936

Nb -0.6245481822519119 1.9902566105112127 0.8149336361154484

Nb 3.2722501943154834 -0.7445288964187079 0.7161068660082190

Nb 3.1645526805732098 -0.7253802519769529 -2.0416662529568343

Nb -3.1159532518726194 2.1384853771269556 2.6658933273919208

Nb 0.6107001272262951 -0.4455079434467545 2.6303388861572818

Nb 0.5976242758665007 -0.5607550726016627 -0.1536075111495094
Nb 1.7449782160955922 -2.6477704440271497 4.3778979192689134

Nb -1.9850803199467850 -0.1429582302539378 4.5132128706934500

Nb -1.9781219876804776 -0.2372917479094533 1.7786324810200793

Nb 4.5080864537019014 1.5794877285340627 2.7374871480092744

Nb 3.5015707800286027 3.6945221434514623 0.8324471135533276

Nb 3.5905123683837745 3.5148257941736367 -1.9140838982111741

Nb 2.1004558390540966 1.7211292774954288 4.4784393406132272
Nb 0.8066107297557987 4.0332608888346844 2.6978891991112026

392
Nb 0.8509686442131092 4.1301293016564227 -0.0364830012048922

Nb -0.7847379423797343 1.6923513865781559 -4.8088383552122291

Nb -1.0657264648054432 -2.6187657024795037 -1.9808670893983851

Nb -1.6781522261599977 4.2377231984963188 1.8865607432154241

Nb -1.0099037274980081 -2.5217602882329828 -4.6787134099080792
Nb -3.5121407644996729 -2.5330844557732259 0.0240052590951974

Nb 3.1786599501264279 -0.6209681566024868 3.5496557049165869

Nb 1.4265339032636835 -2.7799315326319207 -3.9066310308829060

Nb 1.9839729691154075 1.5794513303048956 -3.9621656888785357

Nb 0.6348124670090589 -0.5412403128040956 5.3309531110370081

Nb 0.5492548081183048 -0.4501202964234475 -5.6745566741812681

Nb -0.6862158193485974 1.9124416964999189 -2.1030390643695913
Nb 3.3590439084390011 3.6755051311185571 3.5168652279491526

Nb 2.9255791631983232 -0.6947239022958626 -4.7461591846755908

Nb -3.2985947950168186 2.0620512673009861 -0.1076509725203278

Nb -3.6314969835247233 -2.3995635382713298 -2.6278357362579925

Nb 0.0049371718718920 -5.0319454026718962 -2.3571727617467468

Nb -3.2072805222265570 1.9798544783473393 -2.9013179308273029

Pt6 Nb49 configuration: ∆E tot = 3.04 eV

Pt -3.1436485894877779 0.9142008904917307 -5.2028441097011475

Pt -3.3023716379621786 -2.0381683932503449 2.1418428262960294

Pt -5.0724898953106425 3.1387950440829862 1.2421303160309731

Pt 4.4550447674018328 2.7928357957806336 0.1101363777601729

Pt 4.0748787424196573 -4.2546339076679205 0.4883067342757512

Pt 0.9946526309215118 0.5252009045734574 4.2977841076533858
Nb -2.2584891624012102 -1.5314909516286854 -4.5656426053291499

393
Nb 2.1310833264068791 -4.5198348703651057 -1.4464594051544679

Nb -0.3239559747476264 -4.4104438350419573 -0.4854196898520431

Nb -1.1319917803466493 -0.5041555367459334 -2.2087919707162920

Nb -2.4622649727228905 2.2454418647104797 -2.8706272080576500

Nb -0.5550141861571629 1.0870739746100124 -4.5700517187160630
Nb -4.1982053555558805 0.7730383491822688 1.8494360167032371

Nb 1.5274925264770312 -0.8472634700392305 1.9720271122055781

Nb 0.4957731468511239 1.7238148257914729 -1.8209483148957164

Nb 2.7413098462252017 0.6671303790010596 -0.2396865445023682

Nb 1.6132662875260715 -3.6055102253366726 1.3536507735841348

Nb -3.8091825014230669 -0.1116691077706964 -2.7867324347269595

Nb -2.0987076885080165 -2.1149291237006294 4.7565005457367855
Nb 5.5263293836861820 0.3035276456518845 -0.5754274895999549

Nb 1.9153023425241411 3.5511108972608501 0.0733247370158118

Nb 4.5767641278075830 0.0861022260736792 -2.7300004637560864

Nb -2.2014178587578210 1.1377048744239149 -0.2617650922203836

Nb -2.7174718453409867 -2.9919673937728755 -1.8717804300959566

Nb 0.1821336418673809 4.1964451277242460 2.0109460535730213

Nb 0.1015419143189600 -1.5460675649611852 -4.9117193584137127
Nb 4.1538479656577465 -1.7419639235697555 1.2686267558864417

Nb 3.3607251198603332 2.4589580272473048 -2.3212933861273162

Nb -0.4823597946618015 3.8551729393685648 -3.6400315801730092

Nb 0.1278829413288507 1.4567850525676429 0.9530080145684796

Nb -1.5045241244781145 -0.0384862394910859 2.6118562797530678

Nb 3.4292938275302283 -0.6227473556231091 4.0095150358287510

Nb -3.7775498639266254 -1.1887238143994492 -0.3037778513188452
Nb -1.4940622215787815 0.2219802793806616 5.4264062259101573

394
Nb -3.2353654448052533 1.8565900075969810 4.2747224487727689

Nb -0.9236471830479114 -1.7678640664372041 0.2989997378148918

Nb 2.4230548744133267 -3.0802646582210729 -3.4429814268887178

Nb -4.8070773121189250 1.6142191493410512 -1.0192734852295484

Nb 1.8144892665357135 -0.3063112271142114 -3.0259032804615047
Nb 4.4370248357300630 0.7569894227351455 1.9549977517012984

Nb -2.7753507214838886 -4.0335149816671896 0.3917192438132193

Nb 3.0609880346567402 -2.9715599272197961 3.4230896938293580

Nb -0.9694889375597984 -3.3999093097953024 2.4231502033158567

Nb 0.5712991117322244 -2.1123540547765636 4.1886137118607873

Nb 1.4949442114127007 4.4539440335219540 -2.5004123661812647

Nb -0.8127931964172457 3.8377127835729867 -0.6692684824464086
Nb -3.4473936398866010 3.7814857660002392 -0.8714676819605283

Nb -2.3769572871287239 2.9370730209441973 1.7130613676647719

Nb 1.7826913412828991 2.2537352692367794 -4.3490954135494322

Nb -0.5913783446930689 2.5185949677972284 3.7644795561569726

Nb -0.1389447020235317 -3.1069946665347432 -2.8333799409370592

Nb 3.9470521127693625 -2.1188792830457208 -1.4687260146532541

Nb 1.4580978222020431 -1.7930848837752213 -0.7867043862714793
Nb 2.2320404977056429 2.1323271933532260 2.5215138761903484

Nb -4.0169004247192488 -0.5191979400709732 4.2603666280342694

Pt6 Nb49 configuration: ∆E tot = 4.68 eV

Pt -0.1584538044251619 0.0017775947510860 -0.0931539821656451

Pt -1.5167778592729155 3.9531073157445391 -0.7037410860431030

Pt -2.5856056330258723 -0.8605583689999332 2.4619034806868858
Pt -3.0319101288291379 -0.1602833634636982 -2.2662110559652189

395
Pt -4.2872233610211277 -0.5623959126953311 0.2463096512579195

Pt -3.1491695797707959 2.5816092472100283 -2.4803557970815042

Nb -0.5109605893163219 1.1777452446837360 2.3946624361910320

Nb -0.5310848256252499 1.6294963230939941 -2.4339957077952690

Nb 0.2318434273637567 -1.6657232283866004 2.0987118164414245
Nb -0.5314514321811200 -1.3016679264789477 -2.5439226347323545

Nb 0.8018948125829183 2.6064772315387570 0.1161094817038844

Nb 1.0935051796237587 -2.4347646499296589 -0.4875066301272442

Nb -1.8936212251272446 -2.0340291179270493 -0.0304053959052604

Nb 2.0472406055377732 0.4611107266311134 1.4763388662724128

Nb 1.9469486552123825 0.2414072186883265 -1.6756586197832550

Nb -4.8335174587162921 1.7918694261602808 -0.6978914397636988
Nb -0.2246869110309257 2.9533969944506842 4.6220781651409313

Nb 0.4901866098171158 2.6915128972817990 -4.9043334898664233

Nb 0.6843208960234489 -3.1766871694846017 4.5968297620209064

Nb 0.0943230957917792 -3.1062830303911801 -4.7827001451572464

Nb 2.8736572029367502 4.7592887187990485 0.2643632297708514

Nb -3.7994032642640136 3.7900340251920346 0.6210515171706479

Nb 2.4749898372879473 -4.6629430019453526 -0.0835971104777127
Nb -2.8441286126753105 -4.7044628337748398 0.1119287402410187

Nb 4.3205817576210732 0.4685441006028587 3.1164256727687345

Nb 4.4590398729258487 -0.1684411968837958 -2.4861684848836449

Nb -3.7669961984555713 1.5535359531377455 2.2314580766911281

Nb 0.5397015344901878 5.2188453120935288 0.4299064263709582

Nb -0.3175007062299932 -4.7366477748947533 0.2165497280632274

Nb 4.4575960741061138 0.0492421417242097 0.2520229581806135
Nb 0.3504520840521546 -0.1403363779317439 -4.7718835172736158

396
Nb 0.3637592188062875 -0.2344837539917222 4.6592997366273723

Nb 1.6458119539447622 -3.9738900203916945 2.2445918171693098

Nb -1.4250646407329925 -3.7066193594536472 2.5870088743159378

Nb 1.2634872783758484 -4.0461221731746919 -2.6323346180901845

Nb -1.3722593701115888 -3.9422713751796472 -2.3348529701437966
Nb 3.7716691817236851 -2.4079316730711793 -1.3002743337446636

Nb 3.3990562993730653 -2.0884297893760913 1.3659350762342264

Nb -3.7046860463320708 -2.6303506282878848 -1.7059594345559506

Nb -3.9636301617986640 -2.9542639392391150 1.4503482045388998

Nb 1.4904717115267838 3.6683614463982144 -2.2428514936679003

Nb 1.4137387329898450 3.6322603782261313 2.6162117149906732

Nb -1.0029062723187494 4.0478504773502797 -3.3319728436959548
Nb -1.7053625829854078 3.5634713082020353 2.2584123472783997

Nb -1.9928843885072045 1.0445067728642063 -4.4658538788197504

Nb 2.5172345024021463 1.6034738502009696 -3.8309417347139778

Nb -2.1549986432731694 -2.0061723859700278 -4.3437823608550170

Nb 2.2725690703382244 -1.7400821111743496 -3.5955734995394013

Nb -2.3235676697624270 1.4581839732866235 0.0757840603317723

Nb -1.5270969635001432 -2.0028628914065445 4.5666804269748589
Nb 2.5992822274113281 -1.4510321071124446 3.8680388069936127

Nb 2.3084575716857167 1.5418567231385973 4.1536852328129603

Nb -2.0652827540198229 1.3411999057946942 4.4456777996714925

Nb 3.6078625037451819 2.3134678453881552 -1.0262049077367956

Nb 3.7005491856134101 2.7561030083828522 1.7038030656725021

Pt6 Nb49 configuration: ∆E tot = 5.05 eV

Pt -0.1366266192626089 0.1135569130347561 -0.0463153381091271

397
Pt -1.5272986951676244 3.3014008848236345 0.1225027599116794

Pt -4.1571832920638174 3.0890111195589189 3.5666330086867468

Pt -2.4861488249748178 -0.5453671764504971 -2.0005978737644372

Pt -4.5034305988138525 -1.4140494798754850 0.9905668737776999

Pt -3.1017547644286978 2.3093412145227021 -1.8949833988562752
Nb -0.1338677504804515 1.9640028561462315 2.1100321975107197

Nb -0.4106258710581505 1.5741004174718811 -2.3158297522298295

Nb -0.3732956064649251 -1.0634397606343082 2.4603570685622227

Nb 0.3572338615220154 -1.0569844365315197 -2.4566292647123773

Nb 1.3999092060325813 2.4285439632484054 -0.4580673850723204

Nb 0.8838475701326285 -2.3853068231646222 0.0404728900268095

Nb -1.8980023014004299 -2.1421375450740330 0.1836619049269560
Nb 1.9642729940174857 0.3746524845078479 1.7826912497478717

Nb 2.5627659431386576 -0.0416745095127455 -0.9269804317274061

Nb -4.6545660640530215 0.4747184705394674 -0.8011220609470796

Nb 0.0225654368548087 2.9671795923331006 4.6041295857298774

Nb 0.0645892613159656 2.8919082339824231 -4.7650086209627185

Nb 0.1352411255380939 -2.6222583838001907 4.4257987738789879

Nb 0.4757600897314767 -2.4363067982572324 -4.8946056567561209
Nb 3.2053022682017072 4.5568499258677413 -0.8076334284493102

Nb -4.1992947083738539 2.7537980542962441 0.7058339069336396

Nb 2.3570286533434555 -4.6732782438110503 -0.0975886740953772

Nb -2.8463680531061670 -4.9596689203517084 -0.3553452511467071

Nb 4.5022868840303909 -0.0525753013194824 3.0464850095631104

Nb 4.6923381425761663 -0.2596860793261634 -2.5538919746073869

Nb -4.7799510091360355 0.8369452774978082 2.3541869342261359
Nb 0.7327686604474626 4.8492798639215353 -0.0917379697269504

398
Nb -0.2303810874082987 -4.9576597283656882 -0.2752859377393747

Nb 4.8528152084717444 -0.2511689773399481 0.4154670999493874

Nb 0.3526978623586305 0.3274976427542343 -5.0376139463128409

Nb 0.3460296806696777 0.4877990995692059 4.6584336607806307

Nb 1.3503386628927208 -3.8092124069423661 2.4085065547925417
Nb -1.2477467458355198 -3.9966388436021547 2.0959766645494318

Nb 1.2461261388871243 -3.8867962033738617 -2.5888765493977894

Nb -1.2919487747743288 -3.4071504672347226 -2.3684974027344672

Nb 3.4279119661283080 -2.6082786528624600 -1.4629684772357046

Nb 3.3471667798804461 -2.2143379662687424 1.4443488546213603

Nb -3.8890553835201489 -2.8371400555529758 -1.2956905204077016

Nb -3.8373362613730091 -3.8449647721937912 1.6698730568894831
Nb 1.6425582794613005 3.9296122282046855 -2.9134875903905613

Nb 2.0370456364045584 3.6562149175233576 2.0550689923096632

Nb -1.0474617434464273 4.0132473227708969 -2.4345454918299896

Nb -1.7874434479031662 3.7137443626647251 2.7218164635407684

Nb -2.1557875410777596 1.1942540626792235 -4.1620226572290164

Nb 2.2932209779223416 1.3687045702564413 -3.4740643269542137

Nb -1.7982671538213011 -1.5086162847537188 -4.4249119039728528
Nb 2.7524581753203843 -1.3274121342115355 -3.8116248782832374

Nb -2.5703330947099778 0.7028714770418726 0.7711768922173731

Nb -2.8034027738985565 -1.5494893530059377 3.1187748408085709

Nb 2.4024291853211910 -1.4443339911171340 3.9439095263417840

Nb 2.6493260691538740 1.8416315432206600 3.8663455662311983

Nb -2.3044048747180383 1.1028248348984335 3.7494053610080091

Nb 4.0857398226846398 2.3527528061553853 -1.6786407256245630
Nb 4.0302084988311497 2.1194891554422539 1.0821117917530823

399
 Pt6 Nb49 configuration: ∆E tot = 5.53 eV
Pt 0.8851503009574382 -1.4734487136500285 1.5157800914872326

Pt 0.0912533094838510 1.6897956894651065 -1.9570653267959519

Pt 2.9240702579994173 0.4005270248004546 1.1396932411351701
Pt 1.6313392473516013 -3.9344230720617905 2.4402262667546974

Pt -4.1141859754807113 -0.3627675409398544 -3.2115510532798921

Pt -2.2208262559799516 -3.1100339957830130 4.5011109039954151

Nb -2.6088647837448580 -2.0196945899076790 -4.7845137822492170

Nb 1.1517898877917327 -3.5589165429465512 -0.2532476930587063

Nb -1.0556310910110571 -4.6530445759371455 -0.6191063478988167

Nb -1.5458217801659464 -0.3245199651964537 -2.6368377382622259
Nb -2.6358277412312834 2.3149841843914403 -2.9698016581274800

Nb -0.3690451183863219 1.7280758209526210 -4.8618262773212972

Nb -2.5527199781134793 0.7327222877491424 -5.1917374021343186

Nb -4.0883586013011914 0.3472396425271913 1.6341215294920921

Nb -3.5187199370912623 -2.3674031668010183 2.0990262250055145

Nb 5.2586863785357920 0.2029512166013276 -0.6360569093250191

Nb 2.3320069245730193 3.2951875248071754 0.4344693699406882
Nb 3.8694120311415707 -1.1018503561300348 -2.7347979871233878

Nb -2.1094584620712329 1.1690109430739004 -0.2917620226197107

Nb -4.5559579185980636 2.7654713983920476 0.8306394342873983

Nb -2.9547303980290276 -3.0851420450930926 -2.2992531277449384

Nb 0.4334777104268417 4.0589374439267978 2.3686525412511541

Nb -0.4300911600275477 -1.1666020068137695 -5.2701097814845408

Nb 5.4979569712077101 -0.7341700515079606 1.7390934217859195
Nb 2.8324375535190973 1.2814914028620923 -1.4906728240093081

400
Nb 4.7231652333100005 2.9151875321954983 -1.2212042436798034

Nb -0.3244860726660574 4.0108278051157376 -3.0763983569888853

Nb 0.4142270100381973 1.3281666741130631 1.0491887370146509

Nb -1.4290045169960022 -0.2588353697990289 2.4429661300686454

Nb 4.5580368670248408 0.9262754118252461 3.3797255527918351
Nb 4.0566689904234394 -3.7447510658038059 1.6133998052533443

Nb -4.0910442713498325 -1.3143252278361259 -0.7111302294015153

Nb -1.1885661365436493 -0.1830902661946799 5.0979720392302337

Nb -3.3619338061781976 1.6370721905203742 3.8808125258652666

Nb -1.4231417217057125 -1.7207844531286323 -0.1642049563353462

Nb 2.3358827604499397 -2.8941062236823951 -2.8567545887946926

Nb -4.7295909795612392 1.4486403633965275 -1.2327644026368840
Nb 1.4242349689475671 -0.2632231436234299 -3.7248706148510857

Nb 4.9462361431190498 2.2059738680181824 1.2447410020399203

Nb -3.3970166510994728 -3.9469085016541654 0.1490835503506954

Nb 3.3085520555500230 -1.7747259423359376 2.9695739637462220

Nb -1.1284153868496658 -3.4629736826413149 1.9985500590786980

Nb 0.2124750667169774 -2.2386383075705552 4.0795038421189354

Nb 2.0132720001058910 4.1321358564697341 -2.1510920066803809
Nb -0.3468522101534948 3.7901327154950448 -0.2235355658674848

Nb -2.9932329887670166 3.7934614411264955 -0.9485485109489734

Nb 1.5366829810238103 0.0871158891286945 3.7208078024025348

Nb -2.0962681026816612 2.7760497622659286 1.9261908058373225

Nb 2.0591741267890247 2.4426081420581229 -3.9425504400261224

Nb -0.2909135069817799 2.0690765000408367 3.9019024561294833

Nb -0.3281693996450628 -2.8637157430711810 -2.8052015851421914
Nb 3.3966885763717523 -1.9826698857263028 -0.1539689509147223

401
Nb 1.0657771959599180 -0.7789446364787771 -1.1034873570788688

Nb 2.4836635761301697 2.5541237958927518 3.0135561230561096

Nb -3.5534431725378921 -0.7835334548968131 4.3532643206625856

Pt6 Nb49 configuration: ∆E tot = 6.67 eV

Pt -0.2059629033953490 0.0170306319395677 0.0164843326570072

Pt -1.6779448036868476 2.3233065276226816 -0.1314342718371957

Pt -3.6084369271865455 2.5705520510861124 1.7472201308977631

Pt -2.6217897917711865 0.2381870388826406 -1.6703327199746278

Pt -5.3120298567501045 -1.0630868665629427 0.6263183178952174

Pt -3.2581402863961362 2.9628280105264864 -2.3388796748278735

Nb -0.4746123250665792 1.2486918125078117 2.3646517383151271
Nb 0.1374566761704110 1.1955538495925480 -2.4100216572288571

Nb 0.6357645074339655 -1.2618147317688562 2.3622126222373252

Nb -0.6781905758417361 -1.4553244933023974 -2.2948096696935871

Nb 0.9191285367737672 2.7517329489599862 0.1273872049411608

Nb 1.1752884792969878 -2.3548024923518458 -0.5261641649011042

Nb -1.3117300769925400 -2.4466466249537890 0.7239694217911232

Nb 2.3324543384248217 0.7120411267659958 1.4373978047937395
Nb 2.2978776413713469 0.0090224485648574 -1.1081138568657887

Nb -4.0497668111772036 0.6827393098722077 -3.6809706940533347

Nb -0.4423826270834101 2.5175991649274381 4.8170562467932783

Nb 0.7907876823497062 2.5507704565699210 -4.6593275048492329

Nb 0.5186954315347223 -2.8585872688453842 4.6101982155939583

Nb -0.3648754405867589 -2.8410035426070244 -4.7014430695549727

Nb 2.7885792314442246 4.6684229316256527 0.2933073226729649
Nb -3.0289819569625172 4.4553788262891203 -0.2048009134952362

402
Nb 2.5564640735075828 -4.7169857236735471 -0.7085378933971620

Nb -2.7630158412306698 -4.5596380299239172 0.6936086538121755

Nb 4.6869851417382264 0.1189169073768737 2.6432339190611853

Nb 4.6432283850234066 -0.2118478620968573 -2.7028447990489055

Nb -4.5768403705332759 0.0635728524129931 3.0126137063266847
Nb -0.4519897743011241 5.0389811901195252 -0.0394585137164723

Nb -0.0165537484858542 -4.9446451544381604 -0.0089926051481826

Nb 4.8980106098418448 -0.0312160885511299 0.0072710095280939

Nb 0.1390475567132101 -0.3064552484558718 -5.0125012658013715

Nb -0.1200183983320893 -0.1051170853593446 4.9506749637592264

Nb 1.5007572243781018 -3.8175217522874800 1.9522433440994627

Nb -1.0452308852269685 -3.8743207308886154 3.0746002332484577
Nb 1.1285101099686476 -3.9876435295288535 -2.8406766902150236

Nb -1.5019372692791630 -3.8512061875608028 -2.0432152834479722

Nb 3.7437388855561240 -2.5109526714747559 -1.7284632363110475

Nb 3.5393920909614613 -2.0732988615585675 1.0199863295456308

Nb -3.4786305168258829 -2.1797878177303982 -0.9626905299371147

Nb -3.8148935092093459 -2.6274228233218677 2.0758023504216712

Nb 1.8335084766611676 3.8146365896173378 -2.3410062342001505
Nb 1.3192576005483472 3.5214308378882486 2.8050790632695857

Nb -0.8108587848884545 3.8938795512687370 -2.3454363863940233

Nb -1.3155710562535028 3.7847230964824274 2.2892656865147138

Nb -1.8327431444632774 1.5770109778099612 -4.2698344932610661

Nb 2.7481955489124696 1.2709526310520325 -3.7865373951660497

Nb -2.5288948845219354 -1.3432353310943983 -4.1181270427447698

Nb 1.9953702449866570 -1.4236088647610583 -3.5100898282257327
Nb -2.8244326971196294 0.0235369530844705 1.0719210881380909

403
Nb -2.0150594246037454 -1.3758164456909074 3.6698851958796834

Nb 2.9770562900144304 -1.4156677650172960 3.6539666799893893

Nb 2.1107195545512223 1.2152485182756545 3.9334198682285444

Nb -2.7619360232822339 1.3063448259090822 3.9627585592866486

Nb 3.6207800908450123 2.2261969836414210 -1.2339924195575083
Nb 3.8563963024461985 2.8783649431342746 1.4361688041564415

Pt6 Nb49 configuration: ∆E tot = 8.31 eV

Pt -2.3226547672628475 -1.4254216301193359 0.1170747860782643

Pt 0.2240383260092862 0.2501253445673104 -3.2935727784858626

Pt 0.1332959404612865 0.9290519723475703 -0.0604522925261835

Pt 0.3009791397222195 0.6642063388196924 3.2308768692284193
Pt -1.9892718153928910 0.7540660031682167 -1.7879701845058760

Pt -1.9473452044240256 0.9756490176448116 1.7258982002752656

Nb -4.4892454860613187 -1.4736802086126168 1.7787115417345514

Nb 2.2888023616040432 0.5318548090393120 -1.6962783013025957

Nb 0.1270718886415607 -3.6397659928149868 3.2999128876008212

Nb -2.2890936374095987 -1.7807510370166351 -3.0061489808292805

Nb 2.3273407891115716 0.7366259799008357 1.5618766481170194
Nb -0.0616726809437314 0.1428051198672254 -6.1326712497273448

Nb -4.5276049197562536 -1.6835404290929161 -1.4723636454992919

Nb 0.0800730420365621 -1.3514404617837794 4.8876818135511906

Nb -2.2165197432594907 -1.3829656794736511 3.2600630965440813

Nb -2.3227391230781760 2.7655463307416621 -3.4522393796988653

Nb -4.1945183737586742 2.6970638322240830 -1.6743523905024795

Nb -1.9683867552633552 3.0192824809558281 -0.1691788584534227
Nb -0.0285339543737395 -1.9576895735540965 -4.6779411489931864

404
Nb 4.6423552994722455 0.4374906545082842 -3.1559994165117984

Nb 2.3256624106555361 -1.8381382929966952 -3.2139262706875664

Nb -0.0419059916970075 -1.6475717365171723 -1.4287714304201629

Nb 4.6518129658709420 0.5702717988554560 -0.0913400127888955

Nb 2.3142662861638512 -1.6237472528278722 0.0756631189156551
Nb -0.0065998789460298 -1.4537420211512564 1.6267577200696750

Nb -4.4664299767394606 0.4857585621523569 -2.9512985439530506

Nb 2.4005153194861495 -1.4236507919055170 3.3661753537370611

Nb -0.0970038715660433 2.4652078079815483 -4.9033094143053608

Nb -4.3997047973521646 0.8615101030925263 2.9651607146117969

Nb 2.2095968283401448 2.5571322756392632 -3.4421794717828837

Nb 0.0423156639617490 2.8977630368078509 -1.9815307635795496
Nb -2.0911601615961639 0.9570261112868630 4.6415071522373692

Nb 2.3453912384239133 2.8684571008557005 -0.2084667659306075

Nb 0.0861320874435398 3.1240754026064828 1.5987815394443401

Nb 0.0813458108787113 0.9161262735515983 6.0671076925029261

Nb -2.2044705262513147 -3.8163443402738229 -1.2569221830773936

Nb 4.5006119187530826 -1.6056717570235817 -1.7002825102064794

Nb 4.7130403803784251 0.8165088886194289 2.9674467446123254
Nb -2.1691581786304792 -3.6236466105659262 1.7787705547611878

Nb 4.5398462406789815 -1.3890977920873473 1.7824617468945791

Nb 2.3615539892110133 0.9248895108758521 4.8176914936901341

Nb -2.2016311494229277 0.3642137615186934 -4.6740678929638131

Nb 4.4674801369262882 2.6205560676595128 -1.7666339349464426

Nb -4.1547610488474120 2.8925455100704736 1.4141226848383042

Nb -4.2512268044917727 -3.5887430079838158 0.2769522838167461
Nb -2.2401770851602705 3.1834487278011072 3.1292038709523600

405
Nb -4.1827149081542689 0.6199263855810317 0.0085652134544886

Nb 0.0162036425790199 3.0654972646898524 4.5540314771882553

Nb 2.1780642539573463 -3.8459072645764842 -1.5292727097735770

Nb 0.0587735039632231 -4.0270826705208647 -2.8163760680031489

Nb 2.2882745771137833 2.9653249190212851 3.0398682918728990
Nb 2.2167677471850129 -3.6267333658829926 1.9521731738209867

Nb 0.1915880301884081 -3.9763126446198496 0.2497810448155504

Nb 4.5048250315496121 2.8116758007722749 1.3176238426527460

Nb 2.2465059890719110 0.3099613681772318 -4.9483949585638785

Pt6 Nb49 configuration: ∆E tot = 9.79 eV

Pt 0.0000000000000003 4.7255530443276612 0.0000000000000004
Pt 0.0000000000000003 -4.7255530443276630 0.0000000000000004

Pt -4.7255530443276648 -0.0000000000000009 0.0000000000000004

Pt 4.7255530443276594 -0.0000000000000009 0.0000000000000004

Pt 0.0000000000000003 -0.0000000000000009 -4.7255530443276639

Pt 0.0000000000000003 -0.0000000000000009 4.7255530443276603

Nb 0.0000000000000003 -0.0000000000000009 0.0000000000000004

Nb 0.0000000000000003 1.5108975895275427 2.3717229676702760
Nb 0.0000000000000003 1.5108975895275427 -2.3717229676702702

Nb 0.0000000000000003 -1.5108975895273906 2.3717229676702760

Nb 0.0000000000000003 -1.5108975895273906 -2.3717229676702702

Nb 1.5108975895275438 2.3717229676702769 0.0000000000000004

Nb -1.5108975895273919 2.3717229676702769 0.0000000000000004

Nb 1.5108975895275438 -2.3717229676702742 0.0000000000000004

Nb -1.5108975895273919 -2.3717229676702742 0.0000000000000004
Nb 2.3717229676702760 -0.0000000000000009 1.5108975895275438

406
Nb 2.3717229676702760 -0.0000000000000009 -1.5108975895273919

Nb -2.3717229676702702 -0.0000000000000009 1.5108975895275438

Nb -2.3717229676702702 -0.0000000000000009 -1.5108975895273919

Nb -4.0350866201892703 -0.0000000000000009 -3.6343889562143770

Nb 0.0000000000000003 3.6343889562143836 4.0350866201891096
Nb 0.0000000000000003 3.6343889562143836 -4.0350866201892694

Nb 0.0000000000000003 -3.6343889562143761 4.0350866201891096

Nb 0.0000000000000003 -3.6343889562143761 -4.0350866201892694

Nb 3.6343889562143827 4.0350866201891105 0.0000000000000004

Nb -3.6343889562143770 4.0350866201891105 0.0000000000000004

Nb 3.6343889562143827 -4.0350866201892686 0.0000000000000004

Nb -3.6343889562143770 -4.0350866201892686 0.0000000000000004
Nb 4.0350866201891087 -0.0000000000000009 3.6343889562143827

Nb 4.0350866201891087 -0.0000000000000009 -3.6343889562143770

Nb -4.0350866201892703 -0.0000000000000009 3.6343889562143827

Nb 1.5929953769048519 -4.0286995098808376 2.1143405788871110

Nb -1.5929953769048539 -4.0286995098808376 2.1143405788871110

Nb 1.5929953769048519 -4.0286995098808376 -2.1143405788871101

Nb -1.5929953769048539 -4.0286995098808376 -2.1143405788871101
Nb 4.0286995098808394 -2.1143405788871141 -1.5929953769048539

Nb 4.0286995098808394 -2.1143405788871141 1.5929953769048522

Nb -4.0286995098808394 -2.1143405788871092 -1.5929953769048539

Nb -4.0286995098808394 -2.1143405788871092 1.5929953769048522

Nb 1.5929953769048519 4.0286995098808411 -2.1143405788871101

Nb 1.5929953769048519 4.0286995098808411 2.1143405788871110

Nb -1.5929953769048539 4.0286995098808411 -2.1143405788871101
Nb -1.5929953769048539 4.0286995098808411 2.1143405788871110

407
Nb -2.1143405788871101 1.5929953769048508 -4.0286995098808385

Nb 2.1143405788871110 1.5929953769048508 -4.0286995098808385

Nb -2.1143405788871101 -1.5929953769048526 -4.0286995098808385

Nb 2.1143405788871110 -1.5929953769048526 -4.0286995098808385

Nb -4.0286995098808394 2.1143405788871119 1.5929953769048522
Nb -4.0286995098808394 2.1143405788871119 -1.5929953769048539

Nb -2.1143405788871101 -1.5929953769048526 4.0286995098808402

Nb 2.1143405788871110 -1.5929953769048526 4.0286995098808402

Nb 2.1143405788871110 1.5929953769048508 4.0286995098808402

Nb -2.1143405788871101 1.5929953769048508 4.0286995098808402

Nb 4.0286995098808394 2.1143405788871119 -1.5929953769048539

Nb 4.0286995098808394 2.1143405788871119 1.5929953769048522

Pt6 Nb49 configuration: ∆E tot = 10.17 eV

Pt -1.5864026710478907 -0.5428508700586235 -2.6831110486608476

Pt 0.9648198470046079 -1.7904530401665235 1.2563384595270313

Pt -0.0490986367599324 1.6036839056954988 -1.9259575341820367

Pt 0.3316103028772990 1.4359364796648730 1.0648032001603114

Pt -1.4790031605368612 -0.2711034088181671 2.4939071220926787
Pt -1.5584220227545296 -1.5403132407765343 0.0227078878673457

Nb -2.4590834607992806 -2.3933614540413894 -4.6262600703200736

Nb 1.8865566448268352 -3.8745386826685491 -0.7350150751260136

Nb -0.5107366541709399 -4.0586203061254071 -0.3829944511723160

Nb -2.8031350270926665 1.9844446157977071 -3.0128226465921899

Nb -0.5066809987177721 1.8722996085858290 -4.6562669024028107

Nb -3.0364122391094330 0.3562078213592249 -4.9813683378263836
Nb -4.1163077906183947 0.5543632957152712 1.5988145844419999

408
Nb 2.8860156868988946 0.4653807650896960 1.1917938423243206

Nb 1.4773059611592112 -4.3247076135491946 2.0109383589327754

Nb -4.3230672777545402 -0.7263027313963640 -3.2931864609163228

Nb -1.9133115280524762 -2.4324823455162705 4.6255218207860747

Nb -3.5934890622357742 -2.0549293129703936 2.0674177203341810
Nb 5.4279882605669165 0.3470502108459970 -0.3578489053612715

Nb 2.4661933663136542 3.4499009804243128 0.7890590438288627

Nb 3.6835857014845867 -0.5343005554893502 -2.9123960136463309

Nb -2.0841959953103597 1.0652133651577125 -0.2395307142660221

Nb -4.5072287306730443 2.9826981883189663 0.6415899723112433

Nb -2.6858604847244778 -3.0778749950816535 -2.1633138563717931

Nb 0.3391612159426625 4.0208222110850498 2.3313375078836587
Nb -0.6070626514617159 -1.0918726277991848 -5.3932675573922149

Nb 5.4237196814968716 -0.9519460612786511 1.7998144182927376

Nb 2.5743778191855360 1.2883769923653177 -1.3234701330755696

Nb 4.5779636309402232 2.7339974490836787 -0.5250591316336717

Nb -0.5078242150913692 3.9760439853224221 -3.2668917606131287

Nb 4.4809091688245859 0.5877940344923885 3.7315521925737003

Nb 3.7465290352104872 -4.0703172365026248 1.3133943580117466
Nb -4.1127526649891433 -1.1608413861568552 -0.7045785988740381

Nb -1.0701698280519989 -0.0869741077924312 5.1699218895879673

Nb -3.0626928311217636 1.6793750968398606 3.8810416738495985

Nb 2.7805782064906741 -2.6916751967136947 -3.0210758242302904

Nb -4.8524982280367688 1.5103334000299629 -1.2418659367776712

Nb 1.2562387133626136 -0.3261394303756033 -3.8659650947909863

Nb 5.2238216863034497 2.0037854983643388 1.9434166287680461
Nb -3.1546766352934830 -3.9059581235771428 0.0841717457033946

409
Nb 3.2354473830513650 -1.9885542562415151 2.7989839969535941

Nb -1.2527052272828754 -3.2366303633445264 2.1064095972714667

Nb 0.5863744780637286 -2.3126513238138524 4.1013144529599046

Nb 1.7330027305823048 4.0708811719988161 -1.9846668535161318

Nb -0.3447995450346537 3.7653179023844614 -0.2813265598368098
Nb -2.9481980604452613 3.7359682767645448 -1.2246072445398770

Nb 1.3693396060918324 -0.0004120430588212 3.4806560519937690

Nb -2.1234043896872690 3.0710440609999980 1.6562670770404200

Nb 1.8787525599580701 2.4715628362159792 -3.8666885490249236

Nb -0.2959164640567302 2.0742245884578243 3.8082897700875495

Nb 0.0231130391832612 -2.8474727512685258 -3.1360786703799817

Nb 3.5256173874730372 -1.7389667505664141 -0.3529182288950046
Nb 0.8431365929101835 -0.9816505876037614 -1.2313963997319632

Nb 2.5521086556356964 2.4566079841296227 3.1118697658571937

Nb -3.7291308809271833 -0.5494139224373314 4.3085954207151085

Pt13 Nb42 configuration: ∆E tot = 0.00 eV

Pt -5.0637608352086030 0.8442757144275221 -2.7544904162695754

Pt 0.2696592787195247 2.7199081748019411 4.3683772083349917
Pt -0.3958067060830128 2.6793638518902556 -4.8546224860720733

Pt 0.0073589454678515 -2.7372339893894404 4.6207533491444091

Pt 1.0917320290549331 -2.5862329163990720 -4.8614619177018588

Pt 2.6019095996585495 4.7255343701458203 -0.0144559276681232

Pt -2.8284177703037923 4.5761138328036823 0.1126979759466738

Pt 2.5714570276747599 -4.9170498048521436 -0.1200117627886922

Pt -2.7855033403714682 -5.0110761484092761 0.9383345601313525
Pt 4.5324907271969668 -0.3635214295939475 2.9766668624058501

410
Pt 4.6983978366526973 0.4032926667079951 -2.3119905724605725

Pt -4.2228680940739078 0.3892002287290355 3.0530143868333828

Pt -4.3836820683954638 -1.8488945641194361 -0.2275290046615194

Nb -0.3551233117543173 -0.3678917227751723 -0.3982092645439505

Nb 0.3913784555786552 1.2317195853983920 1.7151571173140783
Nb -0.1829265398918292 1.1706246965359048 -2.6641454914440881

Nb -0.4542035332398537 -1.9412066106327499 1.9686475702821442

Nb -0.1846630190592631 -1.7719719008046040 -2.7488911698963530

Nb 0.9359729612350041 2.6859244729173612 -0.5246514936374492

Nb -1.9285003116232158 2.0140426356944463 -0.3466082995675348

Nb 1.2733271709660905 -2.6182717558616586 -0.3580823090603641

Nb -1.8446409764667120 -2.8415224198268332 -0.4548481803764585
Nb 2.2338645250896922 -0.8083065791225463 1.5858773682477365

Nb 2.2515177573499932 0.3468833579879034 -0.8505505426653454

Nb -2.5599693569680877 -0.2531934355589155 1.1956376950056298

Nb -2.7752165087329725 -0.4026447395330050 -1.9226302256493850

Nb -0.1216866777872294 5.0335125346514760 -0.2830476183406600

Nb -0.1751224186246727 -4.8318149280380025 0.5633690082129593

Nb -4.7748168365055275 0.9204128307244703 0.0065549263447340
Nb 4.8175953615259264 0.0221626386267504 0.3416806267844382

Nb 0.6881980579402616 0.1812769489808917 -5.0621771317369300

Nb 0.1421358937968566 -0.0841709921016784 4.1386456834340217

Nb 1.5522252935238274 -3.7876796085064965 2.4159614759840058

Nb -1.5797171499768492 -4.2011701819629108 3.1178749196506037

Nb 2.2199603027727992 -3.8085710469299725 -2.6200401540317269

Nb -0.1180286222402796 -4.5036827971615905 -2.0144581103820935
Nb 3.9338295513558510 -2.0686302239072942 -1.0289536019958800

411
Nb 3.8294483664797045 -3.0391988387731486 1.3653106462969193

Nb -3.3632852356925351 -2.6492507875286888 2.2641106879921016

Nb 1.0363545877482274 3.9660320533443443 -3.0174731597571305

Nb 1.5645137709204651 3.7714411765417681 2.2484443525016080

Nb -1.4354235595499940 3.8948985923877730 -2.3137305300560906
Nb -1.0142593188523730 3.7127500443842170 1.9318300717318382

Nb -2.7404958514323905 1.8383290956098906 -3.5585440359300260

Nb 2.4422065535795161 1.8364614838095976 -3.3840779482414258

Nb -1.7204647174063776 -0.3262675388862303 -4.5911027421476964

Nb 2.4537301049523794 -1.0170391454058203 -3.2010566775638547

Nb -4.0193839776629741 2.7141565164799433 1.6508382668074690

Nb -4.3483650016811932 2.9624796808073288 -1.3948991391364129
Nb -2.3667550629023903 -1.3667143318141255 4.2131253960927930

Nb 2.4944885476961449 -1.8977573877258491 3.9609175035551116

Nb 2.4285514105326831 1.1579981375264454 3.7513623900402284

Nb -1.9262408103098121 1.5469993652826846 3.2622883480551512

Nb 3.8263902481251879 2.6579735633675883 -1.2266062299475633

Nb 3.3806332472025478 2.0471975750551765 1.3418677466006275

Pt13 Nb42 configuration: ∆E tot = 1.67 eV

Pt -4.3219297196603828 0.7417869697689324 -3.2879312607366846

Pt -0.0957620397466396 2.7209939296379644 4.5554169540651088

Pt 0.4278122490596737 2.4002650305915778 -4.7562166521863531

Pt 0.3171419335233228 -2.6858224011646343 4.8144751711934646

Pt -0.0760809239958685 -2.9093471335819374 -4.6904892143905244

Pt 2.7860103092553521 4.4360238604611855 -0.0183478206379850
Pt -2.7689091055722850 4.4259690125008664 0.2387522226837713

412
Pt 3.5964048217322535 -4.2703124271546411 0.0537805761102699

Pt -3.1014518814724648 -4.6681482358056225 1.3451374218760743

Pt 4.6096562966512842 0.2942171847279495 2.7644458778621721

Pt 4.9354272278928084 0.0409176217422468 -2.8252131732042476

Pt -4.9506346683409754 0.1273771229083648 2.9164979831831057
Pt -4.1038699054598675 -2.5754250035324078 -0.7688971857743643

Nb -0.1978788311258139 -0.3551112804457036 -0.0987057350950810

Nb -0.1753362057632809 0.9857046951139038 2.4157824976430784

Nb 0.0612879911171867 1.0807822351677685 -2.5185088154613173

Nb -0.2404022925198543 -1.8186856463830652 2.2910215700795358

Nb 0.1501074505159526 -1.7360842414872395 -2.3511680797986263

Nb 0.9621108551999019 2.3021845672229317 0.1524057963017209
Nb -1.7471738212268744 2.1387683201343832 -0.3670042709062930

Nb 1.3582034240736280 -2.8781702808345302 -0.0352428456837406

Nb -1.5951449016945329 -2.9506549118880714 0.0359478770946989

Nb 2.2596190161327518 -0.4486070586211413 1.2327472800538710

Nb 2.3452402796087517 0.3524439575208844 -1.3851989943283063

Nb -2.6406555502847562 0.1016737206444502 1.2444406006341917

Nb -2.6626785568713922 -0.4584158649204882 -1.5573305448180581
Nb -0.0256368871444518 4.9510632944319983 0.1551770318740888

Nb -0.2710428700377260 -4.5017084880866403 -1.8708664359071041

Nb -5.1497355082697078 -0.3062290042998855 0.3075020514467464

Nb 4.8529785384086104 -0.0675744509098935 -0.1086076282210659

Nb 0.4375130800549308 -0.3441634150975888 -5.1367490090102450

Nb -0.2946754724095594 -0.0434375952567111 4.9034468955029116

Nb 2.1709485200871432 -3.2442166998537574 2.6208041420773180
Nb -1.6143380214957059 -3.6787779575661461 3.1926405201444790

413
Nb 1.8591606349864271 -3.7987434749485005 -2.9206884570206744

Nb -2.2047925585995722 -3.1135339050899291 -2.8617724459297453

Nb 3.6080370287915917 -2.0893893978355380 -1.4562935384680462

Nb 4.2163025879280900 -2.2092829149906721 1.5676969539242545

Nb -3.7279778516341162 -2.2066588720445197 2.0185989510001145
Nb 1.9324047224933629 3.3924128871308397 -2.3058855148080402

Nb 1.2791959492962437 3.8834506010759013 2.3916524351146218

Nb -0.6878516384043617 3.9755337882420689 -2.0051038394391871

Nb -1.3922817700703203 3.4296229918572805 2.2441221512777783

Nb -2.0784380484510701 2.0133317850947434 -3.4934996655423167

Nb 2.7967666696229010 1.4109966421321842 -3.9149024588778478

Nb -1.9988868262580948 -0.6606865731644606 -4.0889105285755249
Nb 2.4735618899470984 -1.2072020506866239 -3.9115517709115299

Nb -4.2273542654727772 2.4863947032601401 1.6576003501201479

Nb -4.3642804010422731 1.8461692493822368 -0.7867931315181669

Nb -2.3975207886415228 -1.0834504628212955 4.0626815082621590

Nb 2.2844159248173419 -0.9870050890147214 3.8639444475511193

Nb 2.2490938612524083 1.6595776811392624 3.3535007038050959

Nb -2.7363598094557711 1.5841232157878777 3.7304278900600703
Nb 4.2532396248390034 2.3928997100092828 -1.6004521540533863

Nb 3.6264402338339954 2.1221600597991368 0.9916833103624749

Pt13 Nb42 configuration: ∆E tot = 2.01 eV

Pt -2.2878072360331245 -1.6890994996456217 -5.1125922010351417

Pt 0.3307370973943546 -3.4274038448963040 -1.0431557264725630

Pt -0.0055534144722105 3.1738995566955595 -5.5565833911795721
Pt 1.7006402901814297 0.2799885431277004 5.0074642299670984

414
Pt 3.3411001252222734 0.0957684268174715 -2.5801546263675594

Pt -2.5574763354877987 1.5447680367729217 3.6580386278059929

Pt -4.5514816220067553 0.0790477921491400 -0.8006427213790064

Pt 5.4421410022555152 0.8867938576995157 1.7376537795384190

Pt -4.2310983599358645 -4.7136961609480181 1.1425039538667074
Pt -1.1641346971666524 -4.2886524645620625 3.5350444725869461

Pt -0.4138404002817924 3.6412616655250929 -0.6009745892490488

Pt 2.8647977093219952 3.6030925432651770 -4.6499215366899023

Pt -3.2853487864182895 -1.1417880912319591 4.0387091806887270

Nb 3.6849861252694205 2.6877830981273689 -2.3361344837873905

Nb -2.1437956628724706 -4.3616344542915471 -0.4360925284645137

Nb -2.8403149426235288 -2.8324765744589655 2.1574673137475595
Nb -1.0358566393359256 -0.0068368417397978 -3.0172409185503999

Nb -3.6147956887558124 1.7317324023178597 -2.6808359560250072

Nb -1.2219659526722426 0.7784319371608460 -5.5014706705182448

Nb -3.6506605901953364 0.0840435753960661 1.6207047637294063

Nb 1.7737308404077863 -0.5853553384440603 2.4154647595088075

Nb 1.0763071435067857 1.4497236297872715 -1.7465874882240517

Nb 3.2106156462755040 0.4633410104161725 0.1965680180083351
Nb -0.0077474603128496 -3.0203203693133105 1.5765336220056549

Nb -3.5821748055481564 -1.1139660952696888 -2.9252231323290379

Nb -1.7568731326502915 -2.6288449910850176 5.3724146264121657

Nb 5.5139287035792295 0.8075919043007217 -1.1820937376502774

Nb 2.4688236934126353 3.6208027873496320 -0.0292430111568368

Nb -1.8483653604896590 1.0755002156439983 -0.5715626327383492

Nb -4.3653589208462700 2.4849792360390524 0.4155934051896534
Nb -3.5362570825522042 -3.6536459940022183 -2.5373491368909531

415
Nb 0.7690377269063662 4.1285225578245246 1.9154367331834687

Nb 0.4729799465793478 -0.9958664616529235 -5.3426375229535950

Nb 4.5186383377145534 -1.6042416965939597 1.8516278582762733

Nb 5.1212514362748793 2.8341339735219577 -0.0360062408773987

Nb -1.1426338246215340 2.8079634183536371 -3.2822242536871618
Nb 0.6204666579098488 1.6013101974262296 0.9252760295566416

Nb -1.0764077855610525 -0.4041575024726428 2.1993703261116475

Nb 4.0616504838600820 0.3722039792459358 3.8935461362437418

Nb 2.5527275554690521 -3.5109376231551721 2.5407243926340892

Nb -4.5949372119606204 -2.6065457098437861 -0.3647382349734019

Nb -0.9202095732719118 -0.0904447388028872 5.1053894547424790

Nb -2.1669186956593691 -1.7662343076063822 -0.4904251086992846
Nb 1.3726964895790601 -1.5763438149194118 -3.0490485947468646

Nb 1.4612759434504901 1.3340417108654063 -4.3254594187066999

Nb 3.5769228482238917 -2.0956607237393285 4.2903340498931470

Nb 0.5443695420320767 -2.1109509851582118 4.2564390394801848

Nb 1.1693665522639705 3.9705198444257377 -2.7156865313856149

Nb -3.0030700913764221 3.7489029901229856 -1.1996436877105769

Nb -1.9590584900644006 2.8520856784576836 1.5683855833034666
Nb 0.3065878001617977 2.0490161627181180 3.5742387800858775

Nb -1.1171566722126232 -2.8906526169504900 -3.1210311140188911

Nb 2.6565584566031122 -2.5126926273123615 0.1714101679559829

Nb 0.4893255948878918 -0.8545306708786456 -0.3243584976346486

Nb 2.9796356866418181 2.2957294674209834 2.3927783895795041

Pt13 Nb42 configuration: ∆E tot = 2.90 eV

Pt -0.9831285929491294 3.2614111249643232 4.7466635479969765

416
Pt -0.9831285929491294 -3.2614111249641722 4.7466635479969765

Pt 2.9339600282111169 4.6514759929245146 -0.3561351321931281

Pt 2.9339600282111169 -4.6514759929246763 -0.3561351321931281

Pt 5.6187306562630130 -0.0000000000000026 1.6110700957884379

Pt 4.5302088135202201 -0.0000000000000026 -0.8847111177833935
Pt -1.3851809364230698 -0.0000000000000026 4.6527398852711341

Pt 0.4614931230464822 -4.0311752944963244 2.4815072711310511

Pt 4.4229253956798278 -2.3112298349635720 0.7073099795586901

Pt 0.4614931230464822 4.0311752944963191 2.4815072711310511

Pt 2.7096711504380426 -2.1277903774040849 3.1080266134236898

Pt 2.7096711504380426 2.1277903774039233 3.1080266134236898

Pt 4.4229253956798278 2.3112298349635667 0.7073099795586901
Nb 0.3464580063934921 -0.0000000000000026 0.7963669088948258

Nb 0.2247446940341450 1.5032905287939231 3.2241638129133183

Nb 0.1622231124778459 2.0957476616014334 -1.7323636438057943

Nb 0.2247446940341450 -1.5032905287937721 3.2241638129133183

Nb 0.1622231124778459 -2.0957476616012825 -1.7323636438057943

Nb 1.7853734684331517 2.5291594534761090 0.6623267810647380

Nb -1.3092856468995402 2.4300613404317035 0.7549326551450721
Nb 1.7853734684331517 -2.5291594534759581 0.6623267810647380

Nb -1.3092856468995402 -2.4300613404317088 0.7549326551450721

Nb 3.1083308922609536 -0.0000000000000026 1.6246549588417909

Nb 1.8800645984629076 -0.0000000000000026 -1.5031717639289011

Nb -2.1472799865756125 -0.0000000000000026 1.9048533442876336

Nb -1.5158295256539427 -0.0000000000000026 -1.3359070527057040

Nb -4.0187249461454115 -0.0000000000000026 -2.9092300203942725
Nb -0.0228472080181355 3.2064914229171366 -4.3439398771526330

417
Nb -0.0228472080181355 -3.2064914229171420 -4.3439398771526330

Nb -2.7576562929568391 4.8447910683741329 0.0735805182995110

Nb -2.7576562929568391 -4.8447910683742945 0.0735805182995110

Nb 4.1365891512098774 -0.0000000000000026 -3.5019510069246107

Nb -4.7367364701270800 -0.0000000000000026 2.4546477775303717
Nb 0.1943506352210697 4.8161305428948369 -0.0267740818978379

Nb 0.1943506352210697 -4.8161305428948422 -0.0267740818978379

Nb -3.9771909850989156 -0.0000000000000026 -0.1469937130155868

Nb 0.0404433161844359 -0.0000000000000026 -4.0150727502635819

Nb -2.1321384798622498 -4.4546459447260700 2.4541805646426131

Nb 1.5416728366208181 -4.2751256804552211 -2.5409239015599181

Nb -1.4544934780998071 -4.2201454693716753 -2.1119107272455264
Nb 3.4163828534514113 -2.3118356727883933 -1.7353197392390851

Nb -3.2304209992025799 -2.3415340437051695 -1.4934630250908865

Nb -4.1569670971100079 -2.5480163784918544 1.1481633648394911

Nb 1.5416728366208181 4.2751256804552158 -2.5409239015599181

Nb -1.4544934780998071 4.2201454693716700 -2.1119107272455264

Nb -2.1321384798622498 4.4546459447260647 2.4541805646426131

Nb -2.0253320281143212 1.5811560120679475 -3.8034830597915001
Nb 2.1469694723839003 1.6002650097761917 -3.9935669119947446

Nb -2.0253320281143212 -1.5811560120679529 -3.8034830597915001

Nb 2.1469694723839003 -1.6002650097761970 -3.9935669119947446

Nb -4.1569670971100079 2.5480163784918490 1.1481633648394911

Nb -3.2304209992025799 2.3415340437051642 -1.4934630250908865

Nb -2.8674382389206281 -2.0939537193874882 3.4033772181568227

Nb -2.8674382389206281 2.0939537193874829 3.4033772181568227
Nb 3.4163828534514113 2.3118356727883880 -1.7353197392390851

418
 Pt13 Nb42 configuration: ∆E tot = 5.16 eV
Pt 0.1738099448760574 0.1443899667489630 -0.0474618252205699

Pt -2.5052762492330465 3.1467422482548271 1.3680289057479587

Pt 2.9622007115268949 -1.7372041270470338 1.8277989342971170
Pt 2.9571996176862618 -0.6704580483958269 -3.0359017886864916

Pt -1.5598983920386023 2.5121070632326363 -3.0238086829832338

Pt -2.3752242795563467 0.1832378012107421 -1.9301414159054002

Pt 2.0560004230713580 3.5616627450448473 0.1137773172228651

Pt 1.3878747980041388 -3.3519145714453460 3.6522323670396855

Pt 0.3784473692281575 -2.5887466091340459 -3.1914224831706162

Pt -0.3087861154921944 4.8190305016752033 1.0551815483706533
Pt -2.5052925443590772 -0.6958416381629435 3.3633138282293760

Pt 5.2250853000752571 -2.1519650280536782 -2.3005341466035145

Pt -1.7408226709264885 -4.7590479610040690 0.1459217570271518

Nb -0.4963843479502236 1.3938435321484117 2.6083994171962774

Nb -0.4384034233503348 2.6215217961249691 -0.3761579785904457

Nb -0.0601001017471082 -1.5903838136396022 2.0455888555990338

Nb 0.1584969588320769 0.2561457719532880 -2.8045893702826317
Nb -0.5104945442842256 2.7306355051570277 5.2814879956992504

Nb 1.7517481378710946 -1.9107884310349992 -0.8148779143854239

Nb -1.1585405879949751 -2.1858416321837781 -0.7213139267079396

Nb -2.4806690699511740 0.2676442450034153 0.7939597897384074

Nb -0.1143989481868010 2.0893259839209035 -5.3952721105456467

Nb 0.7261904584380000 5.5083921536629274 -1.2660476493485828

Nb -1.6203685750807584 4.8490916624723068 -1.4689036435434883
Nb 2.8058686964425354 -5.0144819405863759 -0.8648094639782511

419
Nb -3.6415994663296494 -3.6593572535664380 -1.3033838704632967

Nb 4.3508407878461970 0.4048689713395133 2.4432160526658020

Nb 4.1865366404462421 -0.4820235877518799 -0.3727476340859437

Nb -4.8230247408314977 -0.3224299097760879 2.2835009664646986

Nb 2.9501773634617670 -3.3680061773540730 -2.8190022341174239
Nb 2.0266705979593005 1.0438536106880345 1.6577541304825429

Nb 0.4450563344141093 -0.6713042347865299 -5.1070268107949195

Nb -0.5378478616961478 0.1889022402828742 5.0293080064782165

Nb 1.1750818470144586 -3.8421099011041493 1.0482748901572410

Nb -0.9884827349570292 -4.4620515766626001 2.6755234643231045

Nb 0.4356944367702932 -4.6878427100340732 -1.4676434966122582

Nb -1.7692394191620313 -4.2824114209531361 -2.8059710183004012
Nb 4.2176779822936386 -3.0988564941949308 -0.0936167531490538

Nb -4.1616659911237246 -1.1798700726144322 -0.5139915460816451

Nb -2.8513499531073285 -2.6444392299099748 1.4499952012851725

Nb 1.0919378904883128 3.2492778990749853 -2.7291582594095769

Nb 1.1840837627704039 3.5964809960409694 2.9724520884982706

Nb -0.6582378543849762 4.7979711159418938 -3.8174192440165338

Nb -1.3102879401266254 4.2516856488050960 3.5602110772137490
Nb -1.9486636799277168 0.5542534998968476 -4.8264735733862656

Nb 2.1444686566645736 1.3660417265861067 -4.5026159588270067

Nb -2.2480954565126274 -1.9118098387429800 -3.4507833474080525

Nb -4.8909598652810171 1.6541360108332037 1.0333916698455836

Nb -3.4280876723318250 2.3703253971087745 -1.0076299997441578

Nb -1.2022816427981813 -2.7471691765774269 4.2578810629062209

Nb 1.6660306618979230 -0.6763621619505047 4.0416788018916314
Nb 1.9343101637841780 1.7742534783760300 4.4629838612337061

420
Nb -2.7977805227269790 1.9571264143106244 3.7065195249565317

Nb 2.4485492464706362 1.2775041687534265 -1.3372696469417815

Nb 4.2922258631148527 2.1222653920180674 0.5175942787203083

Pt13 Nb42 configuration: ∆E tot = 7.10 eV

Pt 2.4057056362952642 0.1741349144730013 -1.7547299966738688

Pt 2.5655672430046459 0.4673644770255553 1.6751285326962844

Pt 0.2628541763028497 0.3736269799528721 -6.3384184059352764

Pt -2.2896705507267563 -1.4154073555970537 0.1604152272962623

Pt -0.0659399700484355 0.6531512835668427 -2.8606274927794098

Pt -0.0320567282909278 0.7232960446765853 -0.0888382456665463

Pt 4.6102826598725644 0.2221173684257995 -3.3127349471772569
Pt -4.2871161430929190 0.3516343235623631 -3.4520853974745571

Pt -4.2919823616492065 0.7518316748003433 3.3494538148203410

Pt 0.3937350639963405 1.2530683374986187 5.9727970647007043

Pt 4.7638229831270253 0.3126302099237681 3.2946477415711612

Pt -2.5465317599537678 3.2249979341043091 -0.1534877771027633

Pt 0.1421274192968219 -3.8629635995555698 0.2832347593278045

Nb 4.6527626579129420 0.4615227801726271 -0.1041719044499511
Nb -4.6113324565424589 0.6904428500003807 0.1651715300946038

Nb -4.2749874004093043 -1.4825241222018231 1.8419975805821356

Nb 0.1862555173605901 -3.6505382855538353 3.3724319334080590

Nb -2.0746649013595566 -1.7311663514003324 -3.0179604956067387

Nb -4.2649130899589123 -1.5856034546136608 -1.5239637858669208

Nb 0.1540101149553667 -1.1593345926920189 4.7036569584893968

Nb -2.0720689050364904 -1.3744500699612838 3.3366510682819737
Nb -2.1878744550969906 2.8058966625661843 -3.4593597833835283

421
Nb -4.5094989446525373 2.4312999965728896 -1.7887545889380572

Nb 0.1569799461244749 1.0371650280798979 2.8729706269367106

Nb 0.1908524618270749 -1.5966205045062476 -4.4836335545908144

Nb 2.5046938046299636 -2.0890569745848064 -3.3494103847305987

Nb 0.1617509168820536 -1.6967340022628572 -1.4682590285964447
Nb 2.3250689861423361 -1.7889855570459328 0.0987363509712130

Nb 0.1312193254101405 -1.5012584354360281 1.6972605208361007

Nb 2.3761253423002509 -1.5612334585260750 3.4418576750144232

Nb 0.0816789370869436 2.6106614381248341 -4.7222423941453302

Nb 2.0179708329579262 2.7855156284493323 -3.0861081008434561

Nb -0.3174339579961324 3.1839592019094147 -1.7648452625774478

Nb -1.9455757386015362 1.1052666999971312 4.5872326127231320
Nb 1.9780689664170525 2.4750571490264810 -0.1020400736419967

Nb -0.2346606007981390 3.4723140021713852 1.3399880197261258

Nb -2.0978346314690435 -3.8140542852636226 -1.2546555676970808

Nb 4.3912683298012611 -1.9141050218644007 -1.6037167558015806

Nb -2.1238944201398362 -3.6953414948632282 1.7691668628514137

Nb 4.3871220965999784 -1.7469402317971112 1.6307829565067848

Nb 2.4460359174822037 1.1941538721458334 4.2783567714668225
Nb -1.9448688104153034 0.5084870061438502 -4.6996185161489921

Nb 4.2183986772748741 2.3755745864588511 -1.6607770810944043

Nb -4.4365104501802675 2.7681803826372948 1.6536088454383748

Nb -2.3927697378631216 0.8444789870999168 -1.5145420543147690

Nb -4.1332588763482390 -3.6451544090365782 0.2342257138700817

Nb -2.1611755448523575 3.2490366942074194 3.0350462378894818

Nb -2.1885123711620218 0.9773807019815313 1.5216693875447262
Nb 0.2366877195081635 3.3026722566406055 4.1755211239135024

422
Nb 2.2226700429444128 -3.9821156874710932 -1.5631147182293244

Nb 0.1922109466272107 -3.9823120145015873 -2.9537646217528768

Nb 2.3668981939575082 3.3155729639937594 2.5548219757172368

Nb 2.3065343937708724 -3.7748614490275822 1.9823400978421191

Nb 4.4654370602564741 2.4160748297624939 1.5200752019392283
Nb 2.1903364365186726 0.5321940916105494 -4.4673862572362042

Pt13 Nb42 configuration: ∆E tot = 9.03 eV

Pt -0.0500535620270061 -0.0049778633060900 0.0166138799861100

Pt -1.5872413519953044 2.2362188950107895 -0.1337297788359601

Pt 2.2748610079529801 0.4507133169020407 1.2482022729549798

Pt 2.1208475260027786 -0.1400420590668441 -1.5440645656685021
Pt -2.0606145072911710 0.0450322229262036 -1.7972798914724011

Pt -4.4523663590242855 0.0338183650894725 -3.0988796721498648

Pt 0.9440987036232209 3.4026804374269939 0.3792943296281941

Pt 0.3371847483708777 -2.7942139740112886 4.6591396013066824

Pt -0.0512979881138175 -3.1734907958880050 -4.5065698569395156

Pt -0.8506933768565108 5.2104346298038173 -0.5664858533098928

Pt -2.2201072982326640 0.1777922614204780 1.6537461939919054
Pt 3.7923321348339880 -2.3239477876396863 -1.7733699587287497

Pt 0.0783308308196616 -4.3302322262747923 0.0212427465388597

Nb -0.0738969215320530 1.6162741337040192 2.2596357677843102

Nb 0.2057204738065919 1.6089928655604933 -2.0992740484949919

Nb 0.1131962763038595 -1.1455444385356128 2.4453381983712936

Nb -0.0817751377812576 -1.8105060991383817 -2.1007477974258633

Nb -0.1590167856507906 2.6261342199686708 4.7432710081919787
Nb 1.8064991372671300 -2.1403332300091931 0.1826468532075772

423
Nb -1.6733601973604209 -2.1372788411563892 0.2051993690767238

Nb -4.2011801501724131 0.0091903798960379 -0.2247233075930570

Nb -0.0764622960057288 2.5797640081447319 -4.6257589310549090

Nb 3.3790622707910991 4.0962377867291426 0.9406003530010766

Nb -3.2295750506426613 4.4295562247642755 0.0576863563987982
Nb 3.0164345685112615 -4.5704745701927925 -0.4524771720314009

Nb -2.5310679476240772 -4.6356764901012362 -0.0178061710075498

Nb 4.6833831427129811 -0.4446402943129267 2.4574141589918792

Nb 4.3550332725445937 0.4343394942277902 -2.9238697691675686

Nb -4.7195846703219910 0.2527773823591772 2.6413069759402616

Nb 2.0824729621505966 -1.5150155509059418 -3.7836133408433730

Nb 4.5072935475996125 -0.1753864874453895 -0.2305078702815899
Nb -0.1345924246254905 -0.2602138934872010 -4.7087331964510941

Nb -0.1165769686283251 -0.0472921200941783 4.9552056091031300

Nb 1.4342150926668087 -3.7752459658280220 2.2552325541294209

Nb -1.4394732081446013 -3.3375402601398245 2.7025210143003129

Nb 1.5392874441671018 -4.0640922415411591 -2.2487135654421255

Nb -1.6433267603051032 -4.1525848217876851 -2.2873551841275859

Nb 4.1275155857646091 -2.7660551135898706 1.2173977601163675
Nb -3.4978197729603071 -2.4091582175557935 -1.7893757801499974

Nb -3.9416842200347082 -2.0379025026557640 1.5670643002412488

Nb 1.2832106438700992 3.9280863702789537 -2.1933637747592525

Nb 1.9137633843832214 3.3162328144891502 3.0286292957385248

Nb -1.6638229584660917 3.7763482946441784 -2.5061462594353783

Nb -1.4607598911032038 3.8035683437324925 2.0470862472407663

Nb -2.2624435266464538 1.5004500291041216 -4.1279374022668369
Nb 2.3940841416764753 1.4096052787121875 -3.8866496661782590

424
Nb -2.2096877621125257 -1.5595987120684249 -3.9255981052366882

Nb -4.0643825228669117 2.2691707444957534 1.4195323951203602

Nb -3.7510522990439288 2.3841231452566536 -1.6781467494934146

Nb -2.3199867668030798 -1.1108775422884394 3.9971982192859974

Nb 2.5943589605498594 -1.6934143953010206 3.4679522448035023
Nb 2.3330408872689978 0.9357624094858145 3.8660187432709376

Nb -2.4125793025694158 1.6762157133239417 3.9541351096702080

Nb 3.2523813334455989 2.2770456851049365 -0.9789677737154175

Nb 4.3678739078582947 2.0691710417596316 1.8208338838698368

Pt13 Nb42 configuration: ∆E tot = 13.59 eV

Pt 2.4108132065695336 0.7847285663240474 -1.6124049950202648
Pt 2.4557675038509834 0.9685308098013189 1.4496700148256478

Pt -0.0227474565021260 -0.0364802739255373 -6.2343367463148605

Pt -2.3116555102198739 -1.4546593029850674 0.1119208390256630

Pt 0.0671372595208674 0.0800504229230762 -2.6742546197919324

Pt 0.0943844332941030 0.3683817933001132 -0.0262879173446124

Pt 0.1287909474529038 0.4179983109873541 2.6397038364148728

Pt -0.0176320228889273 -2.2442899919866228 -1.2687620627612632
Pt 0.0147490049028868 -2.0592441443509735 1.5253980846419124

Pt 2.3397678358940701 3.3127923255219081 -0.2330985252930106

Pt 0.1246141448636473 0.7642510704562363 6.1892612934962647

Pt -2.2093053578602544 0.9587035584830056 -1.4952326753709231

Pt -2.1822039879624477 1.1315419342461146 1.4116419921464767

Nb -4.4883521259485324 -1.3646622820008820 1.6942922635951361

Nb 0.4637491253305729 -3.9493531295462425 3.2664376576093219
Nb -2.2484714888245159 -1.5874121686995328 -2.8391572116037564

425
Nb -4.5433936524713037 -1.5606065304936612 -1.4018282332610796

Nb 0.0551575979389349 -1.3839025803765883 4.5809063961139378

Nb -2.1594348726061079 -1.2296380049218134 3.0807568638784830

Nb -2.4434289994434075 2.9348265018644035 -3.2998555842300248

Nb -4.4612936360070936 2.7504219931370373 -1.7983488124885640
Nb -2.3682623016385471 3.3367684853054969 -0.1764892375758877

Nb -0.0526083531334030 -1.9536652661054636 -4.3591599439337410

Nb 4.6271797734027542 0.5505937646237379 -3.1183952210650374

Nb 2.1928057555199039 -1.7957404230281957 -2.9785634989029943

Nb 4.7431043924428122 0.6004996767848177 -0.0985637645881014

Nb 2.2298865324932442 -1.4560271497637165 0.0657234036513528

Nb -4.4103088595309377 0.6185754679840550 -3.1088124720847445
Nb 2.2526012726890108 -1.4174213053881777 3.1364722299005394

Nb 0.1835607939050214 2.3769124921080014 -4.3426073122621540

Nb -4.3112435053861251 0.9903060771314182 3.1292535459827833

Nb 2.5244457371275266 2.9656026054316378 -3.1541154035614425

Nb 0.0681776943093603 2.6026685215886083 -1.5997171882549084

Nb -1.7863331934948641 1.1207357070250330 4.3248839212813186

Nb 0.0910442672592546 2.7779190564910259 1.2556875056297996
Nb -2.1679035477901416 -3.8971153789691932 -1.2292522479044068

Nb 4.4557540639872055 -1.5939338949459942 -1.5393665885605203

Nb 4.7000625096877737 0.9427490589488617 2.9171665241381306

Nb -2.1377048192311130 -3.7144299309873254 1.7522455819455784

Nb 4.4784295616781078 -1.3955146835762553 1.6155442832029563

Nb 2.0198971860184902 1.0775367939140486 4.3366348867595184

Nb -1.8894961810030773 0.5663595770468238 -4.3883709477258828
Nb 4.6352323924568095 2.5861075450555511 -1.7751006121196384

426
Nb -4.4211444676470197 2.9637039926380013 1.5478511155634946

Nb -4.3191471984659646 -3.4621773493842944 0.2703681449802871

Nb -2.3846654703264059 3.3360972627132064 2.9494912412533325

Nb -4.5016654773841456 0.7442769059334290 0.0048700446789154

Nb 0.2868307738567403 2.9098484132742577 3.9922328668947871
Nb 2.2756924019115323 -3.9626516156240434 -1.2931421906988534

Nb 0.4468628043748361 -4.3323997093124147 -2.7636690349980824

Nb 2.5949067539252488 3.3369787805984843 2.6854112598870530

Nb 2.2987905165836984 -3.7582651097332480 1.7355097882757831

Nb -0.0249789944304928 -4.5623645548790561 0.2903226356663764

Nb 4.6841979113193499 2.7781106025609255 1.3323311038212948

Nb 1.9189873256296344 0.5173767067822547 -4.4830962775443277

Pt13 Nb42 configuration: ∆E tot = 15.79 eV

Pt 2.3930460305898213 0.2521751194159663 -1.5631808005377279

Pt 2.4015404441360673 0.4148435272697386 1.3708061530138038

Pt -1.9024133514510282 -1.7346908603569275 0.0215171296211534

Pt -0.1200483872626734 0.5656042511016355 -2.9425371497365456

Pt 0.0536426476901298 0.4909655169236053 0.0189660839236921
Pt 0.0119391553623725 0.8089216341367238 2.9207820834519596

Pt 0.4072524209797917 -1.7714725418650050 -1.5754818481763733

Pt 0.2766277409436875 -1.7906614785216237 1.7977662490075870

Pt -0.1173994567009739 3.9838571591155532 -2.2770172430525308

Pt 1.5908016988512643 2.8637153341832762 -0.2804883450634545

Pt -0.0868753191912809 4.2334128240555637 1.7466146442207389

Pt -2.3482545831733121 0.6142863614196445 -1.2748022082703103
Pt -2.3029365394086145 0.7837409679792577 1.3260860597659143

427
Nb -4.1647583596019579 -1.3486155653733642 1.6761463849168432

Nb 0.4612590469156446 -3.8827967802064185 3.3339986815340783

Nb -2.1489614604211447 -1.6736457663027591 -2.9043806425688965

Nb 0.0067457370391593 0.3509962747128421 -5.9613921468578557

Nb -4.2738462593477715 -1.5472918523301500 -1.3666197115982588
Nb 0.2129312522647094 -1.2325479068790020 4.6001920836047878

Nb -2.0867925782857641 -1.2817411619829238 3.2064510931854366

Nb -2.1753332942257790 2.6650012501732339 -3.2048915027078064

Nb -4.1219479239250960 2.7100699103345640 -1.5913510614039124

Nb -1.2478150064714961 2.8506155425833013 -0.1547457540774634

Nb 0.0645148699297365 -1.7479985485187077 -4.3180026428781311

Nb 4.4865139311447289 0.5961976164523717 -3.2135294480619345
Nb 2.6054923994745556 -1.9654087513186966 -3.1729069531699330

Nb 4.7470519189182303 0.3929190055536722 -0.1265147984394745

Nb 2.5048666291408246 -1.9271689192129435 0.0963323954295135

Nb -4.2728230254608057 0.6209601853706115 -3.1927869364258186

Nb 2.5860911416261732 -1.5469489523344477 3.3142360102617268

Nb 0.0044995475032559 2.5389171674352369 -4.7849172949277232

Nb -4.1902933441402377 1.0543566891835403 3.1999429902090770
Nb 2.0373694764836134 2.5440912165549552 -2.9500015192681452

Nb -2.2302101274958139 1.0430154783066423 4.5846974246162207

Nb 0.1337498940601059 1.0257476680775066 5.8432031077829869

Nb -2.2829267382174394 -4.0315092219674913 -1.3134801988904268

Nb 4.5796106239761603 -1.7247787740874854 -1.5948111281191035

Nb 4.3369015524252932 0.9653061674696954 3.1475432858617536

Nb -2.0924439915509851 -3.6646613414289089 1.8165371412423792
Nb 4.5664616910356974 -1.4699296496228063 1.9065235565623877

428
Nb 2.3377687731582277 1.0033510101964769 4.5948127343022263

Nb -2.2127111748989852 0.4597311248496090 -4.7105536203553404

Nb 4.3410619610109915 2.4827923332234230 -1.6960087292515509

Nb -3.9207981454578031 3.0133955551513969 1.2035308450947158

Nb -4.1688588499518939 -3.5732235132621106 0.3358394823649476
Nb -2.2180669657135645 3.1541850262329381 2.8821025192815273

Nb -4.7575436317863202 0.7170710855824047 -0.0318788855720415

Nb 0.1281917290494306 3.0476149811825564 4.3347500290618992

Nb 1.9493855952650498 -4.1208712261698111 -1.4724004263335655

Nb -0.2898995004220885 -4.1485998139681346 -2.7976893260672457

Nb 2.0870122777737334 2.9361645975030082 2.6417424116594019

Nb 2.2804330222508957 -3.9897851378428824 1.9253415001606669
Nb 0.0788326993198088 -4.0445443876508751 0.1443303328678066

Nb 3.9078499343421305 2.6472050121580923 1.0203485934149121

Nb 2.1545121719015476 0.3876645573144293 -4.5387706846085720

Pt13 Nb42 configuration: ∆E tot = 17.98 eV

Pt 0.0000001454545738 0.0000001454545738 0.0000001454545736

Pt 0.0000001454545738 1.4344506328303195 2.3008393667872356
Pt 0.0000001454545738 1.4344506328303195 -2.3008390758782347

Pt 0.0000001454545738 -1.4344503419213284 2.3008393667872356

Pt 0.0000001454545738 -1.4344503419213284 -2.3008390758782347

Pt 1.4344506328303195 2.3008393667872360 0.0000001454545736

Pt -1.4344503419213284 2.3008393667872360 0.0000001454545736

Pt 1.4344506328303195 -2.3008390758782347 0.0000001454545736

Pt -1.4344503419213284 -2.3008390758782347 0.0000001454545736
Pt 2.3008393667872360 0.0000001454545738 1.4344506328303193

429
Pt 2.3008393667872360 0.0000001454545738 -1.4344503419213286

Pt -2.3008390758782347 0.0000001454545738 1.4344506328303193

Pt -2.3008390758782347 0.0000001454545738 -1.4344503419213286

Nb -4.5995395980459843 0.0000001454545738 -2.8419667923389755

Nb 0.0000001454545738 2.8419670832479742 4.5995398889551371
Nb 0.0000001454545738 2.8419670832479742 -4.5995395980459852

Nb 0.0000001454545738 -2.8419667923389751 4.5995398889551371

Nb 0.0000001454545738 -2.8419667923389751 -4.5995395980459852

Nb 2.8419670832479742 4.5995398889551371 0.0000001454545736

Nb -2.8419667923389751 4.5995398889551371 0.0000001454545736

Nb 2.8419670832479742 -4.5995395980459843 0.0000001454545736

Nb -2.8419667923389751 -4.5995395980459843 0.0000001454545736
Nb 4.5995398889551371 0.0000001454545738 2.8419670832479738

Nb 4.5995398889551371 0.0000001454545738 -2.8419667923389755

Nb -4.5995395980459843 0.0000001454545738 2.8419670832479738

Nb 0.0000001454545738 4.6261251817543254 0.0000001454545736

Nb 0.0000001454545738 -4.6261248908453290 0.0000001454545736

Nb -4.6261248908453290 0.0000001454545738 0.0000001454545736

Nb 4.6261251817543254 0.0000001454545738 0.0000001454545736
Nb 0.0000001454545738 0.0000001454545738 -4.6261248908453299

Nb 0.0000001454545738 0.0000001454545738 4.6261251817543254

Nb 1.4427977986381519 -3.7522637613473595 2.3080830134790831

Nb -1.4427975077289996 -3.7522637613473595 2.3080830134790831

Nb 1.4427977986381519 -3.7522637613473595 -2.3080847225700780

Nb -1.4427975077289996 -3.7522637613473644 -2.3080847225700727

Nb 3.7522640522565172 -2.3080847225700776 -1.4427975077289998
Nb 3.7522640522565172 -2.3080847225700776 1.4427977986381517

430
Nb -3.7522637613473595 -2.3080847225700776 -1.4427975077289998

Nb -3.7522637613473595 -2.3080847225700776 1.4427977986381517

Nb 1.4427977986381519 3.7522640522565172 -2.3080847225700780

Nb 1.4427977986381519 3.7522640522565172 2.3080830134790831

Nb -1.4427975077289996 3.7522640522565172 -2.3080847225700727
Nb -1.4427975077289996 3.7522640522565172 2.3080830134790831

Nb -2.3080847225700776 1.4427977986381519 -3.7522637613473599

Nb 2.3080830134790835 1.4427977986381519 -3.7522637613473599

Nb -2.3080847225700776 -1.4427975077289996 -3.7522637613473599

Nb 2.3080830134790835 -1.4427975077289996 -3.7522637613473599

Nb -3.7522637613473644 2.3080830134790835 1.4427977986381517

Nb -3.7522637613473595 2.3080830134790835 -1.4427975077289998
Nb -2.3080847225700776 -1.4427975077289996 3.7522640522565172

Nb 2.3080830134790835 -1.4427975077289996 3.7522640522565172

Nb 2.3080830134790835 1.4427977986381519 3.7522640522565172

Nb -2.3080847225700776 1.4427977986381519 3.7522640522565172

Nb 3.7522640522565172 2.3080830134790835 -1.4427975077289998

Nb 3.7522640522565172 2.3080830134790835 1.4427977986381517

Pt20 Nb35 configuration: ∆E tot = 0.00 eV

Pt -1.0479240004437564 -4.0988378499548714 2.4942556872897823

Pt 1.5922207601932299 -4.0422535615710347 -2.3258682054233133

Pt 1.0708310725066061 4.1161860155522056 -2.4752692951788604

Pt -1.5941244784981483 4.0513501524582809 2.2847618198706154

Pt -2.8724860778330892 1.6657671412594772 -3.3090337057263732

Pt 2.8711158637657888 -1.6390264657693776 3.3215566822549896
Pt 2.9266093098053561 2.5277377081582397 1.9201376502088701

431
Pt -5.0979715583595056 0.3018174971828703 -1.8192853615611393

Pt 0.1069453749239775 2.3432438348475504 4.8891561935313685

Pt 0.8031988442356601 2.5599767012569727 -4.7035646098206723

Pt -0.8027361068787953 -2.5292550935698719 4.7210885481346674

Pt -0.1207227845603816 -2.3111342378368023 -4.8957501809835859
Pt 2.6453633168041981 4.7037829212722588 -0.0655320142343637

Pt -2.9987909938346102 4.7130603654172729 -0.1373949623207210

Pt 2.9969675099453963 -4.7406530803919287 0.0661361672916762

Pt -2.6283392900475371 -4.7105523555858939 0.0866927307577940

Pt 5.0903736329170757 -0.3419904674989386 1.8245730828360334

Pt 4.4044030245453696 -0.0842480950073607 -3.2605360150872484

Pt -4.3979373739061156 0.0877927718521990 3.2625206545016927
Pt -2.9255558446889425 -2.5369060519882316 -1.9041648677266829

Nb 0.0007780216359505 -0.0016553989830931 0.0016225324153786

Nb 0.2390676123730464 1.6425880116307450 2.2997382548992626

Nb -0.2235164835626218 1.3633366039406420 -2.6442789275515368

Nb 0.2267296771598544 -1.3556898455899695 2.6583586948884790

Nb -0.2459726710268011 -1.6419645044847941 -2.3028938257857532

Nb 1.4850690443593972 2.4303498374380141 -0.4416603306823901
Nb -1.2755911419454147 2.5125559022947348 0.0579744779079582

Nb 1.2749235716877727 -2.5111408313909012 -0.0686976857471984

Nb -1.4776465846709315 -2.4331801059572657 0.4518620369946386

Nb 2.6127835389764740 -0.0432280647859659 1.0609549158265532

Nb 2.2305678376785325 -0.1285305333569772 -1.7631141177859158

Nb -2.2317629066562144 0.1233046751268488 1.7619352804178450

Nb -2.6140698208864666 0.0397068790824973 -1.0499752417137314
Nb -0.1786260022259591 5.1379416316046544 -0.3423258695026413

432
Nb 0.2123668064927584 -5.1366969261211679 0.3599852962329470

Nb -5.1103409768422932 0.3561282548670071 0.7534230144178490

Nb 5.1037139178495519 -0.3822472799575447 -0.7507467806616722

Nb 1.1280429896854951 -0.0779157453037506 -4.5582262152595954

Nb -1.1363130461536410 0.1010691965227628 4.5599423716683374
Nb 1.6151348445052065 -3.8403636703811559 2.2705844914780613

Nb -0.8821658296963084 -4.3239287707154705 -1.7821672169303298

Nb 3.7642763123272882 -2.4913562676016130 -1.4061545688011503

Nb 4.0734413715070508 -2.7010025606850196 1.2308408044403383

Nb -4.0352435516629157 -1.9986785505712317 0.7441596880080995

Nb 0.8981230026346456 4.3175191760413396 1.8021364596619260

Nb -1.5928573501191237 3.8528221714272752 -2.2826489827586909
Nb 2.8730578325094314 2.0892508667200569 -3.1601658726362452

Nb -2.0130603301545302 -0.7514435236856811 -3.8579142053733482

Nb 2.5390731028037217 -2.0185412967464860 -3.8150205425734942

Nb -3.7785896751295289 2.4842426889628912 1.3715408590878277

Nb -4.1249375667433341 2.6662853511058282 -1.2454880428064488

Nb -2.8713832326943316 -2.0933155063448039 3.1719707046812782

Nb 1.9874866294548390 0.7659233032792445 3.8854904596437967
Nb -2.5396296778659280 2.0406375561619376 3.7851618889896166

Nb 4.0456305338035454 1.9713594263733953 -0.7306838037045781

Pt20 Nb35 configuration: ∆E tot = 1.34 eV

Pt -0.8646568314735283 -4.5421712807261496 -0.5598992565179507

Pt 4.6189043643224261 -1.1220298337830483 -3.3343034831159875

Pt -1.4850667532155821 3.9135769736448331 -3.2056772530652937
Pt -4.6939659050178903 -1.8975962044098478 0.3132516808373040

433
Pt -3.7864224327034224 2.0986141654479722 3.2223631142736977

Pt -5.1160734730063471 1.3552273633164451 -0.4756237587403121

Pt 4.2514563405237009 2.5380573654020724 2.2850084229991343

Pt 1.1544388680942546 -4.0430764558834849 3.8765273243135838

Pt 2.6855058138352708 3.4251455362575101 -2.0552169667519862
Pt 0.2672074429514390 0.2938559198505714 4.7007851180991640

Pt -4.7971051064225199 -0.9368999256593161 3.4577805733459113

Pt 5.1851899263817565 0.4205605441527164 -0.9993819817918986

Pt 0.7038371578042630 3.9894935151058961 3.0823111594510997

Pt -1.2569095856981889 0.0879146183201161 -2.5885281261099102

Pt -3.6049873964950443 0.6567681627678238 -4.1825594445531094

Pt 1.3809175981048716 -1.6250785945196493 0.9049098377697323
Pt -1.6667433703708943 1.0279162160371915 -0.0328704601706070

Pt 0.8158095587560497 1.1533784216551015 0.8945020583543665

Pt 3.8052166491621708 -3.1058914581747392 3.9492467360485066

Pt 0.1832657604543315 -2.4170386606998324 -5.1985877163808816

Nb -0.9904469413188366 1.8418756526012885 -4.6677288177446155

Nb -3.7728194958387369 -0.6063934410474808 -1.7937925576981093

Nb 4.4809165472056902 -1.8589936198198869 1.7166639020864167
Nb 1.5896721611631841 -3.5955305782369082 -1.1264135908367954

Nb 1.1895264734428137 2.8540154255610579 -4.2637437844120356

Nb -0.4445779926436871 -2.7924629537845167 -2.6374603680416047

Nb -0.3997322450184538 -3.5656117033326229 1.8399417874021964

Nb -3.0213593421679810 2.1474708649337848 -2.0257693318314129

Nb 3.0048298591476326 0.8068615901632393 -2.5429458105283484

Nb 3.3051920708360139 0.4732056887581743 0.7555396228747099
Nb -2.2143815802961075 -1.5892556228721149 -4.2206907523269068

434
Nb -3.6708666383926949 0.1988480742491006 1.4372263687416234

Nb 0.2733397237965005 2.2739267199731632 -1.7419157566687402

Nb 2.6496660120824109 -3.7355149363798965 1.5609814265276944

Nb -0.7943612372512936 -2.2853800151675427 4.3627002431475663

Nb -2.9150639549882191 -2.5312753097533607 2.5535700488785666
Nb 2.3135133446706009 3.3876612207777526 0.6001328894931316

Nb -3.3083250733519645 3.1246551953510653 0.6641192081439081

Nb -3.1717068301688793 -3.1645890712378590 -2.0828394414284794

Nb 4.5815049244834052 2.9165109745542170 -0.3333001762263371

Nb -0.7948123605168256 -0.6694883028265409 2.1621102742893554

Nb 4.0905997638040716 0.0331015829088724 3.4057981296562585

Nb -2.4198833304446730 -0.1175401407751248 4.2402855881982733
Nb -1.6925337159532448 -1.8293052755234367 -0.2289829430830719

Nb 2.2674787012036179 -2.1269214870465807 -3.3939988620863848

Nb 0.8431755610355580 0.0032356499880749 -4.2780616650556587

Nb -3.2329128875637769 -4.0694215936179505 0.4353479309988998

Nb 1.9197290103694322 -1.3910780257853310 3.4891623717155547

Nb 0.2954890994232754 4.8165830940339687 -1.4072058231426166

Nb -2.4280294828574727 4.8325414863095402 -0.9464006282750536
Nb -0.5134168979235270 3.6020344518265532 0.7763003357913686

Nb -1.2328654159179231 2.0702123834097850 2.7448209664182865

Nb 3.6044111654375643 -1.8712342185065443 -0.9696918225071004

Nb 0.9463176707995287 -0.5281810227934715 -1.3906303949259158

Nb 1.8829147077258748 1.6747108750053488 3.2528338541608113

Pt20 Nb35 configuration: ∆E tot = 2.51 eV

Pt -4.6656357818268521 0.7656107235762543 -3.1110729067964638

435
Pt -0.8223320996943957 -4.5597440288516458 1.8595061126623673

Pt 3.0093080603040612 -1.6570676791207561 3.9894115395744625

Pt 0.8927061231807407 -5.1676172676657668 -0.0746934954001745

Pt -4.7865681978307384 0.6698560995670865 0.0341873559979418

Pt 0.1552011150417618 -2.2168510683239995 -5.2116912553744843
Pt -0.2912092290888384 1.2125806281617737 5.2755406611933164

Pt 1.7514926699251325 -3.5817315545154491 2.2340621972470958

Pt -2.9651996548196884 -2.9953608423310918 2.4720567664936839

Pt 1.5543406641377033 -3.6966900641733229 -2.8086190375069160

Pt -0.9280380062783542 -4.5537343636831640 -1.9322525046608818

Pt 3.7543659868871955 -2.1516530621970089 -1.9458484335186179

Pt 4.2652167010333573 -2.4012606935228447 1.7506149443036489
Pt -3.0196644066909482 -2.9225186442090130 -2.4728390998240073

Pt -4.3234448644503400 -2.1748735604027574 0.0560841399521209

Pt -2.2843468195315815 -0.6853144879941303 -4.0379981487478780

Pt -2.1464726820424831 -0.6725260559827583 4.0813479383126205

Pt 0.5836488472859052 -1.1773391279674015 4.6428003246865623

Pt -4.5360005511471737 0.7001527981053687 3.3494314989056191

Pt 3.7882536313554991 -4.1129263300239716 -0.1667374477569554
Nb 0.0771177965207091 3.5305415090707224 4.3051433799408709

Nb -0.0860792555205609 3.2389974901552483 -4.3465144988938995

Nb 0.1503149159796806 3.8945851029976466 0.0908480862248187

Nb 0.0914802834182975 0.3316809315777575 -4.7528908782707164

Nb 1.6185648580403962 3.2859269940194631 -2.0198859153454154

Nb 1.5993999010247517 3.5522377345434748 2.4265962980528819

Nb -1.3116350809847210 4.1084373824752145 -2.2142826708878269
Nb -1.4888450511116420 4.1564473746325223 2.1879369627314347

436
Nb -2.4177573119669020 2.0120918629284676 -3.9491921750350021

Nb 2.1442506338202936 1.7764683641048857 -4.0241422134356819

Nb 2.3867670204179090 -1.3813552044040116 -4.0696982003108930

Nb -3.6776837424649722 2.5169764418145175 1.6793494395018216

Nb -3.7262875932845976 2.6486465757911071 -1.5675012153257792
Nb 4.7792328706148623 -0.1570160701290696 2.9485146684609131

Nb 1.9620671993885497 0.9898738010796385 3.6228078904018837

Nb -2.4137535580199394 2.0456913643309553 4.1167032501781566

Nb 3.9066001784470381 1.9232438884690879 -1.2888116984085449

Nb 4.0345680059093478 1.7793905726492958 1.7675048504035800

Nb 4.1119153443008969 -0.4226951352911742 -0.0286749749745544

Nb 3.1619411666871633 3.8770343485472738 0.4208049703029071
Nb -2.7661517699850107 4.6047805841338931 -0.0093385454323433

Nb 4.2317014927048557 0.2221437993884156 -3.1781851738414817

Nb -0.5043398831854002 -0.7935895210817508 0.0136060879573839

Nb -0.5304808720382588 1.3321928534950631 2.3343534872957856

Nb -0.5669097287947569 1.1844802982829132 -2.3356752688084130

Nb -0.4558694555402782 -2.1305086065575631 2.5440343850528375

Nb -0.4649863471429039 -2.0936279573076169 -2.6665470642290572
Nb 1.4920598856683103 1.5009024108443549 0.3915706503567478

Nb -1.7866684864363109 1.8537963338519234 0.0200201450443772

Nb 1.6175900900998290 -2.8330876973454364 -0.3262742508553073

Nb -1.8880566729953498 -3.1806740933831117 -0.0184657732132631

Nb 2.0107788858883646 -0.8672211917382938 1.6450425241843909

Nb 1.7557295242803661 -0.0883617039935388 -1.7792290984426329

Nb -2.9828929289051800 -0.5271602929052092 1.6022492704593605
Nb -3.0493038205847949 -0.5122619634924676 -1.5250678805824049

437
 Pt20 Nb35 configuration: ∆E tot = 3.81 eV
Pt 0.1520087409244422 -1.9712063296464586 5.0798121510084426

Pt 0.0077882640636402 -2.7377492709382487 -4.7813110252571214

Pt 3.0344528909606479 4.4315375991091521 -0.0130259884592814
Pt -3.1701161133218441 4.2833325941054863 0.0569530827244506

Pt 2.8320338443045650 -4.7422788808513010 -0.2896856838482474

Pt 4.7093205341177109 -0.0546607605938249 -2.8471793277752853

Pt -4.5543059460711479 -0.1241664808750706 3.0104902903591180

Pt 0.0444671812055497 -0.0984576582727583 0.1274403001079233

Pt -4.7160161554731950 0.0067811765745885 -2.9901665846782324

Pt 0.0351246780283758 3.2909631427400088 4.5934194480780652
Pt 0.0186379496282940 3.0003374563875740 -4.4862894857949689

Pt -3.0389040197623496 -4.5637242032072258 -0.2860057820494376

Pt 1.4061381698166853 2.2593511527885282 0.1013290447888668

Pt -1.4877010556080157 2.1516164195071124 0.0657384075110933

Pt 1.4094183387278758 -2.3929471660338262 -0.0889634941415447

Pt -1.4593584855494603 -2.3198608377376351 -0.1017014262196337

Pt -0.1413706188148589 4.5295415475611129 -0.0128261338740825
Pt 2.3157249342579269 -0.1206292513785158 -1.4551548547583144

Pt 4.6889008182510699 -0.0074132532223543 2.8430649379185482

Pt -2.2995887766474761 -0.0186966369798660 -1.4505634345734115

Nb 0.0522282938159344 1.1640253761972157 2.5264337498227190

Nb 0.0654367018873907 1.3187196007031718 -2.1880492703881553

Nb 0.1878377223685852 -1.8597598007640266 2.4294482113944462

Nb -0.0264145512396505 -1.4021524543624211 -2.2809494614598429
Nb -2.2505857226355461 -0.1496754514612543 1.4149745993693144

438
Nb 2.3939600866762714 0.0768248858044623 1.3085187457646954

Nb -0.0570416972708145 -4.6541907233754065 -0.2889424749522301

Nb -4.7098601016230415 -0.0431880694870483 -0.0452677526689156

Nb 4.6676034421162171 -0.4551957582897787 0.0757071746461459

Nb 0.0301216449033754 0.0857594845395049 -4.6091554611171608
Nb 0.0882487199400381 0.6537361496135699 5.0716280396446436

Nb 1.3454993780786497 -4.2119563053279192 1.9246578666734397

Nb -1.4730134999936795 -3.9493960134132147 1.9277091855032846

Nb 1.5067839500315763 -3.6438807794150341 -2.5738995960338356

Nb -1.4806176961076807 -3.6591545362956985 -2.4965933621404712

Nb 3.7475906561590535 -2.3988999956433057 -1.4490146188162394

Nb 3.5675087075837215 -2.4651635580778466 1.5240134100158713
Nb -3.7925714484315414 -2.2160387316669352 -1.4935648323843969

Nb -3.8508315525223158 -2.2105409893583490 1.3446125201730628

Nb 1.4676425287147714 3.6583965023443059 -2.1830853996737383

Nb 1.3997121109556947 3.7415116219403783 2.2697369640971066

Nb -1.5416239307805835 3.5708384417757677 -2.2550776177366707

Nb -1.4610411822618599 3.5679214556878085 2.2980722533050058

Nb -2.3110815007956145 1.4397138327904149 -3.7741619948864584
Nb 2.4078790419438807 1.5429210274446423 -3.6841813400528984

Nb -2.3529442442207587 -1.3673036624160555 -3.8201232523641662

Nb 2.3372268021851701 -1.3283921056300656 -3.8227287506260730

Nb -3.8768044794566303 2.0794856067111249 1.5184019681546250

Nb -3.7974396106216566 2.1612572549568823 -1.4792338039555541

Nb -2.0882830585527752 -0.9266337822574005 3.9464469885920859

Nb 2.3315420713753618 -0.8340640988634451 3.8467168237926246
Nb 2.4723572259428321 1.8580446393133907 3.7981314054356701

439
Nb -2.3506560563008354 1.6640163692435286 3.9038881697861751

Nb 3.7224599768897111 2.0675235228888207 -1.3109923137917863

Nb 3.8425160982083111 2.3232206851137374 1.5505487858107336

Pt20 Nb35 configuration: ∆E tot = 5.25 eV

Pt -3.6024637660189516 2.9286723722782115 -1.5402673828780309

Pt 3.1667323238031493 -1.4880857551311324 2.9990402659230204

Pt -0.1788294059928478 2.2847829843753376 -5.6015802988770345

Pt 0.0762247843220894 2.5884729778220437 -2.0433012878462384

Pt -2.3934640341069304 1.0858247254927427 4.5392035617561222

Pt 2.2156732228217537 0.7800861222892845 1.5792490833132200

Pt 3.7448231048906764 2.8506046297805350 -2.1549139870151559
Pt -1.8636911188547181 3.4844068472702956 2.9352010403299906

Pt -4.4461589313323868 0.7423113304841304 0.0189608349727394

Pt -2.6533450559968990 -3.4421634541399784 2.0840726081120908

Pt 2.4187530586603589 -4.0566964177115947 -0.9312438560201620

Pt 2.5243546626409095 3.2269263575552771 4.0755766057091902

Pt -2.1811189901267256 -3.4996679226854783 -1.4550282413126110

Pt 4.8092909999265094 -1.7033890115068349 -1.3827368029043383
Pt 2.3606877549117282 -0.2362783505806190 -4.9643885794408629

Pt -0.2118582937050021 1.1273762533348595 0.3387652111448202

Pt -0.0499221414518118 0.5898267862667932 3.1312983251324327

Pt 0.3078710189923551 -2.3542114438827855 -4.6556147718701872

Pt -0.0055299794651417 -1.3552651424808964 -1.2534113088998982

Pt 0.3115674085086291 -1.4982452316071273 1.5628616770045509

Nb -4.5778161463697238 -1.2351480531084877 1.7909092136164053
Nb 1.9208111159829231 0.5620172722697940 -1.5438343924072619

440
Nb -0.2511223977169108 -3.9158286912905571 3.0010130759705294

Nb -4.3308921566188374 0.6580986357014915 -2.9032349758990406

Nb -0.0593062823508469 0.1565237337072400 5.7743579028875542

Nb 4.6963554145856419 1.0801435318467196 2.6836395389848593

Nb -2.5275405411933747 0.4050778861768374 -4.8233348807508865
Nb 0.0140959171875468 2.4302460536170352 5.0732593835351967

Nb 3.7302629091749204 3.1618434499813910 1.6434237122017679

Nb -2.0015161615288388 2.5905954367408346 -3.6172759674311084

Nb -1.5582352085471551 3.3896363105448288 -0.0031876148703010

Nb 4.1078421368639999 0.2490404252183172 -2.9527350206256719

Nb 2.4192541821915801 -1.9024012064873295 -2.7954876585164752

Nb 4.3650837669955234 1.0705916086799903 -0.1693441105186174
Nb 2.5620655679366586 -1.5915486388951148 0.0935977898160901

Nb -2.0480602544779907 -1.7058671945727253 -3.4028831748356629

Nb -0.0117723319748215 -0.1979040165447861 -6.1909275230181757

Nb -2.1660951469641510 -1.4440590429485411 0.3533190690830225

Nb -4.3287700682081951 -1.5541773240053003 -1.4043844651012345

Nb 0.0029365816683367 0.1574530953810152 -3.6515585353053539

Nb 0.7661956631309531 -1.9708486146093043 4.2026197993265662
Nb -2.0054492233167767 -1.3060221616412437 3.4261759277252226

Nb -4.6383806624041570 0.7200836935332104 3.0755667935846334

Nb 1.8936666594500207 2.1431327806993505 -3.9080245006841845

Nb 1.9634426133858660 2.9812321296535562 -0.0985617301235776

Nb 0.5786583716856620 3.0450636275213614 2.3449997987574167

Nb 5.0529135260713520 -0.9824737878172287 1.2764273896560356

Nb 2.3193183123070065 0.6642179620877664 4.3162808527713432
Nb -3.7968978373727329 3.2803739031237593 1.1591498402966958

441
Nb -2.0840772186995795 0.6026972971373776 -1.6683314160957885

Nb -4.2764037668261548 -3.5191334407427095 0.0262763819684545

Nb -2.4409210324748432 1.0813515155987348 1.8166151694797861

Nb 0.3440197204559397 -3.7105749041026814 -2.4038556201939527

Nb 2.1199474069393465 -3.6491012557976776 1.8685360990993356
Nb -0.1032100513949332 -3.7996206738799896 0.3290511512827182

Pt20 Nb35 configuration: ∆E tot = 7.32 eV

Pt 0.0295639719828903 1.0832742446810597 -5.1943570073903054

Pt -3.5269956136458602 -1.0978165706949250 -2.7570586876383949

Pt -1.2184791085658488 2.8480050374690884 -3.5572748052377410

Pt -4.5262415766445212 -2.5707831256135418 -0.2020941794500122
Pt -2.5122861837034303 1.6636120253127440 3.2875971829053903

Pt -4.4152859808528770 0.1279850905956871 -0.5218148512823972

Pt 2.8164733004839517 3.9533999488051879 -1.6620911376970808

Pt -3.9446169547631125 -0.0996367600851681 4.7369188772364907

Pt 1.1809403716401266 4.2414472450492449 3.0540087392916995

Pt 1.7752100440580982 2.6821729911489696 -3.9176517022974329

Pt -3.2671753866751918 1.8151909872737253 -2.1454132504110666
Pt -2.2870046130012534 -0.3501575216774722 -5.3455280006636938

Pt -6.0340350784657391 -0.9086175988261612 1.2968241466564689

Pt -4.4323209730285704 -2.9583411987674193 2.6252254143251585

Pt 3.1122783430044536 3.8644674603212423 1.1214586295276587

Pt -4.5180547722887594 1.8155661364824982 1.5319240149358502

Pt 0.6271313150260481 4.5329121800085419 0.1578613904246760

Pt -1.7329827652563574 3.8326786819980150 -1.0317235069883404
Pt -1.5036176106610852 3.5296418275117256 1.7161267036984926

442
Pt 0.1676161775911512 1.8681811266514980 3.9497872388751238

Nb 3.2449093095955148 1.2163919655102036 0.4201577050172587

Nb 2.1333422724017477 -4.1987311704725103 -1.2463596781929327

Nb -0.6333694201682537 -4.4858920549715027 -0.4085481505491069

Nb 4.1520582115938023 -0.8539894625276837 -3.3791180222261987
Nb 4.8910278419869995 -1.2957871070040077 0.9937508561117514

Nb 5.7868649855660008 1.4686672545390747 1.4462110787151403

Nb 0.3491202247331260 -2.1988277544362629 3.8410168966155060

Nb 1.6818283674148538 -0.2006029020444885 4.4540414874847851

Nb 5.5190439461109717 -0.0582762431300404 -1.0490909199317253

Nb 0.0202286382202520 -2.3795755541857644 -2.2146445582380467

Nb 0.2371710625121647 -1.5805568279069919 -4.9102680208386884
Nb 3.6475358763866175 1.5062384905281694 -2.3408559774035664

Nb -1.9508637120022521 -3.1338610715835129 1.9495851629532526

Nb -1.8697844088825624 -2.6861141819959085 -4.3353119201276735

Nb -1.3414718863920740 0.2982107756796605 -2.9647940665461379

Nb -0.8462740989289227 -0.2845590448249853 2.2170836825181484

Nb 0.4924122507436566 2.7247572133460229 -1.6801393272078273

Nb 0.5061295814201464 -2.5063965257547767 0.7569783917062411
Nb -2.2850132037821731 -2.0906780845704143 4.3437561081192850

Nb -2.1764098184975791 1.5640355173100295 0.1799756070400336

Nb -2.7108326406047802 -3.6245654309396786 -2.1550616313747026

Nb 4.9985018078555044 2.9701919236214565 -0.4345601213035801

Nb 0.7110813477799413 2.2681813788559633 1.3876533602194494

Nb -3.7094575767790183 -0.5380869695613916 2.1705814896842943

Nb 4.4841058266313265 0.2163280429647615 3.1010004344180260
Nb 2.9954937632887266 -3.3434387508969263 0.9621473232586484

443
Nb -1.2300613734923387 0.0018691886615420 5.0803393079328805

Nb -2.0608779761716067 -1.5390748488517305 -0.3615672323031756

Nb 2.5304860426288376 -2.8283944397203422 -3.3951161475870455

Nb 1.5895715913290276 0.0547586887929058 -3.3133022639863947

Nb -3.0917643026232304 -4.6336722124961742 0.1268045272562257
Nb 2.0926872880404743 -0.6430683142923043 1.9065089094637024

Nb 2.8377758013675671 -1.4237414054861710 -0.9661380661420218

Nb 0.3687645884910345 0.1667995833213766 -0.5498693447768075

Nb 2.8459228859923900 2.1982781268778600 3.2244279114004595

Pt20 Nb35 configuration: ∆E tot = 9.71 eV

Pt 1.6597774053306455 -3.8160370757467734 -1.5319673017555901
Pt -1.0664257779010149 -0.9952929527742065 -2.4570212468911015

Pt 1.4506579207358241 -1.0391980610542493 2.6435361164937792

Pt 0.6698099308141606 1.1691487733340238 -1.6943777063296404

Pt 2.4062271845607461 0.8473031677027720 0.4721767930996761

Pt -1.9685606040055066 1.4196888628280826 -0.6450334841863135

Pt -4.7576530590257891 3.0029361443578657 1.1743962420881742

Pt 5.5446012463101919 -1.9592696911651977 0.8487923481885258
Pt 5.1818580317324274 3.0633057613613550 -0.6605151078234024

Pt 0.4377138686130749 2.7026707137883554 0.5969661092989971

Pt -0.7973981653480077 0.6837786699237431 2.0488627936784169

Pt -2.5523000456267315 -1.1273225317003017 -0.2541300054732875

Pt 2.8877135452029723 0.2722091231509554 -4.0821069903573770

Pt -3.6203917877249698 -3.7475124739241603 -0.0278933408927253

Pt -0.9345669411566605 4.9497284320806108 -0.2050656833163717
Pt 1.3348711776952538 1.2255911063341185 5.3973091895633587

444
Pt 0.2771477160826409 -0.9722473670709297 0.0587835599186606

Pt -3.0796712930451733 -0.9326335891161015 4.1122656704496530

Pt -2.5366805557661798 -3.7707036531882587 -4.7863480770079088

Pt -2.4130485069100085 1.2497556202805884 -3.5617179425142647

Nb 2.9617164901056565 -1.6480185661964233 -0.0847167178380283
Nb -0.9666248326851538 -3.2590222869977050 -0.7286803182338235

Nb 1.5924433033811973 -1.3035371946230512 -2.5000566068489771

Nb 0.0958397050976373 0.9011108327422619 -4.2898682295643011

Nb -2.0583432123397127 -1.2042188936939195 -4.7952170594515531

Nb -3.5699775972254342 0.5570519331549904 1.6098444238321223

Nb 1.1250309849620077 -3.5617064753846841 1.0997742319286821

Nb -4.1957531389311127 -0.4693706772435593 -2.6395078060327668
Nb -1.5324912417337706 -2.9565383418378963 4.6781780997014915

Nb -4.0552015644151940 -2.0590607237541163 1.9751278613624448

Nb 5.0748873507569137 0.3930617892874211 -0.2959626336012082

Nb 2.9947241259062509 3.5478986593914033 0.6976813138855795

Nb 4.5143002801203691 -0.9149441555617825 -2.2877510338943612

Nb -3.1825305228182033 -2.8871138099771909 -2.4448224710618671

Nb 0.0138215538763761 4.4333501357229759 2.3799046266992603
Nb 0.4082879275020425 -1.6076870069352542 -4.9646388961794345

Nb 3.2827699955108298 1.7710819888220295 -1.8860965318618383

Nb -0.8817794276049190 3.1928765271203683 -2.5835565565471681

Nb 3.9924802994544719 -0.4899522821631581 2.3866261561343247

Nb 3.8888115532126233 -3.9887736181699665 0.1099445090557756

Nb -5.1584898277428781 -1.3649743300486012 -0.3800664382348100

Nb -0.4300044678287490 -0.3219077738160567 4.3735031773797761
Nb -2.7843718755022624 1.6317418115489641 4.0875191073522812

445
Nb -4.7326385410341398 1.2406076912540263 -0.8132006321073670

Nb 4.3985354925847497 2.0415984936325784 1.9950139374027893

Nb 3.2516190977308721 -3.2153412313221472 2.4268288931162028

Nb -1.3666890372113651 -2.1670400657669755 1.9899506701540211

Nb 0.5373149695193810 -3.2357644467528730 3.8961062100617507
Nb 1.3282722259492830 4.0839354421740026 -1.5736658398179046

Nb -3.0549813342827274 3.6699073367931661 -0.7144489807708188

Nb -2.1229788232302513 3.0310525308824690 1.7930548805159543

Nb 1.6126390986975392 2.9517887945715540 -3.7552369238180212

Nb -0.5571184212385339 2.6900792850035926 4.1892473861220996

Nb -0.3431788100089525 -3.5161859538861227 -3.3091519707221400

Nb 1.7959769308972637 1.8081156026273886 2.9114282256505790

Pt20 Nb35 configuration: ∆E tot = 12.61 eV

Pt 0.0282958326994353 -2.9732552135110581 4.7522091843680769

Pt -0.1966889699093156 -2.8950122398343474 -4.6043362066398981

Pt 2.8635400583454400 4.5907863465052170 0.0494784032649193

Pt -2.6880978368985518 4.6956051107200913 -0.0923882407750236

Pt 2.8747534851914054 -4.5842977698690195 0.1104010044696233
Pt 4.5685230814904916 -0.2327860968259752 -3.3260868149867782

Pt -4.7842156832822100 -0.1359440398119123 2.8177239719753175

Pt 0.1201294736190714 0.0828680800439107 0.0962597147710038

Pt -0.2458792886518815 1.3631620414123067 2.4144358529671073

Pt 0.0719071483838069 1.4376151714681384 -2.2775193414177779

Pt 0.0201751235575198 -1.3971700225371748 2.3459853400654702

Pt -0.0347304315280602 -1.3893134289087272 -2.2503789815683821
Pt 1.5768568272545656 2.2868805928519347 -0.0598097989985922

446
Pt -1.3857599721130911 2.3128152687255898 -0.0078706993697981

Pt 1.4499448008296674 -2.2049644189887903 0.0627235001127952

Pt -1.3992554679295695 -2.2503863147665744 0.0577082434462319

Pt 2.3450493730047182 0.4286589179755595 1.8977622249557666

Pt 2.3729351177864930 -0.0438249446181552 -1.4283179546089451
Pt -2.3523077834527566 -0.0325245280765203 1.4172724662064713

Pt -2.2725010496431426 0.0340744927990059 -1.3834587764286823

Nb -4.6109060347727695 0.1664225945723840 -2.8247747470699136

Nb -0.5584638237528768 2.7021571932510193 4.7911368957364155

Nb 0.1855896566832186 2.9551246164692246 -4.5834619304294293

Nb -2.7812463685766411 -4.6514730085850235 0.1126104090946240

Nb 4.9374087965469444 0.0642434408937848 2.0731263283951593
Nb 0.0866026373540393 4.5962773463251283 0.1247455170615319

Nb 0.0612125530832292 -4.5472060104625491 0.1441984231724067

Nb -4.6319919076865190 0.0735617563929509 0.0285531321260555

Nb 4.9253429096430379 -0.1017139686783706 -0.5783751364471321

Nb 0.0441581468666514 0.0304187202760810 -4.5637796987055674

Nb -0.2689575504068361 -0.1875287632422964 4.7482183519238434

Nb 1.5961164931024756 -3.5540787114574148 2.4346307675440344
Nb -1.3351356328215092 -3.7506533788988090 2.3403885782823255

Nb 1.3527754336770790 -3.7166565681015857 -2.1751889895628076

Nb -1.4444588565997876 -3.7305759979750426 -2.1842501793497164

Nb 3.6401102652857835 -2.4028706527659009 -1.5357617147778049

Nb 3.7779899654905353 -2.0054589678465042 1.3924166652547254

Nb -3.6981324947441534 -2.2665252918787409 -1.3803932031666650

Nb -3.7283173385094068 -2.3624336561040820 1.4408543267895164
Nb 1.5263343316192493 3.7616778397039847 -2.3035118947602435

447
Nb 1.2068661713716571 3.6267643678150523 2.2445447090019344

Nb -1.2682063664941499 3.7510226162613156 -2.2911216834680146

Nb -1.5321750901486233 3.7305399524586838 2.3347557469841917

Nb -2.1829477654290024 1.4403936382802081 -3.7645608246236901

Nb 2.3377878783820822 1.3866205965350891 -3.7420199848748870
Nb -2.3482045985840321 -1.3460405567050886 -3.6492402922466121

Nb 2.2139813201707690 -1.5608730291937540 -3.6811493596382463

Nb -3.7082405615633127 2.2652597823922886 1.3349621062325738

Nb -3.7238964171894242 2.2785806149768115 -1.5264060252916529

Nb -2.3318022873969015 -1.4967325371214715 3.6549797970027078

Nb 2.2503160619131632 -1.5541993166318626 3.7910593167071824

Nb 1.6808266027910959 1.5670154457533816 4.1652299595901869
Nb -2.5818619486781946 1.3215807045192640 3.7889440356705415

Nb 3.8418202404782011 2.1945727062794385 -1.6609445437728496

Nb 4.1370317401408956 2.2297994777389043 0.9077920498063698

Pt20 Nb35 configuration: ∆E tot = 13.64 eV

Pt -0.5827800484166560 5.1380775845571653 1.7034826834763783

Pt -0.9889256620038406 3.0545613321198735 -3.9246756796469322
Pt 2.3006455360677123 4.1905149795711187 -2.4120656468516852

Pt -2.9755691915169313 4.2907821836102817 0.8202934058757018

Pt 0.5987122978376068 1.8639655974414218 -5.7190925508635644

Pt -2.7783882718167665 0.5969391890393279 -5.2827728994998990

Pt -4.4459122293837430 2.8959674900783647 -1.2024409137555210

Pt 0.0344758283385144 0.2172549313790923 0.0803290020082591

Pt -0.0213995044816018 0.4075819686112644 2.7299416931659310
Pt 0.5978254991159445 2.0157416386759834 -1.8782202275769231

448
Pt 0.7576173731442754 -2.4413624394356237 2.6466940699798185

Pt -0.1779454658992104 -1.5064199603867945 -1.9714401384585158

Pt 1.6568494295320078 2.3268354456803255 0.8063216338262406

Pt -1.6659245830871605 3.5585964471504674 -1.3222738107928056

Pt 1.5348514916878049 -2.4727551308691078 -0.0461065246858302
Pt -1.1200075527553650 -2.2885721746591052 0.5315305433715555

Pt 2.4063817900136586 -0.2926204775271660 1.4282094835056891

Pt 2.1871012080224959 -0.1999755868833104 -1.4232599229447056

Pt -2.4055461284530169 0.0921925752382722 1.1286793349786595

Pt -2.1165711507227787 0.4959966405245934 -1.5682157607730753

Nb 0.2244765841884854 -1.9437404730764636 5.1778011049695998

Nb -0.5891647925536144 -2.6476274682812626 -4.4389046650938937
Nb 0.5740210907383748 4.3051297169122620 -0.4477043467138232

Nb 3.0430296495935369 -4.8090068336845784 -0.5368874582442474

Nb 4.4420812144357980 0.1974564636808871 -2.8884136094484392

Nb -3.1045952916049711 2.0159423394908638 -3.2075144272546776

Nb -0.5029889539889408 2.9097404209774984 4.0209569230086490

Nb -4.6076734210745451 -0.1924502021849100 2.7908337390854117

Nb -2.8593363896827007 -4.5005987611949445 0.4809377252093124
Nb 4.6648721658329695 0.0776929223180362 2.8591832838619822

Nb 0.1312016872680443 -4.7000222860447627 0.0337621513841927

Nb -4.6044308905711748 0.5312985692802730 -0.1382151686113681

Nb 4.6559249460761842 -0.2078712714315778 -0.1305431347236542

Nb -0.4406669718912578 0.3807707918521157 -3.8846171874007691

Nb -0.0217414213174515 0.4036559844002405 5.3188265406823678

Nb 2.1086978957774591 -4.5444121951552958 1.7417869564431914
Nb -1.5049492176160768 -4.0955438040361614 2.4938013206168286

449
Nb 1.2260254604335445 -3.8054338306748381 -2.3943224795313807

Nb -1.6561319022256018 -3.6988335454299728 -1.9485654418710381

Nb 3.7541104369087330 -2.3537871513619213 -1.6184131403561286

Nb 3.8057191997722968 -2.5771812920129076 1.2030980170268861

Nb -3.3035563987118941 -1.8749308922614241 -0.9883897481221900
Nb -3.8087204164951931 -2.4469265170177645 1.5782848074165565

Nb -1.1223958453058864 2.4866097065875152 1.2647376617550858

Nb 1.3923739708517362 3.8826514231697642 2.8359286376630797

Nb -4.1808348874552328 2.2050413522363339 1.7580184952250846

Nb 2.2658870688568227 1.3658719366911789 -3.8445635968341429

Nb -2.5206317051767191 -1.4327657760703947 -3.6320758782790481

Nb 1.9017635550655634 -1.4009725000123352 -3.7640826303597903
Nb -1.8720416051550870 -1.5518454751745845 3.3559045539191614

Nb 2.3718964323681213 -0.8574490114053950 4.1300424500757948

Nb 2.2515656725784106 1.5964970227783939 3.6764741221285253

Nb -2.5502861031835486 1.1678172625474004 3.6664291721536113

Nb 3.3532823165462875 2.2039818212458129 -1.2305263674210025

Nb 4.2877262014945758 1.9679393184264724 1.5820138433014959

Pt20 Nb35 configuration: ∆E tot = 15.68 eV

Pt 2.3430437253085614 -0.4638426331220943 -0.4322779971720587

Pt 2.4755626671578383 -1.0058201315658761 2.2509427619042350

Pt -2.1358003740311968 -1.3054374271294924 0.0682135761149392

Pt -0.0438501427850348 0.2522130540461530 -2.9136372840386695

Pt -0.0332757592607531 0.6827692511824038 -0.1416617372174920

Pt 0.0771502103117692 0.5518387388559917 2.5459659429195902
Pt 0.2480124400384179 -1.9831461815567819 -1.1314723208546846

450
Pt 4.6961840834194302 0.9295296916833719 -0.2713599658387555

Pt 0.0069101124370295 -1.9837850410731963 1.6322625994628437

Pt 4.2187515681203660 0.4944091060345893 -3.0071641633613275

Pt 1.7315208371593844 3.7865667259347000 -0.1809892586759609

Pt 4.1816538261094793 3.0918439032138512 -1.7154990727254846
Pt -2.4560505524422602 0.9332727752027307 -1.6471625560463052

Pt -2.4095541470405264 1.2072993691669287 1.2439945493877194

Pt 4.1698274304152401 3.4098909288220152 0.9846773509349358

Pt 3.0374201848416389 -3.1312308455210873 0.5932406472643623

Pt 2.7741662246510428 -1.8919982683567198 5.4006469626032549

Pt 4.4181242602345066 -1.8011057925158453 -1.3634399571916624

Pt 4.7529378539520293 1.3330725145901516 2.5816903149892534
Pt 4.8643906116529516 -1.0987711992819251 1.3175483390457008

Nb 0.0154523130906332 2.7210117701758700 -4.1101998396867945

Nb 2.1178168716839481 1.7221232332127652 -1.8925470374268589

Nb -0.4474950906705781 2.8878285899360203 -1.6209279439452233

Nb -0.3225298199006574 2.9979662508937630 1.2985330329976377

Nb 1.3714455863225767 2.7307194008715654 3.6698627086703279

Nb 2.4376632574334458 1.6356831920026409 1.3410476970465992
Nb -4.2508906281878875 -1.1282513842596147 1.7002153336895804

Nb -0.1147958698744458 -4.3101442773308429 3.1392132047351167

Nb -2.0224517317547273 -1.6844763585430982 -2.9176139836442898

Nb 0.0585693197357600 0.7502509615740810 -5.8031653635520692

Nb -4.3429217563516413 -1.5240208348229076 -1.4499147154969312

Nb 0.6475188496244966 -1.5127185778709007 4.2335410333538048

Nb -2.1063864626428686 -1.0682504697319135 3.1612431885151731
Nb -2.8249517185988351 2.9204072564016514 -3.5176817136366170

451
Nb -4.7569713736972723 2.6753504329892559 -2.0448110427314550

Nb -2.7564604723066566 3.3886857631681577 -0.3494650523735512

Nb 0.1617001070304696 -1.6839730494446046 -4.8016702130117679

Nb 2.2555743132223567 -1.4579106685622578 -2.9504328035165255

Nb -4.4528701409271338 0.4377520563412221 -3.3846315617664509
Nb -4.1200946124663389 1.2443475828295341 3.2620631377669094

Nb -1.7906226907767855 1.6759753866238374 4.0382107565111918

Nb 0.5903644245042994 0.9826399088344503 5.2598585578228692

Nb -2.0255775824111000 -3.6669620481728726 -1.2046423972592444

Nb -2.1944258760555844 -3.4683706681578790 1.7516368797205022

Nb 2.9869221556215688 0.5262235082921284 4.1735243977165313

Nb -2.1891060474158763 0.5538168368429773 -4.5522793197199007
Nb -4.6662157319792419 3.0469493553017073 1.3818281316462149

Nb -4.2410711459230468 -3.3592038269202860 0.2300691340726622

Nb -2.6593287213367836 3.7306310180974354 2.6125536646332659

Nb -4.7495587624478999 0.8338443583147571 -0.1871562283327064

Nb 2.3658183774036834 -3.7999328388451699 -1.8795205628286507

Nb 0.2664218312387184 -3.7157335974731422 -3.1654082394101009

Nb 2.1084501106309697 -3.6174418047026444 3.0000069249305383
Nb 0.5596265693103106 -4.1873380796743289 0.3007593354341134

Nb 2.1742570886222188 0.7149530831987702 -4.5366178324283402

Pt28 Nb27 configuration: ∆E tot = 0.00 eV

Pt -1.0279223490021765 -3.9788875666262387 0.1868771354731825

Pt -2.3985508990951732 0.6702447016096599 -5.0108504010958503

Pt 1.3934902941721259 -4.0806084452685241 1.7920212538075035
Pt -3.7758781193769599 -1.7298075989508890 -2.7739739159295036

452
Pt -1.6008585839243563 -3.2965837824254063 4.9845534343563322

Pt -4.3457169983151465 -1.7143723407769906 2.1090582764682120

Pt -4.5399516383223979 3.2429031460921580 1.7816785072797778

Pt -0.1533277530038257 4.5332305530112169 2.8167389545640789

Pt 0.7726053288025113 -0.8727601466034743 -3.9593591289081642
Pt 4.8832635015092896 -0.9309326972375392 1.2739149444729354

Pt 4.8646410542503329 1.1788625326691859 -3.0599476937659800

Pt 4.3844485431479390 3.5863859036102825 -1.1907416706885021

Pt -5.3847650086535408 -1.0811288411810054 -0.2387667555124917

Pt -1.1288594531503795 0.0882446623083061 5.2181988507975667

Pt -3.4359437221420244 1.5220166891732325 3.7603738670622056

Pt 2.8207572239321008 -3.1909909046279594 -2.5849821927751364
Pt -3.9785123043052653 0.7706758391772047 -1.5284743894796380

Pt 2.5736383873274029 0.9591778396074874 -4.7496194176790585

Pt 5.0213424766702239 2.6073535941222143 1.5798721468154711

Pt -3.7333647419798082 -3.8011023980216896 0.4071917172368274

Pt 2.5250120636135902 -1.6508488560126628 2.5894698356357404

Pt 0.0821302917288487 3.3259828387099075 0.3169943243493343

Pt -2.9747644545781737 3.3174940496247576 -0.5931388052804270
Pt 1.6261170429497589 0.3722617178361295 4.4770024823593779

Pt 0.9986377155191043 3.9754783369473747 -4.2414759343629163

Pt 0.2234658860325832 -3.8652743893786887 -3.4415083109748776

Pt 5.0295344781395990 -1.6818460625994551 -1.3979756556206833

Pt 2.2593023911029251 3.0280091520931451 3.0955121171812339

Nb -1.5392974757950240 -1.9557006424057173 -4.3424996257855479

Nb 1.2661322032601803 -4.4979756769498689 -0.8294451714237452
Nb -1.5375854657029262 -0.1065925481143620 -2.4776586664522346

453
Nb -2.8845825387674098 2.4805923821850966 -3.1220478585997915

Nb -0.0903881119756613 1.5371841304431491 -4.3821033326279721

Nb -4.1578838403201637 0.8274319367327728 1.1820659348341436

Nb 0.1938080181443740 -1.8311201444181795 1.1823225214576576

Nb 0.8998449582147122 1.1802761323830850 -1.4273939847877370
Nb 2.4414649366994645 -0.2045119003372236 0.2333405500968962

Nb 4.7193810022834208 0.9936104559117126 -0.5060357191096578

Nb 2.6251531072909939 2.7265317045302009 0.4682804205189300

Nb 3.0390878974003139 -0.5620231345107746 -2.5124922550562587

Nb -1.6152865854528125 1.1484658234036809 -0.1237856705256090

Nb -1.9979759093481040 -3.4614042520509445 -2.1645220673723857

Nb -0.6290934681481209 3.1651142813322970 -2.2955703192239856
Nb 0.6259834033055623 1.0608813575851987 1.9677466012119873

Nb -1.7427197010500592 -0.1162206801055579 2.5771660946159014

Nb 3.5760039541660644 0.8314661835996530 2.7345189085790600

Nb 3.0412511364852306 -2.8414316386464806 0.0720277293647836

Nb -2.7759485293947064 -1.5243483039997821 -0.2365368121619599

Nb -2.1060550792491393 -3.0378316781176320 2.4830619943182923

Nb 0.1592816750188469 -1.7549437372477397 3.8742653793708506
Nb 2.5969412800061553 2.6272471218614815 -2.7828644169050945

Nb -2.0041137861526743 2.9854444545308061 2.0010763354371504

Nb -0.2255716914515086 2.3002492508381378 4.0438894728971349

Nb 0.3900004655505858 -2.0248123108184206 -1.5654758362257835

Nb -3.2478025080667048 -1.2487560944963345 4.3300262177684274

Pt28 Nb27 configuration: ∆E tot = 1.52 eV

Pt -4.7570743219479734 0.0622713895694469 -1.2924623223686926

454
Pt -2.7278325773283747 -4.2660706861006741 -0.4737281690112499

Pt 1.6950836171301302 -2.5950577177956982 -0.9449183078515415

Pt -5.1107510452382900 -0.0343829489360932 1.3931546661720853

Pt -2.8392460968392781 -2.3928100441328288 3.0219103738877817

Pt 0.5492936648715828 4.4754824273330822 -2.8101353249364167
Pt 4.5336628840623545 1.1588381716094602 -2.7765630462660651

Pt -1.9571009317142993 3.8155275012932188 -1.2503478488532047

Pt 0.5448519062352651 -5.0111969837395707 2.8214421449643750

Pt 3.3069465455082763 -0.8086774386180187 0.4667806164756726

Pt 3.2999847764841941 -1.2472304368459364 -2.5533816029059819

Pt -3.8286614130088190 2.2539767489091336 2.8384754812469981

Pt 2.3069348869951165 -3.1812863272251866 4.2633212550432473
Pt -1.6066537237573104 -0.1274356523769069 4.5303657634720542

Pt 4.6196440538218555 1.2955126586221404 2.8449374193705319

Pt 3.5316201038537445 3.9900598274330168 1.2018421807256185

Pt 3.9195595984194709 3.5990527783426201 -1.5180690572789461

Pt 0.9795852619164446 1.7198860885008176 4.4842023413540320

Pt 0.7729740224672766 3.9146401911652129 2.2054382951189830

Pt 0.1077580422522845 1.4901559185932078 -4.8198660705528678
Pt -2.2246905219909849 4.0541927618737104 1.4738817077982391

Pt -1.4207100078202750 -2.9315845506137066 -4.4774496748332435

Pt 1.1673992920612812 -0.9045609942867410 5.1604720157677590

Pt 0.5491073570978428 -1.2958980623907062 -5.4576884837968231

Pt 2.6188950675233076 0.3464541199259188 -4.6505177443908883

Pt -3.4382293648816962 -2.0824056920354135 -2.6507370300963502

Pt 0.0706459498244085 -4.9111243850393471 -2.5947916695205713
Pt -3.1008687327885815 1.5878244256696170 -2.9330655397614787

455
Nb 4.4844345722795724 1.6488986197078748 0.2007017834013775

Nb 1.7230253607276806 -2.7833168110031430 1.7583635614939581

Nb 2.1403665541761612 1.5542639254988000 1.5950791278558909

Nb -0.3399311973659216 -2.6523929609183625 3.8289992804608164

Nb 0.6716995619432559 -0.5282674051784184 -2.8786677146271686
Nb -1.2391275263029204 2.3098075186379390 3.1777321816822433

Nb -2.0945523875535454 -0.1753641217032858 -1.1225521626898951

Nb -1.7041097034942154 -0.3775609491628913 -4.0864054846115518

Nb -0.9242537098951303 -2.4489002226615249 0.9303124868508199

Nb -4.1091987056563664 -0.1502737686463913 3.7485799944466041

Nb -1.5092712601662217 3.2998707484289596 -3.9852083327956791

Nb 0.3215719427592842 -4.6303070992547202 0.1199696353991959
Nb 2.3533438695427265 1.1718004027694082 -1.2893022594709218

Nb -1.8664911184854842 -4.6349094751190396 1.9576892642733130

Nb -0.6712212987968161 2.1389950165264007 0.5659603358206780

Nb 0.4100202745053154 -0.2656981299974506 2.7396019738926847

Nb 0.5180159531288587 -0.4409249581579546 -0.0032390081316301

Nb -2.3324796358105084 0.0885514159099840 1.7853421380686363

Nb 1.4973272573056529 3.7043357609594070 -0.4710588163443359
Nb -1.0475839694783911 -2.7079127549902982 -1.9384038918444495

Nb -3.6389776527492441 -1.9006567511386043 0.2153067268069830

Nb 3.0463457097188975 -0.8170455058283927 3.1416806905304022

Nb 1.4233261099111145 -2.9154746956831721 -3.6075378580119741

Nb 2.2869136025955621 2.5924689919794508 -3.4493002065327740

Nb -0.3828731255152216 1.9081025765023856 -2.1288964159105186

Nb 2.9086692774155085 3.1075069385776395 3.5731718611682197
Nb -3.4871170479485487 1.9302506052416160 0.1195787398460135

456
 Pt28 Nb27 configuration: ∆E tot = 3.08 eV
Pt -4.6350697802013405 -1.2528854925551369 1.8485726460647489

Pt -0.5556402239646580 0.1159448657177404 -5.6784910446600350

Pt -4.3668605721794114 -2.1960623853878012 -1.8194727984517105
Pt -0.3078619149747502 -1.1953431254427562 4.7687151622890545

Pt -2.2610356260709947 3.3960029989072589 -2.8937015424599895

Pt -2.5176593767906428 3.2416261687120751 0.0262597381165828

Pt 0.0631264348018938 -2.1870017475773720 -4.4532024171375433

Pt 4.2605327264861046 0.6252742290645765 -3.7292144191642786

Pt 5.0758463263800779 -0.3062384350774495 0.1051292059416645

Pt -4.1491831844635518 0.1538492611590147 -3.1362471809363135
Pt 2.1581722168376904 -1.3955900408881352 3.6859031393596604

Pt -0.0303022914867116 2.7739553481868633 -4.4014997829865807

Pt 0.0676649384685576 2.8675268709873398 -1.5365510943851020

Pt -2.1762742409509030 0.7756327735890138 4.7770894825158976

Pt 2.3840651838594487 2.6413485035723987 -0.0802466281189195

Pt 0.0181120872295408 3.0818593546278592 1.2268083917951846

Pt 0.2419785961181608 1.6574120169686066 5.8661189681583972
Pt 4.3644609960313927 -1.8896793289807128 -2.0381304587155573

Pt 4.6859423607728345 2.3310977714154992 3.5104526197539965

Pt -1.8969106453406877 -3.6668265933661495 1.8535709955129005

Pt 4.2625401686869253 -1.9443062188181612 2.1112366675534386

Pt 4.6416418983062480 2.3979590255164780 -1.6305451086123683

Pt -4.2043613375861772 -3.6510225622342851 0.6333473983529145

Pt -2.1716084007673189 2.8272276643737011 2.8650131145850168
Pt -4.4546419691617336 0.2469792555545065 -0.3320126373416176

457
Pt 2.1985681798356294 -3.4878171541449108 -2.1244268961964683

Pt -0.3588489256185624 -4.2046563932398202 -2.6162575753323538

Pt 2.0364837312141684 0.9587801649882761 -5.2190827118166538

Nb 2.8841060597215420 0.2515592346459465 -1.4103118059073514

Nb 0.1899434642183192 -3.5055469760844078 3.4249723349101799
Nb -2.0531867604551093 -1.5835694499202615 -3.0029902235589483

Nb 2.9069192413280827 0.2948479538005779 1.7904342366166774

Nb -2.3868990667789647 -1.6649935888157110 -0.0187705258961667

Nb 0.3353216680564590 0.4013603671075436 -3.1711590727452958

Nb -2.3305900440360880 -1.2145328734508152 3.0331509300769484

Nb 0.5276550832402475 0.6674794771068697 0.1029219105505102

Nb -4.3040125139379022 2.4298388599244767 -1.7138709640972076
Nb 0.0144756020612401 0.9412200740082692 3.1823326703394592

Nb 2.4063647549146872 -1.2464656812512975 -3.6749646561094944

Nb 0.2246394959825916 -1.7799567747648084 -1.5165918823499818

Nb 2.5618020117160913 -2.0852050756621558 0.0729710251569809

Nb 0.2177900218269516 -1.5232094761308088 1.7301837467853864

Nb -4.2767151058109230 1.0062445215227140 3.1516325953913920

Nb 2.3195555941377304 2.3371206377749152 -3.0028166404248320
Nb -2.4507922873164638 -3.8991132563045188 -1.2823977444987149

Nb 2.3667230609755516 1.2319482760756912 4.4768370585114186

Nb -2.2825199772178557 1.3091235603912257 -4.3757790477155636

Nb -4.6969091039066457 2.2715012743598542 1.2273573687034638

Nb -1.9455230769428988 1.0290889645105963 -1.6191745485825557

Nb -2.0891113748928110 0.7722212129611463 1.2046780405389221

Nb 0.1579881969392349 3.4087613765586817 4.0399675449998016
Nb 2.3406224018269186 3.0275638750039775 2.6218624193493754

458
Nb 2.2013006789257807 -3.7512835610544686 2.0231551048172975

Nb 0.0555398059002331 -3.8663550051212789 0.1804464234607111

Nb 4.7326348140527665 2.0253052571795305 0.9367884679936238

Pt28 Nb27 configuration: ∆E tot = 4.00 eV

Pt -0.7274986266808523 -4.0218548280664512 -0.5446705137804947

Pt 4.2234464620727969 -0.9194585301288749 -3.9537578052305600

Pt -0.5551170884940033 4.5422663838635549 -2.7045501961940519

Pt -4.7759364278160836 -1.9353663286610494 -0.5459813015089591

Pt -2.3217880854821202 2.3230262781912483 4.3093443892840586

Pt -4.3175372426634775 1.8725790261386448 -1.7990650431689574

Pt 3.8432916812399864 1.4009951871978570 2.2842443059373947
Pt 1.0645960791939575 -2.1977228240822098 4.4214177455001114

Pt 1.8740876187009123 3.8785410604892534 -1.3366570157780502

Pt 1.9118677327060933 0.5633611106195959 4.6303662810399544

Pt -3.2752600457298837 -0.6389738591611398 4.8869923997649094

Pt 5.2312231619244596 0.1310096328753255 -1.4328398180933601

Pt -0.1807597407274954 4.4156810700333446 2.1992981771620643

Pt -0.8623913376634285 -0.6540200852381310 -2.1674918403807610
Pt -3.1081745792252140 0.7473874772046878 -4.5192519635492578

Pt -0.4947316451978411 -1.4581255260833597 2.2705194068631105

Pt -2.0251813809703845 1.1413764101244446 -0.4610229427198270

Pt 0.1646442299839193 0.9257632971981851 1.1389883287023423

Pt 3.4897017371306549 -2.5196491262466294 0.9367061576922772

Pt 0.8059787451902141 -1.9825622573933119 -5.1074160240880664

Pt 2.0653227560216281 -4.1102559645420653 -0.9587410455702733
Pt -1.5116732362844072 -3.9574765661315010 2.1165548519845538

459
Pt 3.2934925527473515 1.7045112341400837 -2.7383238628009527

Pt 1.1562583131183770 -3.6167256188689425 1.7355834729694688

Pt -3.6380863800957157 -2.0380803920996002 2.3230596668014454

Pt 4.3441491399672483 -1.0260763058371747 3.5276392966469188

Pt -2.8574857464512591 4.1554022533756179 -1.0287921402488238
Pt 2.3761889528517011 3.2085178641118133 3.7891997496077545

Nb -0.3742204334917920 0.5826752891510842 -4.5737671377287272

Nb -3.5470964197569734 -0.5458496683746892 -2.3047607932781435

Nb 5.0326285199462273 -0.5097835143339455 1.0631932077489459

Nb 0.9936615262780828 2.6134341087832995 -3.8681929213553912

Nb 0.4331882003964159 -2.9692203191787949 -2.6899840110960538

Nb -1.8085112820450395 2.3204774278566367 -2.8282075579388777
Nb 2.7870251794934995 0.2896338126472580 -0.1740467592101625

Nb -1.8452999772590517 -1.7834569775367084 -4.3930309600338999

Nb -4.2661510311012565 0.4430322256903717 0.7494623234695633

Nb 0.6794011569638325 1.4613492283789233 -1.5133791073331011

Nb -1.6764977261076979 -2.5557414376643428 4.3506676092690251

Nb 1.9817427186872882 2.9382403371732337 1.2672453158555275

Nb -4.7918065425622629 3.0824905394922064 0.4404598795038565
Nb -2.5982559994730789 -3.0588313809490715 -2.4222085733962277

Nb 3.9969875088357254 2.5706408959999938 -0.3021485853853348

Nb -2.4172424156292842 0.3163787080840904 2.5935624686643521

Nb -0.6585431141461706 -0.2129969083506797 4.7159812725987909

Nb -2.0061171974026375 -1.5885456597777841 0.1208651304699063

Nb 2.9051218946510073 -3.1650632649275643 -3.9270923358212606

Nb 1.7576444021224211 -0.4031535462001094 -3.1888261340025537
Nb -3.2710922867679026 -3.8612709693527045 0.2515035815250538

460
Nb 2.0762605645426855 -0.7555219775299811 2.3848185936461812

Nb -0.5299506645131342 3.6142375049498945 -0.2054122617704618

Nb -2.6051434265795197 2.9129606116359557 1.6596284375269346

Nb 0.0933100690911166 2.1252778480749663 3.4439025425301351

Nb 3.4893603830921633 -2.0047219310413351 -1.6992657039137389
Nb 0.9769687933682039 -1.7907410557234156 -0.2223202373883028

Pt28 Nb27 configuration: ∆E tot = 4.72 eV

Pt -0.0755891082639669 -0.3431200777878516 -0.5057026010832710

Pt 2.4992199211127728 2.4710240162025858 -0.6536968868226256

Pt -1.5795008014646292 1.9392316347276757 -0.5086843964047687

Pt 0.7477530096360679 -2.9933559918795121 -0.6780774255987065
Pt -1.9483936686432597 -2.6574920557579196 -0.0848284504352063

Pt 2.0488675638387086 -0.2021497855309841 1.2797448445229189

Pt -1.8624134096773028 0.0117169627964498 1.4223418775017878

Pt -5.0933985267222548 0.3014026451680114 -2.9021375446262532

Pt 0.1676289688898645 3.6286790211211533 3.5301610771821070

Pt -0.0950348843658481 -0.9118375033919075 4.7483956207652573

Pt 0.9755931401582932 -2.7443167156732020 -4.6865964326541345
Pt -3.8410882182821204 4.4759131813546471 0.2085531280251567

Pt 4.0348660031235148 -4.5056957018250747 -1.1338058296553977

Pt 4.4404390306893990 -2.5550590199196987 2.6166020988606360

Pt 4.6316065666031756 -0.3172955153031523 -3.3616883611462796

Pt -5.2755006387230825 -1.7645587568675087 -1.1391623697509250

Pt -4.9035257739264360 -0.0388235481631336 2.9460417452716179

Pt -0.9480053500902191 -4.0210585951895803 -2.7242341733478774
Pt 4.6615127742940778 -0.5389662296378468 0.5307963151684174

461
Pt -0.5653649985231176 0.4612211354395834 -4.5533828882437053

Pt 2.9045341621665965 1.8809984969579143 -3.2556707659117978

Pt 2.9942754960028428 3.3813720839001200 3.8733359703486552

Pt 1.6770835805909206 1.0257742696921375 3.8815750569153002

Pt 0.2332202606122154 3.9816729457890090 -0.3760571789523123
Pt -0.8512061731225543 3.6527716868010387 -3.9429792931121237

Pt 1.8710121746145252 -4.1995917631340483 2.7966472195252470

Pt -2.3958805010620718 -3.1920490891261313 2.6479060857024734

Pt -2.0208994811499519 1.9364628607254752 3.3141743058976050

Nb -2.6436636637266346 1.7516918887590909 -3.2221943126227077

Nb -0.4330944049235942 1.5780230321956474 5.1799354135678124

Nb -0.2384121628866164 -3.3650538012562312 4.1426141958737954
Nb -2.4688697556875683 -0.7958292122829680 3.6979258986268877

Nb 2.5335724732205946 -0.5645653830624697 -1.4384435772501030

Nb -3.0531775765044129 -0.2100325255506940 -1.1335477403260288

Nb 1.3792075184625614 3.9462884033155134 -2.6360364903790527

Nb -0.2159907797647106 -4.4216482522613640 1.2510410546600530

Nb 2.0038000167778267 4.0036692503570368 1.5964030992016969

Nb 2.4074297124003148 -3.0874452995192372 -2.6139953009815633
Nb 4.7952523956715911 -2.0955676621605170 -1.5151612276194177

Nb 2.9508542970531986 -2.8400799772648457 0.6118313841449139

Nb -3.1585333323465434 -2.7237369760357355 -2.3749116763844089

Nb -4.0523496405219817 -1.6296429497442375 1.1089409170698772

Nb -2.0305113606486014 4.1605955060372626 -1.7101968346015768

Nb -1.6865124328703529 3.8646635934155986 1.4939354489078365

Nb -2.9685946293552643 -0.7646021391314890 -3.9653685878040075
Nb 0.3443650486717412 1.8448921687328956 1.5567558139186517

462
Nb 0.3179105931544129 1.5707457191056828 -2.3666423053232726

Nb 0.0079961056397885 -1.9526676599654804 1.9500089552335307

Nb -0.4180034726289378 -1.5472969115227309 -2.7901226207569567

Nb 1.9674156755184005 -0.4542573746028187 -4.1235994535344327

Nb -3.8522355620732505 1.7478592974083154 1.2749068796957321
Nb -4.2842771093717467 2.3057124929293349 -1.2871784052693716

Nb 2.2439506069713424 -1.6037280248029986 3.4609588357664229

Nb 4.6586230419493759 1.2597508647578060 -1.2630855405388057

Nb 3.4620372795029084 1.8593913406613851 1.8256554287826992

Pt28 Nb27 configuration: ∆E tot = 5.72 eV

Pt -0.6726935456494724 0.4615951729907110 0.2910573316528812
Pt 1.6404712671409538 1.2083971129967894 1.6846186801976781

Pt 1.7957677878796565 0.8114380177783306 -0.9755865193390881

Pt -0.2609064657298162 -1.0752538508652130 2.4771303608441246

Pt 0.1747763041299754 -1.0985070131359453 -2.0087017088430001

Pt -0.1334394913193447 3.0565474111528452 -0.0719643786038167

Pt -2.3055433261164295 3.5390892675846799 -2.0873090470888918

Pt 1.4213262099599537 -1.6862604491285280 0.3728036579169753
Pt -3.9230124353357598 -1.3582444117402597 0.5538308986953194

Pt 4.0530371858245227 -0.7608366389316831 0.3186006946573351

Pt 4.5381543180553079 -3.3371879533188520 -1.1829018051059959

Pt -2.7116056164399009 0.5043324196575704 2.3238291099385808

Pt -2.3764959674660022 -0.3185159545351697 -1.5989846609896521

Pt -4.0429482328725843 -0.3633584415140768 -4.8273952607812776

Pt -0.3039687329370001 2.4642629437355583 4.9470394478622772
Pt 2.0586382397086003 -3.6234282797974156 3.6563779174033386

463
Pt 0.2418644487608731 -2.3760486657771973 -5.1685732567170337

Pt -2.9711236030417196 3.4625837713729779 1.9901958032907645

Pt -0.7511306157938539 -4.7188886894148965 -0.5877811885865999

Pt -2.2638004314649085 -2.2467379934041198 5.3319672395229887

Pt -2.5404126510694671 -3.1316267735016940 -2.2495660316946831
Pt 4.6225018130616498 3.1861678084644609 0.3188790726872361

Pt -2.0754481517036383 -4.5397323812598351 2.0428252197262369

Pt -1.3427737341813619 1.1414142630208590 -4.7981973799050373

Pt 3.7435592378047331 0.0191506696687306 -3.7981582985690530

Pt 0.3080736795839826 4.3052517181190320 -2.6173060411487019

Pt -0.1285748677113693 4.8406289846862345 2.2757903371401724

Pt 4.1092152483940181 0.2935514100937357 4.2330387971269205
Nb -1.8387854599760318 5.0247819745375457 0.1259666881155098

Nb -1.3472573724358552 -2.2508932441100797 0.1720199608067476

Nb 1.0131613226760410 0.0604630379936472 -4.1864433453168264

Nb 0.4516274625401213 -3.8082740565648447 1.6865838782276332

Nb 2.2269144637039497 2.3081432611589925 -3.4009944543454580

Nb 0.4677237401347875 5.6490796945095951 -0.2943131671416919

Nb -3.4745634594019141 -3.7908471320820758 0.0533860319418768
Nb 4.1607492425503274 1.2117003607871220 1.8451731403114837

Nb 4.2457907280621461 1.2698592172424819 -1.5328100471391517

Nb -5.0397874843899322 0.6476990875324041 -0.9884131457069208

Nb 1.4812815327564461 0.6943081662511504 4.2987576364338853

Nb 0.1519811730465836 -3.4464920592868933 -2.7334527753725126

Nb 1.9899578260149495 -4.1504006833720739 -0.8125459617845011

Nb 3.3316944911027107 -3.3520506387481617 1.1626149158437125
Nb -4.5923407849276794 -1.2833207977119003 -2.4528161516512745

464
Nb -2.6541802206669112 -2.1341148757702890 2.7866480933319844

Nb -0.4055410709315355 1.6319710904531579 -2.3702971569464566

Nb -0.7298955339566139 2.2649002086997068 2.4421422549769360

Nb -1.7547667064238708 -1.3112171980755805 -4.0410776052707673

Nb 2.8336065378026887 -1.6253406022407777 -1.9615446297698158
Nb -2.8929937478803818 1.9151207412578262 -0.0695838764027804

Nb -3.6310368275068483 1.5252999423524232 -3.0590798147908211

Nb 0.3619697559891774 -1.7689238742515165 4.8697665398054166

Nb 2.5982524203248851 -1.2618556209771299 2.8125817308108392

Nb -1.3575494336649265 0.0725748960079264 4.7054480483741976

Nb 2.4073453499653805 3.4892060852969551 -1.2236824032734464

Nb 2.0931341840207054 3.7588395441127611 1.3204066246422097

Pt28 Nb27 configuration: ∆E tot = 7.03 eV

Pt 3.9425986049754513 1.6716644403242977 -3.3469389592520362

Pt -5.3541010374141313 0.0000000000000028 -2.1368063435841376

Pt 1.4856139957781269 1.3824210228988845 -4.3849680108640090

Pt 1.4856139957781269 -1.3824210228988814 -4.3849680108640090

Pt 3.0462218199935132 4.4469233594415849 0.1002304063400826
Pt -3.1457479540970992 4.5675832641889418 0.1978312702544161

Pt -3.1457479540970992 -4.5675832641892535 0.1978312702544161

Pt -4.2423377435072185 0.0000000000000028 3.2237363502947161

Pt -0.1823215606960477 4.6501123897546917 -0.3056427994828654

Pt -0.1823215606960477 -4.6501123897546908 -0.3056427994828654

Pt -4.7647977138192656 0.0000000000000028 0.4953507353781002

Pt -0.9364528353189038 0.0000000000000028 -4.8435272820166455
Pt -1.3589688111473510 -3.9129133709996355 2.1682252970043323

465
Pt 0.9469657726336963 -3.6404129902114870 -2.6943774604819271

Pt -1.9365717385881123 -3.6915612153575719 -2.3502037656575046

Pt -4.1233144701389568 -2.3437358320476389 -1.1496133239661339

Pt -3.6941226426396652 -2.2984055606896967 1.6545926177202397

Pt 0.9469657726336963 3.6404129902114875 -2.6943774604819271
Pt -1.9365717385881123 3.6915612153575750 -2.3502037656575046

Pt -1.3589688111473510 3.9129133709996409 2.1682252970043323

Pt -3.0411699267919570 1.3956173222972739 -3.5874491786450027

Pt -3.0411699267919570 -1.3956173222972637 -3.5874491786450027

Pt 3.9425986049754513 -1.6716644403242924 -3.3469389592520362

Pt -3.6941226426396652 2.2984055606896998 1.6545926177202397

Pt -4.1233144701389568 2.3437358320476469 -1.1496133239661339
Pt -1.9157128467715197 -1.4920482286469317 3.7655017528106298

Pt -1.9157128467715197 1.4920482286469370 3.7655017528106298

Pt 3.0462218199935132 -4.4469233594417359 0.1002304063400826

Nb -0.2318749903181118 0.0000000000000028 -0.5280600959104738

Nb 0.2791690505413272 1.4923648941723648 2.0432288350071537

Nb -0.5593616298829981 1.6055085815407835 -2.8961488815683487

Nb 0.2791690505413272 -1.4923648941722081 2.0432288350071537
Nb -0.5593616298829981 -1.6055085815406169 -2.8961488815683487

Nb 1.3110844114585576 2.4457034475324697 -0.4647181723596962

Nb -1.6973074858167854 2.5131645594255523 -0.0799568162215629

Nb 1.3110844114585576 -2.4457034475324644 -0.4647181723596962

Nb -1.6973074858167854 -2.5131645594255372 -0.0799568162215629

Nb 2.4547477710715251 0.0000000000000028 0.8225374478393981

Nb 2.2033130078565222 0.0000000000000028 -2.2193801221112666
Nb -2.3621500897787313 0.0000000000000028 1.5666223449952716

466
Nb -2.9552252887758561 0.0000000000000028 -1.4532536631991975

Nb 0.0108644846426352 3.1574417134561488 4.2792915048966629

Nb 0.0108644846426352 -3.1574417134561359 4.2792915048966629

Nb 4.4919410049443913 0.0000000000000028 3.0223042227963632

Nb 5.5517015324974581 0.0000000000000028 -2.2203969146171043
Nb 5.0381155858044568 0.0000000000000028 0.3094919651134654

Nb 0.1905077349969955 0.0000000000000028 4.4483139508210501

Nb 1.2279266071260591 -4.0396144550580848 2.0327863622463869

Nb 3.9747538640507534 -2.2217123251825912 -0.9325847611866500

Nb 3.5142074144421613 -2.3505067407701206 1.8295938235162830

Nb 2.3734995718086442 -1.4907652068384762 3.8778539619897834

Nb 2.3734995718086442 1.4907652068384794 3.8778539619897834
Nb 3.9747538640507534 2.2217123251825965 -0.9325847611866500

Nb 3.5142074144421613 2.3505067407701237 1.8295938235162830

Nb 1.2279266071260591 4.0396144550581008 2.0327863622463869

Pt28 Nb27 configuration: ∆E tot = 10.09 eV

Pt -4.1599332635310891 -1.8028480975926044 1.9124981026740033

Pt 0.2755405914936734 0.8165855376723278 -5.9897163636502420
Pt -4.2170958254766457 -2.0809984489916680 -1.5742360683546428

Pt -2.6437721501413565 2.5869419766949946 -3.5263314829077066

Pt -4.5929274746416997 2.4239342643235062 -1.5263212529648422

Pt -2.5107641532701974 3.3215485945594057 -0.1731699992066389

Pt 4.6721068735527265 -0.4863561348315210 -2.9205377897936238

Pt 4.6696848900280834 -0.0321758095399473 -0.0468262151337590

Pt -4.1182429969759147 0.1492225835435269 -3.1368364027218378
Pt -0.2331332515200008 3.3591357447204047 -4.3271892347500094

467
Pt -3.9972751041850345 0.5733754565419932 3.2654921816638427

Pt 2.0665592769861414 2.8086720375421637 -2.9723942104959509

Pt -0.2863810431444532 3.1361082376562006 -1.6027834274192774

Pt -1.9052086525938998 0.7713378759700834 4.9420827860075427

Pt 2.1066571691395923 2.8698806738055094 -0.2067337736050585
Pt -0.2604433560639862 3.3089110861119684 1.1969922837972233

Pt 0.4376882115793109 1.5743136847999972 5.8361752244972127

Pt 4.7718315057456984 0.0012307648738762 2.8448003670925202

Pt 2.4960274654592998 0.7544210213181443 4.2892516606201943

Pt -2.0597564078411450 0.2178067664806470 -4.8873281987515798

Pt 4.4338030599064986 2.3386600688138115 -1.5571525652932308

Pt -4.5541055815126636 2.5237676396180162 1.3169584821243439
Pt -2.4889662670707624 2.9533047711240465 3.2675361138240167

Pt -4.4179298736026498 0.1739328090558901 -0.0144217668057762

Pt -0.0879681579584949 3.9123173458087059 3.8756879172220406

Pt 2.1336703678787137 3.1705119460626872 2.5328179363403249

Pt 4.4747141638641281 2.5116502873572113 1.1418950154891339

Pt 2.3868855988359599 0.1881932977038655 -4.4086180762700193

Nb 2.6462794961878169 0.5808597207651348 -1.7573378628891354
Nb 0.1119116392737022 -3.2445663166919250 3.4730453278032583

Nb -2.1704499719183894 -1.6340283747585274 -3.1300937265977797

Nb 2.6752793404090887 0.8108369164636339 1.6071526685759057

Nb -2.2391661935307114 -1.4532490036299530 0.1030432867813678

Nb 0.0142756721319635 1.0460695018174950 -3.3798185854362384

Nb 0.3895581162635132 -0.8492657190255964 4.8042713947083158

Nb -2.0687733552029020 -1.2224120518784731 3.3493962742088916
Nb 0.1914422791186177 0.9607585713790424 -0.0733774049480207

468
Nb 0.0633535893330731 1.4823843006411961 3.2252217597067450

Nb 0.2287626614189127 -1.4571259252682041 -4.6867248348426500

Nb 2.4992852808103194 -2.0985243132793618 -3.0559767120940364

Nb 0.0645905656443132 -1.4009396580096374 -1.5786959794237809

Nb 2.2620379963140929 -1.6571718426047950 0.0807932895181363
Nb 0.1271450681057596 -1.1799667177973394 1.7193560182825902

Nb 2.6261208178150457 -1.6757669900898942 3.2051553135594983

Nb -2.0985055804004511 -3.8838692345715931 -1.2687208988052658

Nb 4.5093770060259217 -2.4684664462214387 -1.1599733468253146

Nb -2.0504514903605440 -3.6691132063127530 1.7838128440069001

Nb 4.5961425527500115 -2.2531107471840519 1.4647016186458031

Nb -2.3392738540098970 1.0728092278705943 -1.5418088586372178
Nb -4.2412361745148122 -3.7874667220324056 0.3174853972045457

Nb -2.3027493428701900 1.2283035474794251 1.4312213704967029

Nb 2.0317642074270896 -4.0165300405994779 -1.4388130408805506

Nb -0.0409113100119257 -3.6640367023944354 -3.0981091903154203

Nb 2.0939295440287160 -3.8109682104762959 1.8278996046555682

Nb 0.0289958248220280 -3.7988295447936045 0.2253030303129799

Pt28 Nb27 configuration: ∆E tot = 12.33 eV

Pt -2.4628020733523726 -2.4633169070198644 -4.6990324265832246

Pt -2.9736846706839315 1.9053525792862300 -2.8366285777002416

Pt -0.4713100364266513 1.2946213100312123 -3.6429121125224437

Pt -3.1685237477403549 0.2878008115193194 -4.9157717566548644

Pt -4.0549747158175471 -0.0566445163459119 1.5246484093611592

Pt -4.6121398887560492 -1.2929973656790283 -3.1155829575460556
Pt 5.2693063439362930 0.0648094485803681 -0.3411489049054525

469
Pt 2.3897720489387853 3.7860853430910040 0.3063343119632290

Pt 4.3124624952041213 -0.7917846652899601 -2.8432594859053353

Pt -4.2320980903174155 2.5532753087834488 1.0350569375540346

Pt 0.5899543876032347 4.2241731007758334 2.1625959224344955

Pt -0.0425507833334180 -1.2242136298804229 -4.3649449765509880
Pt 3.7850458366553652 1.6860340293106020 -2.2053414285433872

Pt 4.8493555572164944 3.0413154839253416 -0.2141727596410747

Pt -0.8962605512618045 3.8100504866969551 -2.8884848060903705

Pt -2.6245566924812902 1.5404226224992190 3.3150237202876838

Pt 1.9640263079353200 -2.2518086215303161 -2.7983691100292392

Pt -4.8456321910639737 0.8749511549251501 -1.0577165509726989

Pt 2.0135738372111365 0.4092379757161238 -3.6561011756145536
Pt 5.1416084262956705 1.5151118234970642 1.9505613024942403

Pt 3.1658139062979100 4.2015804891740007 -2.2409869431769929

Pt -0.1416377554227805 4.2195006152076839 -0.3542791068504806

Pt -2.6883553981503487 3.6791597612352502 -0.9300397802484254

Pt -1.8355894214369624 3.4116448655990186 1.6393562858727873

Pt 1.4775627618248355 3.2252655163971897 -4.2817734909951257

Pt -0.0291414420817415 2.1414286298395711 3.6527530824774481
Pt -0.5943030219655840 -3.1829789536917734 -2.5845878648647380

Pt 2.6325476526273239 2.5445243656484124 2.8028480901216843

Nb 1.1268180459166162 -3.3947631128509026 -0.4852041636582275

Nb -1.1410054722921839 -4.8338062041863576 -0.5588654519032993

Nb -2.0822739067632043 -0.6552861879505445 -2.8638273740458651

Nb 1.3016978774724048 -1.4635398832257389 1.2939835159022952

Nb 1.1920420244746468 2.6499813755473656 -1.9046907220466356
Nb 2.9488063889167315 1.1464905529276357 0.3425915555763062

470
Nb 1.3796162025153804 -4.3818166201844093 2.1441286167497613

Nb -2.1612854100414460 -2.4609541731303710 4.5440757753287757

Nb -3.5278596699110838 -2.6216741376026582 2.1496908916490103

Nb -2.3562088903890808 1.2445113940963606 -0.2533154247303908

Nb -3.1592894197233994 -3.4206710948977137 -2.4043743914452467
Nb 4.2027232690342142 -0.9858836370442454 2.0503976700027646

Nb 0.1879765196322374 1.5947838825438616 0.8974314484961828

Nb -1.3370577179137522 -0.5656887943427178 2.2566486431038211

Nb 4.0119205591025207 0.8533388134821864 4.0807451939108228

Nb 3.4447297215405790 -3.6533122370121700 1.2276302196009690

Nb -4.1743521078515364 -1.5478155197980115 -0.6078871258578632

Nb -1.0872225042710255 0.0263452101672453 4.8553544995797235
Nb -1.4610130804686472 -1.8198751181344324 -0.2972268516519813

Nb -3.4385947553952465 -4.2106650936405527 0.0765070572594476

Nb 2.9177632822982105 -2.4291547006437146 3.6657593356675662

Nb -1.0603471331241998 -3.4959054539071035 1.9012555551508625

Nb 0.4094185102178052 -2.3353413440972415 4.0566778729396109

Nb 1.6059549491846288 0.1515121195591245 3.3186109642675072

Nb 3.3748017444603913 -1.6785440968482825 -0.6850511627950336
Nb 0.7508115907002075 -0.2341613936358626 -1.3923061672562442

Nb -3.7860396987760305 -0.6307056074924680 4.1732161730342954

Pt28 Nb27 configuration: ∆E tot = 24.03 eV

Pt 1.4800628203469233 -4.6566131741008041 -0.6775691236745514

Pt 0.7245920881062219 -1.4160021472070756 2.0813595382971233

Pt 0.6653410607350639 0.4599118408497683 -1.6528026915252521
Pt 2.2226583721043798 0.3626344723892819 0.6158322169519963

471
Pt 0.7727219534120519 -4.2553272289279862 2.1379705731577414

Pt 4.4525262869773838 0.7507951511490337 -0.8989476481803262

Pt 2.0966597103340088 3.7456311339587804 1.1633427838788970

Pt 4.3198590200019824 -0.0277364248058322 -3.3696680180751835

Pt -2.1052508614111676 1.2043181683783994 -0.5749622790232294
Pt 4.4313400253709476 -1.0072600550400197 1.1832304047842048

Pt 2.8488834989409271 2.0988844741860890 -2.5698485410800900

Pt 4.0918750789305944 3.2769029806072583 -0.5367642856740045

Pt 0.1083664058659536 1.9371118105997871 0.6794400217589784

Pt 3.5088310597119148 0.0054354958670745 3.5511859880927066

Pt 3.7014871643536256 -3.5446332330351042 0.4261059554107918

Pt 2.0797017272040002 -1.3703904903084121 -3.1285002213914481
Pt 1.9819800492748689 0.7551635599261234 -4.7553764153268778

Pt 4.2187376372037706 1.7148349024050349 1.5899657811891865

Pt 3.0970398196396189 -2.6295444647890802 2.8251682414054633

Pt 1.7451412235388692 4.3028868359915089 -1.4307971922421454

Pt 1.5732266956471739 -0.4139840236651090 5.4501340640059297

Pt 1.0895091994208512 3.3493077770393196 -4.0826475604973833

Pt 4.2319772226279069 -1.8120305432591670 -1.4416005562703376
Pt 1.6796398929695353 -1.9860567832708216 -0.4150285721751425

Pt 2.7746849541431957 2.7580874338624115 3.6004882786096366

Pt -1.4769239026800574 -0.7990662895747856 -2.5784014751082793

Pt -1.7379901088649288 -0.0740885873895060 1.8427387049820751

Pt -1.0973550101179088 -2.0069772329653457 -0.1307569738978766

Nb -0.3307133135152436 2.8456269962302128 -1.9950048107906038

Nb 0.1623871355773524 -1.3506183528024960 -4.8343741536770422
Nb -1.8048375502107519 -2.9126770397078232 -4.3492086746819130

472
Nb -0.8951480175897130 -4.5612353227572280 0.1443746837701101

Nb -0.4666973935177501 1.1915087810002243 -4.1601271077410482

Nb -3.0371439132719957 1.5065916036835936 -3.0174770046536508

Nb -2.5446737060642808 -0.4088150709010566 -5.2009400475192757

Nb -4.0729163019967354 1.0954039631835704 1.4305005482401287
Nb -4.0258848874202631 -1.0997301456480741 -3.4206530504560533

Nb -3.1013311329559587 -2.0102885608138745 4.4907875619065836

Nb -4.0930476180629345 -1.6434585539657101 2.0351603219301100

Nb -4.6856350613833184 3.6615366970193595 0.2577490829781617

Nb -2.6986651443977139 -3.2896395514771859 -2.0370412007686944

Nb 0.1855841191550650 3.5644178300553775 2.9365428311951534

Nb -3.6080535106274794 -1.0548756096620853 -0.6458721392332316
Nb -0.8477172070304840 -0.5903927685372964 4.3879727946862461

Nb -1.5690528695880517 1.9819540576981427 3.8596608249741564

Nb -4.8624197887872951 1.6942844323976378 -1.1916782679764037

Nb -3.3437643073717926 -3.6712731662703533 0.5976241652888150

Nb -1.4552172440678743 -2.8005182510537194 2.4944179413792709

Nb 1.1914744364426313 -2.6086396945784731 4.2594996025238698

Nb -0.2929071662681911 4.5254422973600983 0.1906192706015992
Nb -2.8230260582549156 3.8136569135711267 -1.3368165893038890

Nb -2.2385090278262676 3.1493325339130962 1.3807218068923155

Nb 1.1472281766041224 0.9482663056871389 3.0476455454432605

Nb 0.2379750038876886 -3.0068921999456730 -2.3022639897499002

Nb -3.6066107352455670 0.3088365174506486 4.0748890563593170

Pt35 Nb20 configuration: ∆E tot = 0.00 eV

Pt 4.1289052607787049 1.3494185196226476 -1.3000840460489109

473
Pt -1.3471809700461528 -3.3127125233478480 -3.1934535514643891

Pt 2.0634586318872277 0.3116743281703144 0.6790671452443439

Pt -0.0497387717607715 -0.0211524403479118 -6.1489134783210515

Pt -2.8514385451659474 -3.1756076235907855 1.5620685339984255

Pt 1.5082617842743939 1.5354459019644531 -2.9966145589061193
Pt -0.0334234662758625 -1.4147432371053625 4.9162988628380022

Pt 0.1342430607229239 1.8289379528029930 -0.6443582497985171

Pt -0.1305095307532291 1.1690879886063261 2.0651802050908921

Pt -3.4804304385613416 3.4273605711223398 0.1803923403520263

Pt 2.0862750174661362 -3.0312193262822476 -3.9696930735004821

Pt 0.8702385997514461 -0.9577158587000199 -1.5011075831860290

Pt 4.9797440596915941 -1.2325184644961027 -0.5485607271103868
Pt 1.9539791043908543 -4.8171019120820588 0.2886706935973654

Pt 0.1300037809744488 -1.4551254762031149 1.0411905650365987

Pt -1.2317579116934063 4.0135656623262506 -3.8428996948205900

Pt 0.9725253332979953 5.0325548376997133 0.1748459001204286

Pt 3.5928913178203725 -3.4582919742116118 -1.6673017137095223

Pt -1.2851253565837049 -3.5947639627711467 3.8139035421408471

Pt -1.4375000876706132 0.1320430207392650 -2.3819759293624423
Pt -4.1900580529744920 -3.3275659805462183 -1.5092835130208635

Pt -3.0037788320961449 4.0333433616375274 2.7437491797713256

Pt -1.9945171515749245 0.2869704067544085 0.3180506093490270

Pt -5.5316197138348562 0.8725766861803852 0.9259650850678843

Pt 1.4999855334248746 3.2672510919538427 2.9115095012495238

Pt 2.2726397194845167 -3.5203259628991432 2.8536262357553093

Pt 4.2759713065855900 3.0382474152592538 2.0848778736663269
Pt 2.4296860487314813 -0.2667739769062579 -4.7408041769130476

474
Pt -3.2532997520094251 1.5948604975635328 -3.8778914325499749

Pt 4.3465380312157018 -1.5196282883929726 2.5980399851417935

Pt -4.2201440817382823 -0.8217210165873965 2.8987875540960721

Pt -2.3745433538994685 0.8902524766811315 4.4164318313027833

Pt 3.1110017791696105 1.1329409358113787 3.7959015474727500
Pt 3.2283340521921797 3.8317186623430288 -1.8451894374625106

Pt -1.0448552100792903 -4.8031505572288822 -0.5179483493640641

Nb 1.8026991562191348 -0.9534078417166043 3.1537188561281773

Nb -3.5347665822147429 -1.1964080126932615 -2.7848252815492196

Nb 0.1390234897606753 -1.4021323177496683 -4.0038014441199890

Nb 0.7340411532951101 3.8482982822757821 -2.1735591076864886

Nb 0.5370418709095457 1.1500571319774668 4.5128576495831352
Nb -3.3363113147093340 1.5002997289250051 2.0883012280404762

Nb -0.8972948540203582 3.1590518683966495 3.9286386989687805

Nb -4.2209257655449042 -1.3604586115942467 0.1614650696786507

Nb -1.6670872289629692 -1.1716308411005016 2.8980536444219900

Nb -2.1257515382189633 2.6968749860178223 -1.7859634864232583

Nb -4.0670832436978364 0.9349527701705302 -1.2537929148996363

Nb 3.1716225718960094 -0.9550907311090313 -2.4424618679745174
Nb 2.4683871337689713 2.9470820650806262 0.3588702019323998

Nb -0.8929499784543815 3.5415951698701251 1.1558986763779564

Nb -1.8066002377291561 -2.2785342842737961 -0.7701027130944335

Nb 4.3895723361504375 0.6309970525245536 1.2496850732871772

Nb 2.9116110272410207 -2.3731427667590381 0.5673383929742760

Nb -0.5792432381844883 1.6019963993146622 -4.3944685398992531

Nb 0.9100920464049558 -3.5229693504639741 -1.6985428142485142
Nb -0.0608379990508603 -3.8155624326328095 1.6502130027494792

475
 Pt35 Nb20 configuration: ∆E tot = 1.44 eV
Pt -2.4310744638074131 2.4126033897611210 -2.4993085457732471

Pt 0.8461952218782455 -2.4949069671888360 -5.0878539117097628

Pt 3.9963729087112267 3.3984906989479944 -3.0559321965627921
Pt 4.6740342369431147 -0.1966432209015651 0.4098447712365323

Pt -1.8359550259197226 -1.8387040927724800 -5.4172144280806158

Pt -1.9106339204834724 -0.0916383221556571 -1.4297775906419310

Pt -2.4577825166573479 0.8969522683576895 -4.6295165670850498

Pt -4.1982465658005594 -0.1040058950451025 1.9128225938774595

Pt 1.1287987832865536 -0.3415325819046725 1.1920404300985137

Pt 0.3050410593640548 2.3383874132356661 -2.8692092859829961
Pt 0.2663470476044408 -5.2036532771011679 1.2774845597449009

Pt -0.7443540331393103 -3.2262132701103150 4.4411655036144415

Pt -4.4216954331305622 -2.8260297559266601 2.5042092245412855

Pt 2.7134200701075839 4.4119632455180025 1.1223294924797509

Pt -1.0271736727688148 1.4343573063034485 0.8168941904314906

Pt -4.5355616378150314 2.6088205015645087 1.9080209148988452

Pt -3.4083794324029011 -3.4351955596089025 -2.1115748517656208
Pt 4.5069234120382200 2.4846334102211012 -0.5017143572748970

Pt 1.3111451472673465 1.8197986978632454 -0.3889275807519165

Pt -1.4098808460812529 -0.8597161848756146 2.0040208071180343

Pt 3.2016025511423023 0.5524032857922593 4.0272549012885568

Pt 2.7826099810481697 -3.8494169817674306 1.3715942815379361

Pt -1.5628712238944105 0.4784503767680576 5.0769415258970216

Pt -0.6296947854150065 -2.1650859847483632 -0.1857094845095543
Pt 1.3055078199847037 -3.9453954508846980 -1.1761056123875058

476
Pt 2.4671378003580315 -0.2501513293676464 -4.7612963913854216

Pt -3.8029383450112881 -4.5515420949416541 0.3222431327968820

Pt 1.4957977112199372 -1.6160692444686455 4.5140558362746885

Pt 0.3573120355322689 5.4080551728047679 -0.2922631423466168

Pt -1.9958012199393136 3.8190830787974273 -0.2015197289014243
Pt -2.2165108153990847 4.2346920139054243 2.3862651378918640

Pt -0.5081931013160904 2.9960513074791146 4.1847351113397471

Pt 4.4374280971361459 -1.3523284560168125 -2.2717026531108502

Pt 0.8529811309431566 -0.4383593722808118 -1.7975344812854446

Pt 2.1069136032948355 2.9484628294289372 3.4364057985578667

Nb 2.7882663806644192 -1.8687814389081459 -0.2347008696905397

Nb -1.3515230364580955 -4.5380943088402734 -0.5839748221964851
Nb -0.1806241902106159 -0.1758883541178881 -4.1835352862908621

Nb -3.0780318975565244 -1.2091208306159877 -3.3005862736659619

Nb 2.1750682619340083 -2.3784409804648545 -2.9438495085258998

Nb 3.2803080232093640 -1.4184941113637428 2.3635386555611282

Nb -0.9214535642436251 4.4734863147646466 -2.3518479282151539

Nb -3.2503154963692018 -1.9362609288712622 0.1871218492691532

Nb -2.4262149312052186 1.7082499574498535 2.9458562336928402
Nb -3.4220150348849296 1.5911053059628879 -0.1499474878610995

Nb 3.0655621520799206 1.6215696229077083 1.4435968357416900

Nb 0.6335256760477305 -2.7112160859563579 2.2769241343352480

Nb 2.1452057268750275 3.9128372596577941 -1.3362847959988016

Nb 0.6265509161815285 0.6728703872597083 3.6024600842311041

Nb -2.6222239130826686 -1.6254251094117877 3.9308921510127757

Nb 3.1450181913831932 0.9036447509182940 -2.2086954210339034
Nb 0.2447464715619295 3.5708330680061624 1.6513595355489095

477
Nb 2.2370044426825189 2.2018650831930815 -4.3804775652240826

Nb -0.7948893248714589 -2.5781611662076163 -2.9485697562939350

Nb -1.9527864326160618 -3.6731953900439525 1.9895528315337079

Pt35 Nb20 configuration: ∆E tot = 2.01 eV

Pt -1.3460110169853476 2.7377904969312397 -4.3534868003758174

Pt 1.1578970355610840 -1.7938527572229248 -4.8293309428289390

Pt 3.6368803459321435 1.8177709491717040 -2.9508251160450119

Pt 2.1874150394046188 0.7918906421197882 -0.4046867664056121

Pt -2.2157812498309197 -2.0150632782498952 -3.9223081059512621

Pt -3.3465944311873401 -0.9432675634534122 -1.6132640218741605

Pt -3.0241402055838398 0.6489722801618740 -3.8242034956580602
Pt -4.1408367642618398 0.7519574482692135 2.6300033337344049

Pt 0.6057605736653757 -0.9617505938481365 1.2076255229570687

Pt 0.0942470215732547 1.8584399565498317 -1.7663483633059787

Pt 0.5120035569160999 -4.9823886469783503 1.3106315230701335

Pt -1.0313306678243808 -4.4744855228657130 3.9863584796188904

Pt -4.8617593613143884 -1.9894764440403130 3.0642011372497295

Pt 2.8595484700660525 4.8779668445126347 1.2177437165939786
Pt -1.6714821908485344 0.5207124250263953 -0.0861354569210751

Pt -4.1388127145838371 3.1850377984985383 -0.1189887811902527

Pt -1.9619915042034450 -4.8595134490017280 -3.2799633035306428

Pt 4.7345994632852628 3.1105376069058037 -0.4478417851679940

Pt 0.3476238210751740 1.8492519086256645 1.1724560662347066

Pt -1.4939300218777176 0.0605565194243220 2.8010065363230403

Pt 3.8258013515877560 0.7210649857216278 3.3100367375493933
Pt 2.9474342689952651 -3.5793856506527337 1.6984310875642918

478
Pt -0.1788823840979115 -1.3956297463584983 4.7931342040252005

Pt -1.3201012298427739 -2.2494378519553058 -0.2931916539939742

Pt 2.5162583870454953 -3.3999949740147648 -2.7435316231942330

Pt 1.8981774850282838 0.7780362358536428 -4.8005428309692242

Pt -4.5099623847746662 -3.6002944616168646 0.8006772085564678
Pt 2.5810046340112778 -1.6350965992881885 4.0725076656838599

Pt 0.7088300680190003 5.4729058549300404 -0.4230728256741382

Pt -1.7954214383462705 4.3675195164307938 -0.3061822057033562

Pt -1.9268351916762780 4.7804618434869157 2.4253188007562265

Pt -0.7326627561257033 2.5463400001500118 3.7216209527509623

Pt 4.0040974479492935 -2.0683487745464868 -0.7268549542805690

Pt 0.3929465964196117 -0.8011037000055132 -1.6450992761090946
Pt 2.0950883729547143 3.0942431810501589 3.7267231196351087

Nb 1.3804914440459628 -3.1246977658578108 -0.3988067989823544

Nb -0.9564585913129489 -4.8367606096160838 -0.8679113645069675

Nb -0.4699846584755317 0.1751495127897893 -3.8609351830757861

Nb -3.2282371607207136 -3.4851486269583103 -1.4503244262817867

Nb 2.6047760304648602 -0.7779222320101653 -2.7989457245946605

Nb 3.1601342009421929 -1.0306055555849778 1.5318745366634225
Nb -0.4508979470803781 4.3813161808514671 -2.5450796838819167

Nb -3.4326223941377640 -1.1495146499267237 1.0605287982201330

Nb -2.4382367708896262 2.3344919705138056 1.6174154886669969

Nb -2.5147142368773641 2.1900114185540054 -1.8297125734011261

Nb 3.1964412246319922 2.3459468459381374 1.5148930766076905

Nb 0.6480042448735546 -2.8618828194233839 2.8787375314379284

Nb 2.2072566543199095 3.4533318695530748 -1.0849186868194673
Nb 1.1051760182853645 0.5679619264190301 3.4526044721462554

479
Nb -2.4106660470102690 -2.2975809081397207 3.5138152586266482

Nb 4.5397466283868324 0.5375491564772237 -0.9148691769956491

Nb 0.4402866481562757 4.1658396099769366 1.8819096900485570

Nb 1.4130847725118842 3.1809935466228167 -3.6565596170109274

Nb -0.1030491251059975 -3.0427662594201119 -3.0104734847543719
Nb -2.0996093611328051 -3.9480790904803680 1.5641400847633213

Pt35 Nb20 configuration: ∆E tot = 3.94 eV

Pt 1.0759663370947026 0.2194477194801135 -1.0849611596786328

Pt 0.6837344588598240 1.7929242020863665 1.0569463207436547

Pt 2.9493774912341517 -0.3043918340939383 -4.3082979404872850

Pt 1.0782185536960680 -0.9048182891578916 1.5852837660064782
Pt 1.3961016975629215 -1.9119398557011393 -2.8851653096766281

Pt 1.9796322181145265 3.1419507488794651 -1.1494321004316586

Pt -0.8674133890717668 2.4454035894742918 -0.9965211479867888

Pt 2.5963306799557908 -3.9940783483020579 -1.4609220577390172

Pt -0.2801118425490712 -2.0882203691220735 -0.6926421188652994

Pt 3.0729066586461964 -1.4653107006739432 -0.3362243644869151

Pt 3.5461807963253800 0.9817236409356110 -2.0062610700300123
Pt -1.4733567567570232 0.2381587435509268 0.6790611627751504

Pt -1.6718454225161947 0.0684747436662157 -1.9775642445791330

Pt -0.4472301630541109 5.4235938395567542 1.1655965847761198

Pt 0.7886868899160975 -5.6835567137499838 0.0455696708028546

Pt -4.9053249027976111 -0.4281910306159956 -0.1994714804775183

Pt 5.6826878124929063 0.6032279919901510 -0.2037271935288400

Pt -1.0974991139331065 0.6439807174577777 -4.6548909107305354
Pt 1.0789448368238437 -0.1184015468890932 5.1544340953454446

480
Pt 0.0734072283165614 -4.5145228165192508 2.7135901521499139

Pt -2.7501667945914887 -4.4900088860590630 -1.6513413895048412

Pt 4.2580599243240256 -3.6303840774650422 0.9257425375806976

Pt 2.8071139121763973 -3.2754600666396709 3.3531522901699820

Pt -4.0518503731147835 -2.2588766111318006 1.7272197072028579
Pt -0.1999190532857353 3.6046277781327505 3.4578256398872842

Pt -1.9018930888006436 5.2941714438392138 -2.9656563008351693

Pt 0.1389880755367487 3.3745543377161753 -3.6210854525370930

Pt -3.5307099990459347 -2.3864277216206387 -3.3222469718616789

Pt -1.3874589563276301 -4.2000541846945270 -4.1035163444067342

Pt -4.2469568408201415 2.7009208339261321 1.3340374831762549

Pt -4.6382450448933046 2.1109564446967974 -1.2955622827615993
Pt -2.0520664396390584 -0.8728117649427715 4.1012230883028531

Pt 2.2216085002264729 1.8716667888024840 3.4243979751461868

Pt -2.6836651024764491 2.0439665545152352 3.6683053861677966

Pt 4.1290369652540786 3.4129812781402209 1.9256952254942608

Nb -1.4188607183268784 -2.1829213949010762 1.8260709260002645

Nb 0.0585195010933217 -4.1817943228216210 -1.9871232538086385

Nb -0.0759963193394624 4.7527865319974110 -1.2438633254671938
Nb -1.7474750085381414 3.1280558417245161 1.3928080762049238

Nb -2.4210195466793705 2.6362266272410113 -3.0580392704088748

Nb 3.0584895405033801 -0.6879183464752613 3.2197129772541988

Nb 3.2176428710167992 1.0633545079790145 0.9013706122195317

Nb -4.0208831628875803 0.0494110426999851 -2.6456813251923617

Nb -0.3552257785773163 0.9064900297543098 3.2980634652974690

Nb 1.1143092923669327 1.0252724787551113 -3.4379632071849411
Nb 0.4358278285205086 -2.2134029408102731 3.8408105722634165

481
Nb -0.9682380307883376 -1.7333838569271662 -3.6745635537986825

Nb 1.7020952967809153 3.9590282031700315 1.4943400308587034

Nb -3.0987216711173700 4.0606125376697646 -1.0099305609226885

Nb 1.7074511325295629 -3.4173852735171590 0.9465143385265919

Nb -1.4380101608515998 -4.4954472968533183 0.5065449346219795
Nb 4.8597846646035192 -1.1595104161682641 1.4907317941214533

Nb 4.4717491955875825 2.8640893314596654 -0.5556594997830813

Nb -3.4990307449232843 0.2572720581171507 1.9769868147731788

Nb -2.9536779338558246 -2.0761119215616373 -0.6837217906976518

Pt35 Nb20 configuration: ∆E tot = 5.12 eV

Pt -4.5903006409689509 -2.4236872250506534 2.1243422821629712
Pt -2.0335007669843916 -1.4974904504622346 -3.3824050878664420

Pt -0.1778572133915647 -0.4479841353128906 3.9132938169883462

Pt -2.4321874471928906 -1.7035798549183996 3.5259182743894857

Pt -2.3403236962266361 2.4365760403651566 -2.6374446632826047

Pt -2.0726296568662717 2.7427445683439831 0.0809858009508306

Pt 0.3754624878394251 -0.9666179580451457 -4.5458727964149519

Pt 2.3920400619108024 -2.0558740549630952 -3.2386689495204846
Pt 5.1806900474997066 -0.1394235503471010 -0.3244454297040105

Pt 4.4285726294225727 -1.9683283370949711 1.6418467010854587

Pt -4.1646434515968194 0.3141569124166095 -3.0975366066888310

Pt 2.1980097490008434 -1.7988038378793734 3.2866475564334539

Pt -0.5703578605280515 3.6128262275260883 -4.3733541647917322

Pt -4.5210771651054982 0.0963161045718861 3.2468282915138960

Pt 1.9464063142687249 3.0804729554449071 -3.3213680541526824
Pt -2.3003344343044203 1.1727158699431071 4.4915001542563884

482
Pt 2.1327191896334741 3.2916439792967682 -0.6129412742060621

Pt 0.0476688811009010 4.0931296571349547 1.0367897815328209

Pt -2.0217435900109448 -3.6031824742213954 -1.7049563995914210

Pt 4.1025646500271877 -2.5466622357423572 -1.1227243739522064

Pt 4.2650776120914005 1.9739143356773097 3.2891700563386226
Pt -2.3539088242416879 -4.2859731916757342 2.2412412997085513

Pt 2.2168533094771279 0.7308213854980634 4.2786738973714504

Pt -1.6850145369808334 0.8355198032579123 -4.7087991875809339

Pt 4.0407021011481961 1.8289251604536814 -2.0748640828466560

Pt -4.2143783760278835 2.3119947884743257 1.7683267123392201

Pt -4.2204080277699090 -3.9032568033824870 -0.1303815982201511

Pt -4.4435345329498430 -0.3055992938198644 0.5332316590683094
Pt 0.4219011744639798 4.1655282761494474 3.8611589353121789

Pt 1.6625642246335102 -4.0529361175079517 -1.6216027132208350

Pt 2.5104400458763196 3.5182043874425974 2.0576172955975554

Pt 1.8010396302873031 -4.4392848119967114 2.4616068120314369

Pt -0.2436134956404774 -4.0018757056458130 0.3477477547266978

Pt 4.3448564076874705 2.2235870463563887 0.5954025325071802

Pt 2.6303390575011720 0.4524325982731368 -4.0912399473808110
Nb 2.6072166443378082 -0.1476880177056729 -1.2448516087695478

Nb -0.2292479182232542 -2.9572018649903069 2.7567264365855100

Nb 3.1891312873754432 0.2254106598936003 1.6739134155693196

Nb 0.6830857176535088 1.6959134205468613 -5.4214136476897155

Nb -2.3465725615461421 -2.1780219671731769 0.7632234815657769

Nb -4.0618595696046951 -1.8409246973587985 -1.5443359109141679

Nb 0.2384575271535679 1.2339068194164211 -2.9257551974190332
Nb 0.2744314391286733 1.3987799862764971 -0.2669378455386036

483
Nb -4.2423972891191992 1.7805769484152476 -0.9248396091518428

Nb 0.6561290157325996 1.8410832338286012 2.4675635091440715

Nb 4.6697424245649843 -0.6054211193797956 -2.7939938807604361

Nb 0.0575484613069191 -1.8069285026211448 -1.4764432992989609

Nb 0.4279345492487861 -0.8252260368589761 1.1216335792388068
Nb -0.2011584901263065 3.7750739717151052 -1.6929315633376061

Nb 0.0664342141439929 2.0119567384655741 5.0564847001522990

Nb 2.1844414348066410 -2.7424940165312219 0.6119666219682388

Nb -2.1418468858346982 0.0902613671921584 -1.1361765389989640

Nb -1.8442416771080761 3.1242599930251802 2.7585366175004427

Nb -2.2133072891688697 0.5494256895196115 1.9073395907046691

Nb -0.0860148918047261 -3.3636926642359097 -3.4834331354442978

Pt35 Nb20 configuration: ∆E tot = 6.60 eV

Pt -4.8119519142405016 0.1664763000356177 -2.6981644874007280

Pt -0.3778753214154617 2.9802266013027765 4.5851562940925934

Pt 0.2694524276317839 2.9561254285994445 -4.6100525052579551

Pt -2.6814755599910742 -4.7793926244208533 0.1702851485606526

Pt 4.7643093311619635 -0.1458860985453064 2.7029739690614716
Pt 0.0290280331925347 4.6634841265886537 0.0188428098505188

Pt 0.1106498960666055 -4.6638390676179418 0.0368524474155533

Pt -4.6947363314701693 -0.0801834874138037 0.0768225290961738

Pt 4.6564403769515090 -0.0447239943918499 -0.1063084803401864

Pt 0.0079168515568829 -0.0428030146712882 -4.6609566329007306

Pt -0.0344157290117649 -0.0338943465026123 4.6566525560077920

Pt 1.4840810627633201 -3.7627516855416276 2.3514825516440223
Pt -1.3351360071250356 -3.7224243679531024 2.4221150025185842

484
Pt 1.4320537683555172 -3.7127807790269078 -2.3453430857652950

Pt -1.4100960621896190 -3.7644741687260530 -2.3599755327233947

Pt 3.7141657908982868 -2.3647956693221373 -1.5363325479574257

Pt 3.7599260810810118 -2.3960046721687087 1.3467048548284113

Pt -3.7139838733227344 -2.2983328919499248 -1.3923037244740064
Pt -3.7152211828011281 -2.3607767894328315 1.5407985213830739

Pt 1.5254138478582138 3.7786010386769839 -2.2137601616277256

Pt 1.4271483181824127 3.7960988983541557 2.2897984490839298

Pt -1.3519997486058482 3.8321282845393445 -2.2873818341787753

Pt -1.5194669504985296 3.8143420611387837 2.1916813738665120

Pt -2.2890089395536877 1.4368499271304345 -3.7022093158316483

Pt 2.4296192696154377 1.4176842415530604 -3.7218864430920111
Pt -2.3545769251379132 -1.4414638619389331 -3.7818870435637071

Pt 2.2885223367948546 -1.4644993492278460 -3.7350620633324114

Pt -3.7866107006301024 2.2971377152463979 1.3796359420274100

Pt -3.7363552303976051 2.4308255075325000 -1.4765578493351830

Pt -2.3003497112676494 -1.4423201704777011 3.7924457383226620

Pt 2.3168185347740713 -1.4734345865540022 3.7689885740673921

Pt 2.2737407397115472 1.4174799248835788 3.6968120022476922
Pt -2.4577008150374282 1.3526584527743757 3.7138157606943576

Pt 3.8059545193267632 2.3269356229427642 -1.4118898430096138

Pt 3.7750778649070598 2.3491243193009672 1.4057992250886442

Nb 0.0730305914348922 -2.7382584969203276 4.5090208237718397

Nb -0.1483763953539533 -2.7252256198881404 -4.4981471198437051

Nb 2.8177446099077459 4.4601062024207963 0.0603153205570529

Nb -2.7845005004391266 4.4896727247229968 -0.0988932831350680
Nb 2.7794499485879856 -4.5191665415984277 0.0250394206065902

485
Nb 4.5149138323180082 0.0312684467612102 -2.7876684928460804

Nb -4.5264259654976282 -0.0785155959256925 2.7253705588699373

Nb -0.0180414496298796 0.0084204481232712 0.0023501901757387

Nb -0.0107499701221850 1.5803746302287631 2.5500250700669236

Nb -0.0061337916966181 1.5671395732055473 -2.5564225045171418
Nb 0.0308104334890867 -1.4424031947155636 2.3880199501234443

Nb -0.0774901950339503 -1.4430189450151014 -2.3815340209339166

Nb 1.4823351039525374 2.3632941404534846 0.0357721666458601

Nb -1.4857718387771257 2.3836296861891704 -0.0391292561766633

Nb 1.4836677491433443 -2.4000253613276077 -0.0004286039082207

Nb -1.5766037303012994 -2.5504611373204322 -0.0104982701043349

Nb 2.5373921788055762 0.0088148216985983 1.5795802102792520
Nb 2.3994300837690679 0.0015484598359096 -1.4850681273759674

Nb -2.4051397618223276 -0.0268619747285002 1.4513677731209624

Nb -2.5788989808676734 0.0082709090836350 -1.5766640044431555

Pt35 Nb20 configuration: ∆E tot = 9.56 eV

Pt 0.1914054482610228 -2.6399413238409166 -4.7549810166103583

Pt 2.2936625361660252 4.8742340463666674 -0.4421819328952233
Pt 2.8582809743735855 -4.6698227892886610 0.0736865978190770

Pt 4.4600745318970070 -0.0074998597258270 -3.1172115550319286

Pt -4.4228917611825835 0.7274088457840276 -3.0189881266579301

Pt -0.3170674507231294 2.9375633177197513 4.5797220286990505

Pt -4.5716631179710419 0.2915202472291026 2.9482542515431338

Pt -2.6393111573063375 -4.7969103780890112 0.1820286287005223

Pt 4.5941533853248160 -0.3324384092962175 2.9724243407813451
Pt 0.0613877519200375 -4.7176266267242983 -0.0180341422783380

486
Pt -4.5792620388242398 0.0246829621317760 0.0230642690907251

Pt 4.5991652463137598 -0.0156907260114435 0.0205996123505236

Pt -0.0351628411313809 0.1089653493939847 -4.7250613685307030

Pt 0.0514153162463489 -0.0373067533108026 4.6573392943780760

Pt 1.4594662197520025 -3.8112041219279731 2.3451693065647565
Pt -1.4316022357057390 -3.8052870202911335 2.3979018045851443

Pt 1.4172178804839866 -3.7948024454668441 -2.2986293206026001

Pt -1.4135060821433141 -3.7336627407744500 -2.2902743721222261

Pt 3.7843406536875084 -2.3339936965384438 -1.3917596436675119

Pt 3.8049178260302488 -2.4036036427906153 1.4178176838615293

Pt -3.6366064303451107 -2.2119616736162171 -1.4134558756549460

Pt -3.7052860889477439 -2.3300259918532205 1.4184227168016559
Pt -1.4791348568749212 3.8759984271892036 2.2671051834496563

Pt 1.3768514467027730 3.7120013891860268 2.3068104288422671

Pt -3.8146515066786715 2.4275096186218303 1.3790520165351985

Pt 2.2943179306654122 1.5469660819495072 -3.8296945660686101

Pt -2.2590601766572997 -1.3905388657243107 -3.7321274723257711

Pt 2.3958924363564056 -1.5596994107268656 -3.7381228859721030

Pt -2.3207034513823852 -1.5093620628420310 3.7465099383452984
Pt 2.3087414658106531 -1.4858938814666245 3.8429668359772204

Pt 2.3111169292592568 1.3966661105439766 3.7262280172954267

Pt -2.3069017715997542 1.3152063903212234 3.8909017200645746

Pt 3.6938547191893183 2.2859775387337335 -1.4493437012289256

Pt 3.6156577542006265 2.2730639977687175 1.3686763514812845

Pt 0.0589917055847169 -2.9556300562943547 4.6120510884139758

Nb -1.3459395385711159 3.5181945288622853 -2.1562525691833936
Nb 1.5482937941719117 3.7555088080313976 -2.6500924628822271

487
Nb -2.9040668875461786 4.7056346923571803 -0.0209361842914001

Nb -0.0276241242323747 2.9435709974558235 -4.6732546469215066

Nb -2.1812365000043594 1.4506208313421389 -4.0850437158506594

Nb -3.9535421246526563 2.5281144607301074 -1.2222144991890638

Nb 0.0625857110311333 -0.1647406793286320 0.1078818893353605
Nb 0.0004281494620815 1.5170982671089075 2.5539544513381149

Nb 0.0646745128467053 1.3348458860745454 -2.3211496498052635

Nb 0.0196186317164691 -1.6107609387076578 2.5470890520032281

Nb 0.0251801730613297 -1.5841803592868913 -2.5021337022539138

Nb 1.4280174360373936 2.4355256620523860 -0.0397810935663608

Nb -1.4395735449441955 2.2571945170675050 0.1150026558859031

Nb 1.5764213259379576 -2.5648545475520037 0.0246506542611494
Nb -1.5342438803041458 -2.5691252942874327 0.0251845754019352

Nb 2.5379887473144698 -0.0521524598732425 1.5915744677785717

Nb 2.5285658649900005 -0.0378420176355844 -1.5413203636375095

Nb -2.5047303573997790 -0.0346764954166202 1.5909890065380956

Nb -2.3897574267123498 0.0769767786442835 -1.5039198949205137

Nb -0.2091611529541521 4.8401855160222320 0.2029058940261882

Pt35 Nb20 configuration: ∆E tot = 11.58 eV

Pt -4.6376077521922845 -1.4523971215650378 1.5482396883587723

Pt 0.1105999936287353 -4.0383791752323743 3.5868857988851186

Pt -2.1022165433725952 -1.2112949210787278 -2.2867741802872597

Pt 0.2893761367254500 0.2047417600774271 -5.6294712020268989

Pt -4.6715660781646626 -1.6444652099088686 -1.2430653194982919

Pt -0.2835571480432472 -1.5844623846609907 4.5678271152283472
Pt -2.0451426484911543 -0.9072307178333531 2.4605718027822361

488
Pt -2.0726286591516221 3.4873506482036438 -3.0065158154000566

Pt -4.4672111112734179 2.9071693331584658 -1.5008372892751463

Pt -2.0448568546510622 3.6351126735455228 -0.2081648427453540

Pt -0.3655242877871424 -2.1847306961681978 -4.3268908893505014

Pt 4.6981516188307886 0.4282510092014765 -2.9596253344983761
Pt 2.2201653452357837 -1.7004185014203970 -3.4149673685654203

Pt 2.0202725578787941 -1.7596553506634891 0.0835620754668398

Pt -4.4497215491560276 0.4129943249232795 -2.9242503483416793

Pt 2.2945240178269124 -1.2709512236585099 3.5441133264503675

Pt -4.3831577388117502 0.7950216032447245 2.9548598684037115

Pt -2.0847580578439882 1.2527643734165697 4.2389124739605180

Pt 0.4537782830472671 0.9739172969563862 5.5209527621687684
Pt -1.7524778924485851 -4.2622606093898368 -1.0715583068755516

Pt 4.2342647257705570 -1.7930041144361113 -1.4300729832899957

Pt 4.8201994144608555 0.7692214603958992 2.7386142820089088

Pt -1.7019700828769722 -4.0904426250170856 1.6384735666591252

Pt 4.2821694877177228 -1.6166459661044243 1.5185819576020738

Pt 2.7383747575430242 1.4166353228438187 4.2657351478088472

Pt -2.1834613975483741 0.7227068883237157 -4.3161515558859023
Pt -4.4391194598232637 3.0842137499929114 1.2130423887255217

Pt -4.0695788527343275 -3.8170506734027141 0.2957228585897962

Pt -2.0381126824764131 3.8486798219119454 2.5797599043642596

Pt -4.6046670354755328 0.7106206149910478 0.0011201734042108

Pt 2.4010944922729740 -3.8075900795049433 -1.7370935739451663

Pt 0.0257896340349918 -4.4807759509334586 -3.0294126026888857

Pt 2.4447923437538996 -3.5580331514613688 2.1422470687229902
Pt 0.6416659618979671 -4.3184514477613289 0.2571042364704781

489
Pt 2.5555175967195218 0.9262349997607652 -4.4620387711827405

Nb 2.4552133745001292 0.2698339032058091 -1.6070698975101076

Nb 2.5059062874092026 0.4558027156529665 1.5088554608112288

Nb -2.4927107501791461 -1.9299295132125522 0.1482315987922320

Nb 0.1265750005859409 0.1219746952610611 -3.0632478498308084
Nb -0.1143359415322643 0.1528327053347497 -0.0051353817055495

Nb 0.2011697955258391 0.5167364130408193 3.0096357335029542

Nb 0.1593118416694056 -2.4434477485131607 -1.5977076697484800

Nb 4.7101368742090379 0.5657550623647599 -0.0981141242822683

Nb 0.2000812743321027 -2.2249963103389900 1.8801780214559853

Nb -0.2637115630463464 2.4591818618209365 -4.4801978982780426

Nb 2.2676571304975077 3.0286278260203279 -3.1913599707730280
Nb 0.0761662076245801 2.6635581269119557 -1.6629558338715564

Nb 2.3270321192952954 2.7257068363996542 -0.1843438159994189

Nb 0.0975554098609012 2.8518376230955926 1.3299192551636008

Nb 4.3788918943573769 2.6670660596745810 -1.8104345483758872

Nb -2.5016210802941607 1.3006807658350272 -1.6028284984869781

Nb -2.4738387333150378 1.4951217929276499 1.4760682693276790

Nb -0.2120356900972134 3.0391158971704915 4.1500900731044155
Nb 2.3151958302063456 3.3458432728967287 2.8020492192680093

Nb 4.4039601833676691 2.8613020537052041 1.3889317452323509

Pt35 Nb20 configuration: ∆E tot = 18.30 eV

Pt 2.3685479661041327 1.0553058202737331 -0.4446222214358003

Pt 1.2073897580600685 -3.7236626177643335 -1.5016469727357475

Pt -1.3302197737382979 -4.3938387174262585 -1.3731263755210805
Pt 4.1854833246224441 -0.7104748721697450 -3.5341892145568936

490
Pt 3.8387478022092436 -1.1258174280787154 0.9758063605076405

Pt 4.5772253446738471 1.3543310309329624 1.3512174766814646

Pt -0.6981492238089384 -2.6022411264550369 4.9332300225167218

Pt 1.0424693032015826 -0.3861453054230345 4.6919239690856793

Pt 4.7727800326806014 0.2975716746317224 -1.1575920269340547
Pt -0.4601137033795846 -3.0434433439695496 -3.5023740466772892

Pt 0.4011155250082472 -0.9837010886843732 -5.1732521308045669

Pt 3.3855211039116804 1.9416501595487361 -3.0804733677314982

Pt -2.5805137296612175 -4.8653369711599419 0.8976905795517157

Pt -2.2279470558560139 -1.5381670339065299 -5.0332413795863955

Pt -0.9283037450744178 -0.9837055471818560 -1.9084930021966078

Pt 1.7146775050481988 0.0597042463183771 2.0770013712617823
Pt -0.1201787724151817 1.5151597576591842 -1.7486495660002390

Pt 0.0517282389611309 -4.3467304537082123 1.0014195037714237

Pt -3.3961319854827252 -1.7292035639314045 4.3149799847207424

Pt -2.0488062433122334 0.8113198286254203 -0.0613139615409267

Pt -3.1307620904596045 -3.3115047053014233 -3.0467764506404693

Pt 4.1104838154286449 3.1790758023792538 -0.7001765767362517

Pt 0.3700997426256744 2.2562615587462957 0.9726408599515656
Pt -0.9711050756435977 0.2134995960468248 2.5471280987890466

Pt 3.3842447678953076 2.0443189322342317 3.6939092238805156

Pt 2.5235997827486534 -3.3778550882635900 0.8094377375403218

Pt -1.5772675892206491 2.5618862087974952 4.8052281930166378

Pt -0.9064786320387617 -1.7191221412805724 0.7559596667504666

Pt 2.1349897773593409 -2.5364935076484652 -3.7133834627265738

Pt 2.4410211392224759 0.6554258476168026 -5.2818027988389167
Pt -4.3090467722066395 -3.1475559087797107 1.9704411276009097

491
Pt 0.9742515061624955 -2.5573876723217412 2.8135394357951240

Pt 3.6438344276327399 -2.2560082661995455 -1.4340670302900027

Pt 1.3534673630003842 -1.3343897906757396 -0.4844277081281195

Pt 1.8572621162435015 4.3605624973213493 3.6668135547060032

Nb 1.7485568158500686 -0.2032777880959348 -2.8913820985091059
Nb -3.2902537623361021 -0.7426703879540489 -2.8364718892749750

Nb -0.9016271470356942 3.6488878879402051 -3.2613891140490043

Nb -3.0122875329067478 -2.6256728967652796 -0.4968874917286575

Nb -3.6390589485315008 0.9453654305475293 3.5755403669936028

Nb -4.7022636498019015 -0.0404055228150738 -0.6414019177177815

Nb 1.6649668009113641 3.3743210559986325 -1.5865562204137307

Nb -1.4562035824210282 -0.1137117569755027 4.9557604520980929
Nb -0.2714122342279560 4.6534912627546037 2.2426125387999232

Nb 0.9484225209725885 2.5514864972224549 -4.2878287438210112

Nb -2.9222741363390039 1.9854401709963356 -2.1671095241253040

Nb -1.1795819736452628 0.7526369012118893 -4.0532498213990227

Nb -3.3745282798191250 -0.7930140198945633 1.7375546982795584

Nb -1.6499429416718820 -3.2209629889219054 2.6565470212748101

Nb 2.7455691357192666 3.1515083428178601 1.4790207869342820
Nb -4.3844867190349497 1.7399156060571801 0.9351588057715271

Nb 0.7139517168786937 5.0859727715103569 0.1515739472348052

Nb -1.4001288620963370 3.6667086169950682 -0.5001641435314191

Nb -2.0868037273090700 2.5803879643201224 2.1670950158531275

Nb 0.7954705563420439 1.9703050422474602 3.7228184582839532

Pt35 Nb20 configuration: ∆E tot = 29.15 eV

Pt -0.0316536450526564 2.8738901840584146 4.4799038286434030

492
Pt 0.0195499534852527 2.7526288509160732 -4.3951068203885200

Pt -0.1379516178409637 4.4800225230571105 -0.0577829640509236

Pt 0.1239244652344610 -0.0124726916559093 -4.6432939440758245

Pt 1.3369384561423774 3.6886070135277800 -2.2357455733848939

Pt 1.1738451868438864 3.8966113361900465 2.2631543509930534
Pt -1.5224613557376780 3.6849901775593530 -2.3674774232271263

Pt -1.7356779111396186 3.4096308281317231 2.3022536069855395

Pt -2.3128705253305539 1.2619355338856497 -4.0590702608829980

Pt 2.3140157343311345 1.4817014492563252 -3.6519854849557607

Pt 2.3849487297024523 -1.6903107361889980 -3.6703226429659361

Pt -4.0111594397609647 2.2538458550470422 1.2152414993150682

Pt -3.7911891257537298 2.3054240742571244 -1.5699623737092772
Pt 2.4833891948328000 -1.6172272681397497 3.7985193099879861

Pt 2.4982341917756501 2.2081983253130248 3.9437821074262107

Pt -2.0134877407948157 1.1276053057261364 4.0812787401996138

Pt 3.8297503102545787 2.4414775690599804 -1.4160725490763331

Pt 4.0021090342994334 2.2659031184352543 1.4625160224970912

Pt -0.1199578646064155 -2.9583697474340589 -4.4843631620049740

Pt 2.5789049959506394 4.4841250815225520 0.0392737109370213
Pt -2.8176973208700962 4.3928651816048312 -0.0711899472234264

Pt 4.5773760320619568 -0.0000627662548492 -2.7012827788109117

Pt 0.0761799470493553 -0.0219206598886431 0.0111542354116540

Pt 0.0959651837032671 1.3598077111893851 2.2659803920980139

Pt -0.0392380399896147 1.3285540653232411 -2.2143895595551699

Pt 0.0989913536858790 -1.4216510685174351 2.2946817043236960

Pt 0.0201257674065959 -1.4785887013361063 -2.2945904275231861
Pt 1.5282334637666397 2.1593653703306863 0.1166606284545410

493
Pt -1.4230230075375914 2.1355202301627800 -0.0287022383058005

Pt 1.3240613148076705 -2.3798184513773313 -0.0434755200855409

Pt -1.4848614610103057 -2.2632350854811092 -0.0385084304510915

Pt 2.5324335258339055 -0.1608992369908321 1.4467458495109624

Pt 2.3192668415347328 -0.0531503906648255 -1.4029087417229977
Pt -2.2283582640516761 -0.1063599961224933 1.5254163629193180

Pt -2.3291723896690466 -0.0460134821358552 -1.5136021892309199

Nb -4.4352753558520979 0.3875744557620594 -2.9518149378209984

Nb -3.3832846716456149 -4.1854659601764013 -0.1002444302178605

Nb 4.0178981544883108 0.4652820991367005 3.3693003642948920

Nb -0.1803708947043957 -4.6803456515413986 -0.1907072034674356

Nb -4.5141227610410741 -0.0462750880788750 -0.0371456529219528
Nb 4.5403472704277306 0.3431488846488869 -0.1397719915410681

Nb 0.6684107927451449 0.2562881900558963 4.4008830183980931

Nb 1.1947684800584690 -3.8448653810613598 2.2524027731069234

Nb -1.4078777703129906 -3.7823189081553679 2.2022689245366172

Nb 1.4417611312186487 -3.8150142181535145 -2.3019866214557352

Nb -1.5445346964322366 -3.7216214528220846 -2.2725437649290070

Nb 3.7451017232529513 -2.2935422198343725 -1.4152599563830983
Nb 3.6869628540567154 -2.4984420567721379 1.1990186421086202

Nb -3.9769174241127536 -2.3390734686722956 -1.5525466640135539

Nb -3.8313801831359737 -2.1760276282941140 1.5039440881666200

Nb -2.0686607365482268 -1.2979037744099990 -3.8450726493845391

Nb -1.9425088180666961 -1.6112414533367416 4.0123871503066750

Nb 0.0426276628122479 -2.7680010089441023 4.6376069886933600

Nb -4.1712098644188318 0.5090410010941712 2.9611592850189341
Nb 2.7987811336537312 -4.6838258628112692 -0.1186066805670434

494
 Pt42 Nb13 configuration: ∆E tot = 0.00 eV
Pt 3.4797255589789828 2.0798414947514559 -3.7958450423472074

Pt -1.7442412206971645 -5.0379427093618796 -0.7982738427563680

Pt -4.4430114571464934 -2.3521394602492682 2.5588908202463836
Pt -1.9122804724779343 1.7879205548267829 -2.1633107718510884

Pt -0.3914237320476956 2.1711096107974526 -4.5215884229117602

Pt -2.2530485962612143 -1.5708396589476854 -4.2741965776888380

Pt -4.3847584868369367 0.5244252072350590 2.4477737231512764

Pt 0.8383376263721817 -3.8604830514531563 2.8903124874742820

Pt 0.6336836926911816 1.0999189872402682 -1.1512621871757920

Pt 2.3951109035148925 -0.3716506139000273 0.4172363400688466
Pt 1.1573160843741370 -5.2112293556448162 -0.4709255418875180

Pt -3.5577532515347299 -0.4624870084556061 -2.2041746830287203

Pt -1.9588880068712833 -3.6757360095580895 2.7233784695217627

Pt 5.1940881622102788 0.6938122442265107 -0.6115924826869767

Pt 2.9689713205701760 4.0517386072671053 1.0852856946174507

Pt -1.3527989678882359 1.1517435658102435 0.8116876657336911

Pt -4.4813820760092211 3.0665364738782976 1.4726663290823325
Pt -3.9682891372044096 -3.1402437417765525 -1.9808809626631969

Pt 0.4250096570220106 4.5562384644704350 2.0185740891406487

Pt 0.6134770692512300 -2.4051042682549237 -4.2503424152505307

Pt 4.5539767990631272 -1.0335104205119479 1.6098336155391453

Pt 3.6327070466057449 2.8792078271904367 -1.2313281390639237

Pt -0.8293921435860084 4.3719742586698969 -2.5211695221685155

Pt 1.1660978097262520 2.0307994172714672 1.3817035657876444
Pt 0.0787781592083328 -0.9340097414450927 1.5524897602491359

495
Pt 3.6324743220464093 0.6226135213917317 3.6225866677194123

Pt 2.5284645113844504 -3.2104876250721701 0.7685724569457715

Pt -4.8071445266707258 -1.0569164640489224 0.2016884548737226

Pt -1.5066347959757238 0.5962060383706023 4.6190769178128930

Pt -2.1184081121694707 -1.2826835472871234 -0.1160780011188682
Pt 3.3263650256153583 -1.8217466692679480 -3.6511642493625796

Pt 1.7228849294274788 0.1572747287311404 -4.5560783575803523

Pt 2.3174647361578695 -1.6374324881663720 3.1224930771641635

Pt -0.3198613330289610 -1.7801849568861450 4.1819240740923496

Pt 1.4395880293871601 4.6661759045504754 -1.0178833598351560

Pt -3.2307694306012364 3.8726451848931345 -0.8571239345250647

Pt -2.2145959824287211 4.6519847573105251 1.7150502243247463
Pt -0.2971532628762585 2.9303136131523519 4.1146777851643703

Pt 0.2509245395110827 -4.8283055361645824 -3.0119709858053678

Pt 4.1645272135919642 -1.9410122480990000 -1.0550995790546709

Pt 0.3423132761638457 -1.5650699868815507 -1.1364093873611829

Pt 2.4065044899301560 2.9755254694268332 3.5206716804220846

Nb -1.4038125108913697 -3.0381537708623947 -2.3921442384108014

Nb 1.9790809683001902 -3.1839751289616625 -1.9257727432650824
Nb -0.4360952170871190 -0.1048117237934741 -3.3551171880934927

Nb 0.9244719408710086 0.6127032880537626 3.5428082287038789

Nb 3.0265115695501161 0.1935222337095674 -2.0674756202086204

Nb -2.3583894503606726 2.3214397448988531 2.7205754620609026

Nb -3.6336305327593723 1.3109882905689423 -0.2368517320941096

Nb 3.7513676501262383 1.5994506062779104 1.2549842013454999

Nb -3.3364409398279680 -3.3615984244058033 0.4610106732558995
Nb -0.2502611886051797 -3.4989593686856324 0.7102321438235850

496
Nb -0.7580171128711789 3.5639462109770781 -0.1011339537448245

Nb 1.2817367919856382 2.8309144866483664 -2.7576003805086797

Nb -2.2834779389222080 -1.0042568144548658 2.6866096941274114

Pt42 Nb13 configuration: ∆E tot = 2.37 eV

Pt -3.3624632697461645 -0.9170984937336624 -2.5684571599791308

Pt 1.1442836194991957 -1.3113230928558697 -1.2422824159399344

Pt -4.6483484251615765 0.2276849596037951 1.6395695783902500

Pt 3.9582173701782173 -0.5814191420017207 -3.2206183435586571

Pt -0.3527348796994837 0.8602821052774843 -1.5993017516165624

Pt -2.6903042040324627 1.7124873410157317 -3.1347369895355746

Pt 0.1628692136138391 -0.5684608053943714 1.2606456473397121
Pt -2.0725732308304119 0.7004541008286571 0.4989319092493990

Pt -2.2745035707565844 -2.6464870182678237 -4.2351273979555613

Pt 1.9839842026472003 -4.0605696033335468 -1.3225322980347762

Pt -0.5587730779464629 -4.0424771422147900 -0.1010224807500179

Pt -0.5275302616082679 1.6478868681589278 -5.0360160867766615

Pt -2.5407863350690416 -0.1123454041578918 -5.1091163387995380

Pt -2.3824812788876253 -2.5836183671099913 4.4472481102311976
Pt -4.4391779469684840 -2.4149193659890780 2.4682066039774648

Pt 4.7221032392852855 0.4863086569860284 -0.8536462192902863

Pt 2.4076858920921378 5.3884555147615396 0.5830382328200732

Pt -4.1039006779091673 2.7772432764411770 1.0830305690710724

Pt -2.9253756556630499 -3.7168487994227721 -1.6515233853075548

Pt 4.8593897243879161 -1.4137306262237519 1.1288151909673743

Pt 4.1266397121923220 2.7778027173231528 -2.1325812386358978
Pt 3.4296259707905694 -0.3336735589706972 3.3460959835297492

497
Pt 3.8105492909154175 -3.9151242092458678 0.7170123647097275

Pt -4.1773752685100334 -1.7553138275733511 -0.1600975825312431

Pt -1.3895696556832480 0.0095294044255363 4.8095338307663482

Pt -2.8888894436933450 1.7329782190651035 3.2790284780971515

Pt 1.9085544988061320 -2.2694748212218991 -3.5418469282682512
Pt -4.1581904546202590 1.0427028557613160 -0.9664438711976686

Pt 1.6906494498067111 0.1234103487016096 -4.6552110551926669

Pt 4.7523345916083706 1.4289639763761326 1.6906111911802673

Pt 2.6838418629002900 -2.8530657885991819 3.2319450708509772

Pt -0.9288985826488422 -3.0834595959116387 2.3408509768985883

Pt 0.3879657566117639 -2.4857657899207948 4.5414900675144869

Pt 1.7502406219037752 3.9165718776216236 -1.6936591378511556
Pt -0.1909666097940920 4.7822020350971073 -0.1532054618516087

Pt -2.1808289606410143 3.1871469708513960 -0.8924196267730560

Pt -1.6788770105744639 3.6578982654110623 1.8222650255115003

Pt 1.7931840379178268 2.7752653268415242 -4.1020567069504299

Pt -0.1960886440916169 2.0887894737547761 3.4689850283240036

Pt -0.3578666002566723 -3.3477128352099772 -2.6482323555437866

Pt 2.3549155769067616 2.0833111454427677 2.6890573404496267
Pt -4.1829333348698423 -0.3792188221071336 4.3593178214190367

Nb -2.4108630187682625 -0.7904829769423698 2.5758400826775238

Nb 0.9024287675377854 -0.2478890960432374 3.6352006247547051

Nb 1.5025314326282211 -2.8776948485363869 1.0510351508173241

Nb 0.8320736202037370 4.2392139808462446 2.2623540942434444

Nb -0.5203225217361495 -0.7427308100855876 -3.6819436203150122

Nb 3.2042514517657033 2.9678053159351672 0.3232603383272148
Nb -0.4900359334507928 2.9836353304701335 -2.8692069154732014

498
Nb -3.0034787391029165 -3.7919205848510043 0.9341480315602970

Nb 3.6655884482616772 -2.0559056581601141 -1.0916415112572508

Nb 2.6969660168480361 0.0185639409784543 0.8114561102725544

Nb 0.2607033001681845 2.2730441937549717 0.6394442260332514

Nb -1.6036346256032927 -1.6632673713997483 -0.7839579414931035
Nb 2.2461945488465429 1.0723602537528365 -2.1915328591057301

Pt42 Nb13 configuration: ∆E tot = 5.49 eV

Pt -4.5842071245341636 -0.0000000000000044 -2.8182395338060235

Pt -0.0000000000000056 2.8182395338061723 4.5842071245341529

Pt -0.0000000000000056 2.8182395338061723 -4.5842071245341609

Pt -0.0000000000000056 -2.8182395338060271 4.5842071245341529
Pt -0.0000000000000056 -2.8182395338060271 -4.5842071245341609

Pt 2.8182395338061710 4.5842071245341520 -0.0000000000000033

Pt -2.8182395338060262 4.5842071245341520 -0.0000000000000033

Pt 2.8182395338061710 -4.5842071245341645 -0.0000000000000033

Pt -2.8182395338060262 -4.5842071245341645 -0.0000000000000033

Pt 4.5842071245341502 -0.0000000000000044 2.8182395338061759

Pt 4.5842071245341502 -0.0000000000000044 -2.8182395338060235
Pt -4.5842071245341636 -0.0000000000000044 2.8182395338061759

Pt -0.0000000000000056 4.6408782850556518 -0.0000000000000033

Pt -0.0000000000000056 -4.6408782850556589 -0.0000000000000033

Pt -4.6408782850556589 -0.0000000000000044 -0.0000000000000033

Pt 4.6408782850556518 -0.0000000000000044 -0.0000000000000033

Pt -0.0000000000000056 -0.0000000000000044 -4.6408782850556562

Pt -0.0000000000000056 -0.0000000000000044 4.6408782850554982
Pt 1.4288149696252166 -3.7465737001691468 2.3176132063929646

499
Pt -1.4288149696252277 -3.7465737001691468 2.3176132063929646

Pt 1.4288149696252166 -3.7465737001691468 -2.3176132063929709

Pt -1.4288149696252277 -3.7465737001691468 -2.3176132063929709

Pt 3.7465737001691366 -2.3176132063929744 -1.4288149696252255

Pt 3.7465737001691366 -2.3176132063929744 1.4288149696252188
Pt -3.7465737001691455 -2.3176132063929744 -1.4288149696252255

Pt -3.7465737001691455 -2.3176132063929744 1.4288149696252188

Pt 1.4288149696252166 3.7465737001691353 -2.3176132063929709

Pt 1.4288149696252166 3.7465737001691353 2.3176132063929646

Pt -1.4288149696252277 3.7465737001691353 -2.3176132063929709

Pt -1.4288149696252277 3.7465737001691353 2.3176132063929646

Pt -2.3176132063929735 1.4288149696252153 -3.7465737001691428
Pt 2.3176132063929593 1.4288149696252153 -3.7465737001691428

Pt -2.3176132063929735 -1.4288149696252290 -3.7465737001691428

Pt 2.3176132063929593 -1.4288149696252290 -3.7465737001691428

Pt -3.7465737001691455 2.3176132063929606 1.4288149696252188

Pt -3.7465737001691455 2.3176132063929606 -1.4288149696252255

Pt -2.3176132063929735 -1.4288149696252290 3.7465737001691393

Pt 2.3176132063929593 -1.4288149696252290 3.7465737001691393
Pt 2.3176132063929593 1.4288149696252153 3.7465737001691393

Pt -2.3176132063929735 1.4288149696252153 3.7465737001691393

Pt 3.7465737001691366 2.3176132063929606 -1.4288149696252255

Pt 3.7465737001691366 2.3176132063929606 1.4288149696252188

Nb -0.0000000000000056 -0.0000000000000044 -0.0000000000000033

Nb -0.0000000000000056 1.5319545220488866 2.4833523486558935

Nb -0.0000000000000056 1.5319545220488866 -2.4833523486558997
Nb -0.0000000000000056 -1.5319545220488955 2.4833523486558935

500
Nb -0.0000000000000056 -1.5319545220488955 -2.4833523486558997

Nb 1.5319545220488855 2.4833523486558895 -0.0000000000000033

Nb -1.5319545220488942 2.4833523486558895 -0.0000000000000033

Nb 1.5319545220488855 -2.4833523486559033 -0.0000000000000033

Nb -1.5319545220488942 -2.4833523486559033 -0.0000000000000033
Nb 2.4833523486558908 -0.0000000000000044 1.5319545220488902

Nb 2.4833523486558908 -0.0000000000000044 -1.5319545220488919

Nb -2.4833523486559024 -0.0000000000000044 1.5319545220488902

Nb -2.4833523486559024 -0.0000000000000044 -1.5319545220488919

Pt42 Nb13 configuration: ∆E tot = 6.45 eV

Pt -4.3864143247925567 -0.9375443724853861 1.4684557305484405
Pt -0.5699420557942617 -3.1076173563958505 3.9355888285125329

Pt -1.6858237777052536 -1.2647492897305179 -2.4827993302665359

Pt -4.4434118973529841 -1.0869433605134051 -1.2566239683416778

Pt 0.3943521521540344 -0.8993256702022446 5.0395813400588754

Pt -1.6220085182594901 -0.9040930012093226 2.6106617745768839

Pt -2.4165269793572874 2.3295398073089140 -3.8185243406688407

Pt -4.3846565842586500 2.9682827007670851 -2.0789105954034306
Pt -2.5514018614232890 3.2378908265893558 -0.1958586512841956

Pt 0.2198771223740189 -1.5161296693087087 -4.9167987174863468

Pt 4.5649014668447023 0.5699111754731404 -3.5787144189488838

Pt 2.2163894124788599 -2.2867865045081222 -3.3692422652957839

Pt 4.8100331792484390 0.0223248611000363 -0.0827380618490452

Pt 2.4414514968424696 -1.4680063583773526 0.0852276261062998

Pt -4.2877558436743044 0.3411258537804102 -3.5152610243271600
Pt 2.3769552479257139 -1.8120689866714992 3.5849790833997086

501
Pt -0.0668741907176619 2.9609383852442832 -4.6770025376232569

Pt -4.1633427106699123 0.7638931381046726 3.5185780946061902

Pt 1.9235587212592755 2.5343935776237543 -2.9298476033845939

Pt -0.4229306126489005 2.6430612007759695 -1.5762309839719091

Pt -1.9730046361902143 0.5279453317014041 5.0260520565067344
Pt -0.4100156310400659 2.8789076074916360 1.2656666886858994

Pt -1.7172393574084568 -3.9338821097718228 -1.1427387833929945

Pt 4.4422568093689971 -1.7522703810649687 -2.0084079243442945

Pt 4.7222979277398345 0.9415720808806952 3.3617773930809824

Pt -1.7202992025474151 -3.7769453109237188 1.6030451486959461

Pt 4.5411759371557388 -1.5074064336136677 2.0525175690136188

Pt 2.3877435770042372 0.8318689535993319 4.5971013123797260
Pt -2.1195107093462142 -0.0675336643704379 -5.0222286061429271

Pt 4.1772102632452750 2.1747015780089929 -1.4852341456478895

Pt -4.3084991161875861 3.2468446073450772 1.7744849067741981

Pt -4.0053268800916770 -3.3088915797512022 0.2066805744016828

Pt -2.3029451080739363 2.7822113660744656 3.5391059452398408

Pt -4.9119004035580307 1.2579767263343529 -0.0175758528711152

Pt 0.0556940338697892 3.5314980780242959 4.3039384688448097
Pt 2.8034165679532506 -3.7784018066063854 -1.1878115477674633

Pt -0.3837682118299334 -3.6538735614074684 -3.4484540492542934

Pt 1.9799916161047417 2.8876659767202106 2.5504922224700430

Pt 2.8721325741991888 -3.6076427656791474 1.6012272351699508

Pt 0.6001619342337824 -4.4026228999514530 0.3003494683896465

Pt 4.2235446232788032 2.3036946893909440 1.1248116557467029

Pt 2.2407260074764288 0.1987382836597777 -4.7069732794029333
Nb 2.6163570969298635 0.0932613755364348 -1.9653778841430025

502
Nb 2.6846087474887779 0.3250887609202892 1.9135010892071702

Nb 0.0097491373743478 0.8206707673718009 -5.9402436538584915

Nb -2.1624581982446442 -1.6084816318577921 0.1113313222106768

Nb -0.0890220302459709 0.6437315705748753 -3.3016597296162478

Nb 0.2150719480002390 0.3684915619818162 0.0075866200538710
Nb 0.0077995267885108 1.0645551761362726 3.1913217840050514

Nb 0.5090278570654801 -2.4953284015665553 -1.4391721180511547

Nb 0.5600130681745631 -2.3498501763389004 1.8544551273209007

Nb 1.9301682498023953 2.5058559739098736 -0.1625601479027783

Nb 0.1694294468150864 1.5345451624479332 5.7861731892286867

Nb -2.8159009398415535 1.0103639207262847 -1.5840342633752016

Nb -2.7751159679365949 1.2248442167015408 1.4763322293873826

Pt42 Nb13 configuration: ∆E tot = 7.19 eV

Pt -2.2014643659184405 -2.7554789391258048 -4.1133205295292425

Pt 1.7224224695918893 -3.1085881448302954 -0.9111629648801982

Pt -0.9474910589872635 -3.9394037569730909 -0.6414836673482551

Pt -2.4027010266063695 1.3475299645395344 -2.7708912133373911

Pt -0.3609929748183519 1.3442667129332995 -4.5619529398889274
Pt -2.4273516439747298 -0.2581887673555731 -4.8658538043547876

Pt -4.6095106177591489 0.1763113036328468 1.7968669589329254

Pt 1.1192687486516586 -3.9527066576614436 1.7455235956845472

Pt -2.3402851203470800 -2.4820589429386617 4.4283992707762696

Pt -4.1897392885017553 -2.4353545471998954 2.2014741857146234

Pt 4.6989161627377944 0.6764191392028494 -1.0309589385645441

Pt 3.4632169075897878 4.1511929090592847 1.8254448774409819
Pt 4.3994109899854648 -0.4583943604480642 -3.4608172994986495

503
Pt -3.8896690725604040 2.7004048605754907 1.3642433919139665

Pt -3.6463212999432986 -3.5181717294015087 -2.0948645584534669

Pt 0.6664889089335998 4.2662885673547271 2.4489975683199079

Pt 0.2844245684159253 -1.3902347193180453 -4.9639569045316714

Pt 4.7126559908652679 -0.9984650029534057 1.2495007208778564
Pt 3.7000976544157864 2.1320241318776825 -2.9764188560732716

Pt 4.1713723795746898 3.2963703540056812 -0.6060532768923255

Pt -0.5257663343547631 3.3631554958636234 -2.5969235471807171

Pt 3.6649325510755912 -3.4859354210750029 0.8631248497621569

Pt -5.1797957208551413 -1.5578427090538198 -0.5203990629264810

Pt -1.2524842239690857 -0.0411222139507636 4.9179534955606483

Pt -2.9027692456970136 1.7042100756611009 3.6448455548604990
Pt -3.7725533576058283 0.7185169086246561 -0.6069634306265563

Pt 2.2245356251374679 0.4960081666657906 -4.7126546679367181

Pt 4.1873836130392998 1.5845673639541986 1.4525233273495790

Pt -3.5969526011209321 -4.3565936811992803 0.4509092539153917

Pt 2.3188655464536971 -1.5746993019810700 2.2079530869344506

Pt -1.6014792870695571 -3.4657582612203681 2.0038807162649719

Pt 0.0591749080722649 -1.9523800114824030 3.4554419673200192
Pt 1.9333424806710304 3.9374983938793786 -1.7787193522049443

Pt -0.1866861429717989 4.3636403730287325 -0.1088589597347253

Pt -2.3177388030494934 2.9934528575386041 -0.7065067598920354

Pt 1.5002811273375820 0.1433224583725876 4.7567539291380987

Pt 1.5503386286775414 3.1630017643858404 -4.3891133946211314

Pt -0.2853026662424517 2.3006614303637347 4.0954708614435313

Pt 0.1092356373152047 -3.1854342636501132 -2.9408131393756145
Pt 4.1268240302038715 -1.9620756674540549 -1.2764020581297719

504
Pt 2.3702291573456731 2.3231153525192152 3.4273138837405446

Pt -4.2827158003877814 -0.6394735758541354 4.2966272588503616

Nb -0.8250877624114780 -0.7746317461806955 -2.6823193637874718

Nb 0.6239931122842169 0.5829169300885482 2.2986226993182104

Nb 1.2820639243515970 1.4329334516862533 -2.4248038744826230
Nb 2.3998944424163597 -0.1501182349839485 -0.1423418201786306

Nb -3.7016314213904589 -1.0171595591404701 -2.7055729317001544

Nb -1.0715423633884138 0.6542761345704700 -0.2040203681722914

Nb 1.7496540199806312 2.7532112489065721 0.5366615846653866

Nb -2.2599363509320214 -0.6251797070749820 2.6310625159389893

Nb 3.6925031032544378 0.0973868817951449 3.4214956603824778

Nb -2.7520951838275365 -2.0267781086155416 -0.1527201763296870
Nb 2.1172763537532786 -1.4494197209467641 -2.9982356496296738

Nb -1.3620928086069426 2.7527890696370534 1.7784439521678606

Nb 0.0433535011659315 -1.8938245486536986 0.6455683429877082

Pt42 Nb13 configuration: ∆E tot = 7.82 eV

Pt -0.7881744281456727 2.2770150108957194 2.1133921468495496

Pt -1.0776840505311169 1.1212941430615335 -4.4282261018064544
Pt 0.7184158863045323 -0.0775695784575677 1.9068494263743494

Pt -0.1828214670884532 -0.1423742891264964 -2.2571442704355547

Pt 1.2915516541636143 3.8293886081690003 1.4616839190865905

Pt 1.8935515738325124 -0.7993561246603611 -0.5861521277205843

Pt -0.6015632793518110 -1.6747990501985996 0.0189486102391763

Pt -2.0502072105428102 0.2027580772370633 1.0725501476247274

Pt 1.1828727953673661 2.4818085346617833 -2.7837339109497643
Pt 3.4610825349064416 2.2998624576111135 2.0422725184011057

505
Pt -2.3453226383580734 4.9443156852643728 -1.1455553328501951

Pt 3.4100736580148898 -3.7470553046878230 -0.0387892259118099

Pt -2.0015739903385579 -3.7967261866425197 -0.7256138857612393

Pt 5.3997975191784358 -1.5250661320914891 0.2172669158892748

Pt 3.9708434044183138 -0.8401882737144346 -4.1270643642697804
Pt -4.5946922271430690 -0.7446858922763666 3.4784535546975088

Pt 0.6937448504336557 -4.1594404515140200 -0.3621226341281785

Pt 5.5718685488655373 -0.1161570945669617 -2.1429610516294737

Pt -0.4541925834433294 -1.7544646002064050 -4.7419282933518963

Pt -0.2097665514020729 -0.3198714204359608 4.5966890240774108

Pt 1.6148010125488701 -2.8745573338398991 1.8251012497985659

Pt -0.9885547210973894 -3.6647989786600981 1.7922320958550675
Pt 2.2118031426285660 -3.8294859194562214 -2.6110133558434421

Pt -4.3088815620027923 -2.4387767501371496 -0.9163146884938074

Pt 4.1751365400152949 -2.3824510295375552 2.4244997162253381

Pt -5.0132422963657710 -0.7183964804619385 -2.7954004592349997

Pt -3.6671990390406828 -3.1288171232512578 1.5875867209140710

Pt 2.7576803608218330 2.8768822926304436 -0.5873403363810319

Pt -0.1576548215770964 4.5421977062497199 3.7341583049218894
Pt -1.4485150428989144 2.4052369733894845 -2.0252873506106264

Pt -1.3293501743998133 4.8253627007152140 1.2496363272867761

Pt -3.6706035359557996 1.6455860369243527 -3.2407771578323366

Pt 1.4893922871492091 0.2022879150336089 -4.3713614571904023

Pt -2.6303090485968279 -2.7053075510744415 -3.2032828637963093

Pt -4.2545789704504617 1.7274745950641601 1.9502364929204223

Pt -4.7045383477866709 1.2371623691250637 -0.7236680716272665
Pt -2.0891429314908962 -1.7390826567979945 3.3452195460294400

506
Pt 2.3075517049941294 -1.1769695280445998 3.9172205170132770

Pt 1.7662471096853800 1.4855164487259604 4.0459014791262566

Pt -2.4575642135679572 0.9899778948844866 3.8285048477788441

Pt 4.8447257493560691 1.2737175633119735 0.0154878671475436

Pt 2.4304380242531098 3.9486136582048452 3.8834085836080678
Nb 0.4384417123877908 1.5768633744076905 -0.2227157470255337

Nb -2.6332118847626593 2.7836306857446473 0.2361618136767547

Nb 3.3621942684390325 -0.2382989698718808 1.4468605992041648

Nb 3.1283189517179864 0.8440696162065493 -2.1444465887488078

Nb -2.7259821820769665 -0.3900068608689083 -1.6200407913539976

Nb -2.9963205873935741 -0.4778027637130156 -4.3915982081075944

Nb -0.4733115670901367 2.3541424774638688 4.6922003038778888
Nb 0.1573507822853856 -2.7067265394968727 3.8384156782863825

Nb -0.1686642761164102 -2.7702271596039134 -2.3627974856547840

Nb 0.2081641897862200 4.1569706429423414 -0.8274678355139427

Nb -4.3323827259670162 -0.7582153226449497 1.0532593146277471

Nb 3.8555992870182294 -1.9995752981263348 -1.7322209738386289

Nb 2.0143588064103990 -2.3348848037589649 -4.6591731514697452

Pt42 Nb13 configuration: ∆E tot = 11.53 eV

Pt -4.1258426486309698 -0.4667566186534532 4.2659095991440870

Pt -2.5318834855306558 -2.5696056322012235 -4.6463753911586902

Pt 1.9640664227809037 -3.4828755792054640 -1.0042856716640665

Pt -0.7234547122969591 -3.7526824406995187 -0.4200530624308280

Pt -2.6932732828071604 1.6770607690305548 -3.1211299978878957

Pt -0.4665249781079425 1.2964390455578350 -4.7438728486515753
Pt -2.7704935310010708 0.0248189644185744 -5.2270497331550514

507
Pt -4.1972211879667558 0.1613346811487485 1.6225794451161240

Pt 1.2246481475367001 -3.3992925130544021 1.6147764286568838

Pt -4.1813692400726410 -0.8634088035697102 -3.0102903285284439

Pt -2.3625434447736278 -2.4959249593581219 4.5412623062311592

Pt -4.0408925683742742 -2.3521891294288153 2.2790728162957365
Pt 5.1927420826223374 0.4720315754419308 -0.5122081381430992

Pt 2.4762130863543930 3.7219283882835370 1.1695541438335106

Pt 4.3381773480703778 -0.8194232620748833 -3.6399781564809008

Pt -4.0308354476123593 2.6914075854258011 1.3215967092001928

Pt -2.8865857114580633 -3.1613060715472674 -2.1163288745745090

Pt 0.5621545192322827 4.5360091487806313 2.8872387617712554

Pt -0.1603139179898069 -1.4280885303653805 -5.0858204414204939
Pt 3.7645174662073706 1.4945159966179171 -2.6416036684619364

Pt 4.4996203367416223 3.1675387167711486 -0.5693560443264822

Pt -0.4428393026286878 2.8923820071277628 -2.4851106522894200

Pt 3.9150595349362907 0.2485067527769208 3.8646504212454316

Pt -4.7761081410470929 -1.7409499590835387 -0.4839563367738330

Pt -1.1968985884659953 0.0617506472220502 5.0387477033058534

Pt -2.8098777926193805 1.7283940956556967 3.5747262705161931
Pt 2.0033548818123301 -2.0820495645668702 -3.3322012712390787

Pt -3.5432558966797494 0.6098227420026360 -0.8380193788356867

Pt 2.0819339657205940 0.0469508796061727 -4.9842522449987063

Pt 4.4665333915932104 1.9297112646366645 1.8397321188042213

Pt -3.3700414099766571 -4.0389676180859775 0.3342943198485684

Pt -1.4768845988264421 -3.3502314667956816 2.0980071545283057

Pt 0.1490505007029063 -2.1447069921884414 3.7821784007069632
Pt 2.0532035363990504 3.3446684849403643 -1.6578033076956458

508
Pt 0.0576718948881162 3.6433598011678008 0.0675770611606937

Pt -2.3916305795175927 3.0032475287239642 -0.6718751407517412

Pt 1.3145002562579629 0.2297355809555700 4.1808657041492348

Pt -1.6995596504542101 3.5360570955302855 2.0451822849553327

Pt 1.7137419355963457 2.7808727331686995 -4.2907567671576334
Pt -0.3286685821016589 2.4877942117812837 4.4767631844436924

Pt -0.3426009075903164 -3.1717372676006454 -2.9843881958224987

Pt 2.5360061367730320 2.6245362469725997 3.7091285368482332

Nb -1.6159130760885596 -0.7380837470556935 -3.0577183635189451

Nb 1.1241854813223087 -0.7485299391326597 1.4877559148166668

Nb 1.2310450015015151 0.8410904334722039 -2.7700877070798260

Nb 2.6853440635314163 1.3558551566635528 -0.0399127205654876
Nb -0.7971933895253606 0.9835935355404740 -0.3003787665032897

Nb 0.5796166305733298 2.0686998577007243 2.1689630137403979

Nb -1.9831815737817051 -0.6413087245680332 2.7870156957086891

Nb 3.6751845952802880 -3.2498014265201847 0.8585876100084884

Nb -2.3288598325311689 -1.6854783889061695 0.0711300998679943

Nb 2.6947620035152977 -1.9972559561676928 3.4419286389951993

Nb 3.3910299186449948 -1.2580492544853847 -1.2575039974371025
Nb 0.4584123704867294 -1.2934034491301742 -1.1332900064495108

Nb 4.1219719693751697 -0.7280066326767171 1.4963828701032647

Pt42 Nb13 configuration: ∆E tot = 22.51 eV

Pt -0.1457930164756295 -0.0921265110986733 -0.0554773251470108

Pt -0.0718706472249255 1.3489819537081364 2.2275344432823685

Pt 0.0300136238513694 1.4111232842526074 -2.2831305220606497
Pt 0.0085495887206444 -1.3850260516053623 2.3014431584629804

509
Pt -0.5453450049092404 -1.6144397634856837 -2.2694742929844987

Pt 1.3783507532110213 2.2323801807013592 -0.0007912134774529

Pt -1.3956331253550152 2.2925223535762038 0.0243480698009099

Pt 1.4374873046842482 -2.2699059168134124 -0.0125510074440237

Pt -1.2262066887437835 -2.5918524516645158 0.2330812647645911
Pt 2.2317186866567003 -0.0010459435325299 1.3780826938433766

Pt 2.1830194184914582 -0.0442915262026655 -1.4215503516064465

Pt -2.6064529330582742 -0.3391218252987243 1.0689702825838743

Pt -2.3580321531665076 0.3692721365077654 -1.5978207938794098

Pt 0.0467330902704173 4.6527007440953909 0.0336596541629638

Pt 0.2836695564270991 -4.8322003585383166 0.0473434353239642

Pt -4.8347893574147598 0.0964833479255966 -0.5536736243043178
Pt 4.6243138520253213 0.0338381974995534 -0.0114669547137743

Pt -0.0724387503298042 -0.1081941689790942 -4.5619587712280651

Pt 0.0126854180070216 0.0177832265973212 4.6331222861317682

Pt 1.5085879891467722 -3.7445400826351820 2.3625651492334430

Pt -1.3130822663010824 -3.8440442405512019 2.6331064637097676

Pt 1.3026809314286845 -3.6927657128046563 -2.3536208181900875

Pt -1.6937583240012681 -4.1379241276247578 -1.9345437727511521
Pt 3.7593151836311645 -2.2989716619229021 -1.4315002435658997

Pt 3.7959349988250253 -2.2774557945221603 1.4297242683623042

Pt -3.6900549394983351 -2.9023405523752457 1.2992817904488341

Pt 1.4891946567415515 3.7609086312237090 -2.3007586264072084

Pt 1.4483039679005281 3.7231602815480316 2.3291875827406794

Pt -1.3776521561730359 3.8296155976937172 -2.3137097949667838

Pt -1.4144132945967478 3.7481240120596491 2.3239419372847845
Pt -2.2108496777165412 1.6798444590240622 -3.9612601600159008

510
Pt 2.3307477376714232 1.4325780086194591 -3.7374211386636675

Pt -2.8373838722149225 -1.1383044887418341 -3.7874576067572203

Pt 2.2216541843578623 -1.4542486731491133 -3.7302897282953609

Pt -3.7592820295642593 2.1718274142721770 1.4071734210322719

Pt -3.7922591161889221 2.6564746731793449 -1.4023061542403461
Pt -2.3922333399014626 -1.4064306566721532 3.6289570958298079

Pt 2.3527231139852001 -1.3841004369352989 3.7661607331334306

Pt 2.3143189868146239 1.4607818446163356 3.7261896978601126

Pt -2.3553621010995762 1.3767774971863644 3.6790938586086241

Pt 3.7589236100127419 2.2949311117441487 -1.4121793923317534

Pt 3.7551535777682608 2.3226503461712005 1.4327080714718106

Nb -4.4724140730556794 0.6304770298895925 -3.0032488039586340
Nb 0.0572374057437806 2.6963598212049660 4.3232917249398275

Nb 0.1301143596959967 2.8029135036544619 -4.3355980231205731

Nb 0.1449432579068440 -2.6352296616662580 4.4404990731579081

Nb 0.1421626678211399 -2.6520094195220683 -4.3838940138235154

Nb 2.7113998479845103 4.3346835697736763 0.0190197776515181

Nb -2.5752426513378115 4.4759951262411022 0.0435336732125690

Nb 2.8497961051922003 -4.3086262110003313 0.0611314351442386
Nb -2.3662275079301587 -4.8646347591629864 0.3969730823430565

Nb 4.3551637073765388 0.0345189071079852 2.6766626557118198

Nb 4.3588716990539913 0.0362555648087313 -2.6395920114229470

Nb -4.2938629823065515 0.0910711487148139 2.7972169568819627

Nb -3.2231292728398486 -1.9952029770923365 -1.2287285917588622

Pt42 Nb13 configuration: ∆E tot = 25.02 eV

Pt -2.0803435248299622 -3.1816055016470099 -4.2367184813161796

511
Pt -1.0292733051340144 -0.1503723938358087 -1.9621773582125535

Pt -2.6417634958206153 1.6465198995149342 -2.9737135531865775

Pt -0.3594923914054710 1.2151791098498861 -4.4280854124232771

Pt -2.4646632935305424 -0.4824880964560506 -4.5540407637045890

Pt -5.1019366618940838 0.3789371640828235 1.4639268803066703
Pt 0.5273359694419361 -0.6758999693876983 1.8187713046393208

Pt 1.3800567056971427 1.0816625272413498 -1.6103656090044471

Pt 2.7297934546928233 0.1290752637124399 0.6502571779209412

Pt -4.5447327327735421 -0.3982708811583849 -2.8920130602502372

Pt 5.5085088278363292 0.5688368512844580 -1.0176227305905883

Pt 2.5020026947645113 3.5397531230025612 0.8659193444238897

Pt 4.6546221129599141 -0.4352808491906129 -3.9123442818503431
Pt -1.9543774441285162 0.7489142457133743 0.3140297837214747

Pt -4.2089890903102729 2.9169588989689745 1.0924930979698690

Pt 0.6252589502641025 3.8943606828252446 2.5897975878990511

Pt -0.0081458438655687 -1.4226149833052415 -4.2969148053374706

Pt 3.8714835183864831 1.8705173304023868 -2.7961677924918940

Pt 4.5369738812251281 3.3426750388593875 -0.7334416024468964

Pt -0.3976553482534756 3.0919625547107250 -2.4785011672712276
Pt 0.4437890160343890 1.7101385409954624 0.7595235766881498

Pt -1.8845391335129724 -0.6117126500446112 2.8266571664125193

Pt 4.3350707239353188 0.2025542939659327 3.5902205094325068

Pt -4.6743583440823704 -1.7281235276861406 -0.4853058344032379

Pt -0.9604408171007893 -0.3738380585099560 5.4969569139320411

Pt -3.2562182252973595 1.5011016324873721 3.1525310206662125

Pt -1.5382271939271077 -1.9299221834120135 0.4256772094070658
Pt 2.5277311563026221 -2.4189119986771925 -3.4527052655281505

512
Pt -4.3095706638834850 1.2283664628363580 -0.8908566364368125

Pt 2.0741641229720851 0.1791560687908777 -4.1951563681815447

Pt 4.6293803745291360 1.9163851953942603 1.4610000879275389

Pt 2.0818778020969329 3.6604106861286390 -1.7172624031709418

Pt -0.0416480146807600 4.1733091605430834 -0.0626974893381460
Pt -2.3809276089755431 3.1400906306622076 -0.8175979640298032

Pt 1.7050759466317069 -0.2212983005897587 4.5944795528736355

Pt -1.7388786101308096 3.2161723234905941 1.8504865250675637

Pt 1.6928525881862246 2.7991291569748458 -4.1592610203509253

Pt -0.3503667352472876 1.5574012768312664 3.5914309841082832

Pt 0.0421115861110724 -3.4866146075739435 -2.6924074238635542

Pt 0.9379418448290208 -1.5294169398925201 -0.8326010951722669
Pt 2.3083881049528210 1.8616721309542639 2.9958105798957444

Pt -4.8493338735736948 -0.5440406281664488 4.1624258494185717

Nb 2.0667449265283540 -3.7691945180914113 -1.2023205406838424

Nb -1.2740469508462553 -4.3311304379651343 -0.7150496074484369

Nb 0.8012207905631820 -3.2924134025388807 1.2767919563444519

Nb -2.8447515050350689 -1.8157293013398417 4.8616799717731762

Nb -4.0486769991881761 -1.7601104691812464 2.0445404943421703
Nb -2.6858150611713163 -1.9371041136480298 -2.2047559422411105

Nb 5.1449003281523886 -0.5025251316004739 1.2316179887741252

Nb 3.5043673337587067 -2.6966127702403382 0.5228892098546478

Nb -3.3605166228340919 -3.9103434250413387 0.2394343683032043

Nb 2.7959725749699103 -1.6858504811354167 2.7323960134033438

Nb -1.8311149574131007 -3.4587496317010209 2.6273847921800710

Nb 0.0405775622355656 -2.1971307251115273 3.9094667577630369
Nb 3.3526015507884481 -0.6239342730956622 -1.8285124965142163

513
 Pt42 Nb13 configuration: ∆E tot = 31.26 eV
Pt 0.0124833805151151 -0.0000000000000020 0.0181534610082049

Pt 0.1471679174811601 1.4156488643669245 2.3753240247903173

Pt -0.0505052864948111 1.3756696362278218 -2.2168653427992897
Pt 0.1471679174811601 -1.4156488643667673 2.3753240247903173

Pt -0.0505052864948111 -1.3756696362276670 -2.2168653427992897

Pt 1.5177089451431114 2.3569846002407835 0.0639115933815545

Pt -1.2460294383881487 2.2998756204839697 0.0634913030798284

Pt 1.5177089451431114 -2.3569846002406458 0.0639115933815545

Pt -1.2460294383881487 -2.2998756204839785 0.0634913030798284

Pt 2.3626318746688342 -0.0000000000000020 1.4424247542465438
Pt 2.2885376725207842 -0.0000000000000020 -1.3459459015277548

Pt -2.1650385043171769 -0.0000000000000020 1.4534490772861832

Pt -2.2798289650605077 -0.0000000000000020 -1.2704850211294134

Pt -4.4287770458454547 -0.0000000000000020 -2.7371132125099518

Pt -0.0961513342259933 2.6655863031462772 -4.5237313630850400

Pt -0.0961513342259933 -2.6655863031462839 -4.5237313630850400

Pt -2.6758088402362534 4.4136318281199660 -0.0605938273351626
Pt -2.6758088402362534 -4.4136318281201268 -0.0605938273351626

Pt 4.4664772722243011 -0.0000000000000020 -2.7780210736200437

Pt -4.4616663294307788 -0.0000000000000020 2.6487092218021564

Pt 0.1412023663350727 4.7412616612327900 0.3367859540721948

Pt 0.1412023663350727 -4.7412616612328042 0.3367859540721948

Pt -4.6202031084798811 -0.0000000000000020 -0.0124926898154973

Pt -0.0071743510907466 -0.0000000000000020 -4.6261702276410555
Pt -1.5988618089770943 -3.6929746990958816 2.4065559016584386

514
Pt 1.3582529181237637 -3.7278787950261614 -2.4989459123304596

Pt -1.4222355821466806 -3.7174489662917325 -2.3898988195601643

Pt 3.8649332003157477 -2.3855847975980544 -1.2660886285651747

Pt -3.6257645834098065 -2.2870085522625412 -1.4563553634694431

Pt -3.7311301748823023 -2.2827119765951189 1.3484201771994910
Pt 1.3582529181237637 3.7278787950261569 -2.4989459123304596

Pt -1.4222355821466806 3.7174489662917289 -2.3898988195601643

Pt -1.5988618089770943 3.6929746990958798 2.4065559016584386

Pt -2.3403192139116058 1.3723787712961180 -3.7484157919209076

Pt 2.2300529982767303 1.3999314058675849 -3.7335017737513576

Pt -2.3403192139116058 -1.3723787712961195 -3.7484157919209076

Pt 2.2300529982767303 -1.3999314058675816 -3.7335017737513576
Pt -3.7311301748823023 2.2827119765951056 1.3484201771994910

Pt -3.6257645834098065 2.2870085522625421 -1.4563553634694431

Pt -2.3444911047864889 -1.3765204579984076 3.8795666070707790

Pt -2.3444911047864889 1.3765204579984012 3.8795666070707790

Pt 3.8649332003157477 2.3855847975980500 -1.2660886285651747

Nb -0.3918401658324994 2.9649457890719444 4.4488976690203037

Nb -0.3918401658324994 -2.9649457890719533 4.4488976690203037
Nb 2.4797267132856904 4.6192958891560041 -0.5958269759915825

Nb 2.4797267132856904 -4.6192958891561702 -0.5958269759915825

Nb 4.7751002061653036 -0.0000000000000020 2.7521883855686555

Nb 4.5360371166610083 -0.0000000000000020 -0.1435638501535678

Nb -0.1526707815136266 -0.0000000000000020 4.5380886643461382

Nb 1.4180064009791316 -3.7029686030023243 2.4174168501272559

Nb 3.7337190242843104 -2.3339484629692211 1.4713979665600709
Nb 1.4180064009791316 3.7029686030023208 2.4174168501272559

515
Nb 2.4694128305583831 -1.4748228296793953 3.7088449579180480

Nb 2.4694128305583831 1.4748228296793742 3.7088449579180480

Nb 3.7337190242843104 2.3339484629692175 1.4713979665600709

Pt49 Nb6 configuration: ∆E tot = 0.00 eV

Pt 2.1094268011551836 -2.5972680971559243 -2.3648075933821731

Pt 3.8384152489680243 1.2375532419721929 2.3084010793804461

Pt -4.4253933091150124 1.0402183511543583 3.2932684530996608

Pt -1.6628881456581017 -2.2083002106962071 5.0738762230183401

Pt 2.7490766634086876 -0.2901356483076539 -3.7356130757598764

Pt 4.0760947621759849 -1.1765270966756487 1.1593650035967331

Pt 0.3212196209681980 -0.4588472398117877 4.7769518957925907
Pt -0.1712502891799933 2.0741975492966183 3.9102838436018628

Pt -2.2258892835834612 -1.6721390927126556 -3.5320357938565001

Pt 2.4346474821229545 3.8412090152787566 -2.3556530382508702

Pt -0.9581038139084618 3.4291592309725156 1.6969972769080408

Pt -0.4420976234358552 2.9710602002877033 -5.1314639418443058

Pt -1.2990918914099603 -4.0184793113725075 0.1731663302430501

Pt -3.9933196704101581 -1.0045257750323804 -1.4854266972994645
Pt 2.7809162449610865 -0.9548340571725563 3.5511930524781459

Pt -3.9923771385280684 1.6945679738626558 -1.2520139905171710

Pt -1.0516795887374299 -1.2584070366423787 0.2220598070665569

Pt -0.5108087925282038 -3.1064003769222981 -2.2026767514214050

Pt 4.0085477814086365 1.6462322873703972 -2.2212872294327388

Pt -3.4842020949613488 -2.4932368185635707 0.6262620138544532

Pt 2.2516891081976436 1.4384499055110715 4.3709550933737784
Pt 1.5835611556244751 2.7104703659672276 2.0458441582523985

516
Pt -1.9118988844012272 3.3834621515872114 -0.7851458182450084

Pt -3.3891326515632203 -1.4425960279326688 3.0298724718092331

Pt 0.7543891008282976 -0.2663561969226097 -1.8156730139941539

Pt 1.1950321969052915 -4.5099544996221841 -0.7055198353188368

Pt -2.3758320159366217 2.7066557419047537 -3.2894356767049531
Pt -3.9158055078817986 0.5023320362862177 -3.7010702691923405

Pt -1.4052667054863850 0.5208191847384841 -4.7025249087275593

Pt -2.1979167577225631 0.4239486252786268 4.7177180837459991

Pt -3.0626226106516992 -3.4599383910307444 -1.7587377331930931

Pt -3.5343828923766161 2.6734725539779620 1.1706229738347043

Pt -2.4341402195264950 -3.9658296573209406 2.6334617915039340

Pt 0.8145652185528293 -0.1521902658109447 2.0075984186009732
Pt 3.7275834036308688 -3.3711077365287960 -0.3357317576213917

Pt 5.1459575487162281 1.0219999628617720 0.0197990268354546

Pt 1.1445616473927933 -2.9927975181894380 4.2846457166336993

Pt 2.9629493030276262 -3.2657846850939696 2.3179904929981463

Pt -0.2679112704761660 1.3859394870137336 0.0003597294612223

Pt -0.2174459739211926 4.1323422123362707 -2.6766211124955719

Pt 0.8295419545236419 3.8314323785940032 -0.2463380122796053
Pt -2.6043796962822405 2.9207138488558315 3.7260753618702278

Pt 0.5617369307126264 -4.2973063725125833 1.9806570420466911

Pt 4.0273985035678157 -0.9080868895073378 -1.4998499081980723

Pt 1.0792509519842874 0.7498375741766220 -5.5458567947232771

Pt -4.2798342185523879 0.0247507641213433 0.9102686246637817

Pt 3.1414055476403409 2.3005920231253651 -4.5950242357056350

Pt 0.3700417013915064 -1.4810624173043274 -4.1425423393511220
Pt 3.4152679412257481 3.1482556679046652 0.1172040908701228

517
Nb -0.7199733857418783 -2.2167389869320986 2.8022866478061745

Nb 1.0091280161105485 1.9678051966379924 -3.2996082018777408

Nb 1.5648326429757300 -2.2845072735101817 0.3801110288100466

Nb 2.5507823341919087 0.8054558399910136 -0.0086784830148237

Nb -2.0341374577097344 0.8275366847159661 2.1261022848216289
Nb -1.8802379226826815 0.4428876235030627 -2.0440618045704140

Pt49 Nb6 configuration: ∆E tot = 1.39 eV

Pt -2.2817961663476036 -2.7707147070837559 -4.2735466261822017

Pt 1.9551812385090277 -4.0468914293628879 -1.2388121865955162

Pt -0.5816114531200464 -4.9977901359922621 -0.5643177953497434

Pt -0.8073195538685377 -0.2803982416446056 -1.6318349510332757
Pt -2.5548265448299783 2.2179355506874279 -2.4330803847478886

Pt -0.5465933828196649 1.4754269749042681 -3.9860909780565446

Pt -2.6792449649591812 -0.1468525824812739 -3.5723245057022051

Pt -4.4567443612065460 0.6100265310796702 1.2908200020504177

Pt -0.3732801827479614 -0.0290432055649044 0.9668105208097832

Pt 2.3051483871646359 0.6773662317834253 0.1339482930414926

Pt 0.7910495926628732 -3.4507396022525265 1.1030288736372389
Pt -3.7538687351507316 -2.1598636569274996 -2.2325998907713465

Pt -2.3603525617877774 -2.3738112761691648 4.5086959852461002

Pt -4.1804757011192208 -3.0681981069495388 2.5863382179540158

Pt 4.7252509242982086 0.4581491085749023 -0.9412069814534538

Pt 2.8671129029193576 3.8419350850758880 0.9660067301637492

Pt 4.2668943251952500 -0.6159869094718582 -3.3119449721506906

Pt -3.9610327840459543 3.2938408076745720 1.2541529688796595
Pt -2.6264916604709323 -4.5913258373250594 -2.3164407935199516

518
Pt 1.0201458528395340 4.6082023550978031 2.7569725902285103

Pt -0.2104630183790443 -1.1708654784923462 -4.1511493542273774

Pt 4.6476883207343436 -1.0541562387147119 1.2287176462696232

Pt 3.7115516723431039 1.9349349157079292 -2.8783544273434454

Pt 4.7371244351989503 3.1106457274844947 -0.7095422245100229
Pt -0.3057727033773711 3.7162992880749091 -2.3726434271659040

Pt 3.7935996096467339 0.1848606182115888 3.4498091883170576

Pt 3.5302918149912306 -3.5126104999886687 0.9227355833031163

Pt -4.3250007948533238 -1.8172680385687991 0.3046027204351071

Pt -1.3365826031653962 0.0963558977520895 4.4346656463587202

Pt -2.7155281338096553 1.7985428972040172 2.9995752725496136

Pt 2.0585870197382410 -2.0196297579183105 -3.1189882763253887
Pt -4.0816564278838996 0.3011550653869379 -1.2973552400947232

Pt 1.9015970877235000 0.4085347743401841 -4.1817807213015135

Pt 4.4293377507967193 1.6704140055675927 1.4506988844722846

Pt -3.6306767621408933 -4.3808411290401361 0.2040370376180325

Pt 2.2774240529754768 -1.5657836364669757 2.1650718621876952

Pt -1.6986846799309485 -3.6019432209046167 1.8331048493694420

Pt -0.1000171889182150 -1.9915440025943250 3.1483565430773344
Pt 2.3533262723080104 3.9678591198163691 -1.6716372794969123

Pt 0.4037034371953757 4.4221324635575163 0.0857955861983663

Pt -2.1836742611124715 4.0291007093582190 -0.5834351652353353

Pt 1.1502914460525635 0.3280736837170382 3.6077040647581771

Pt -1.4488068505573177 3.8875823821129831 1.9794547141967707

Pt 1.6350787476453381 3.1181183526265235 -4.1509295244388147

Pt -0.2820801301331097 2.5306256623167531 4.0258066393816501
Pt -0.1798717292416251 -3.3941895272001128 -2.7041569902956648

519
Pt 3.9165648980443262 -2.0939930898335328 -1.1678521651141898

Pt 2.6674832287395400 2.5752232372609303 3.3819109294624314

Pt -4.1238550200232567 -0.2647556846747685 3.9786177848561795

Nb 1.2568687583664944 1.6505969178930986 -1.9999689740830098

Nb -2.3539523754200782 1.5667577512874820 0.0921129020916362
Nb 0.7556418334642109 2.3054080026665664 1.6690629173432052

Nb -2.5196779164291594 -1.0462782121201437 2.2785734581993711

Nb -1.8109862578899079 -2.7565827882209684 -0.6744245182817741

Nb 1.3139812961867656 -1.5840471212574281 -0.6427700589798979

Pt49 Nb6 configuration: ∆E tot = 2.44 eV

Pt -2.5849064263742267 -2.6493364361438974 -4.3206656170577338
Pt 1.5337195516533892 -3.7715918752630739 -1.1297236816191900

Pt -0.9670584104945604 -4.1687250147858563 -0.3291016899145288

Pt -0.1035890863056475 -1.0629292202342446 -2.0151416413393299

Pt -2.7775532002441992 1.9106111066784053 -2.9778398395529297

Pt -0.5758114199774128 1.4923921156325646 -4.4647212438798007

Pt -2.7014116416493872 -0.0251650621796027 -4.7635024910415575

Pt -4.5628405407635837 -0.0848865273650778 1.7112131314759982
Pt -4.6488294546553703 -2.6362349266129770 2.3738202178615273

Pt 4.9422415400309792 0.2892797693515559 -1.0887740599945290

Pt 2.4493681454525271 3.8624854540247475 1.0209201862656558

Pt 4.0464056639991783 -0.7350521723406578 -3.3213492182187343

Pt -1.4040807391563952 1.0386856050405242 -0.9322373550027311

Pt -4.2082971963527500 2.4744164191715883 1.3446480287624623

Pt -3.0249214049774205 -3.5578811275336792 -1.9429689074062602
Pt 0.4566546822167274 4.2525186929613925 2.6549926458922037

520
Pt -0.3102877649854184 -1.2973043750432609 -4.6592308011013612

Pt 4.5410119105396598 -1.1665519657782406 1.1915041812738061

Pt 3.4917940885655558 1.7814590250365943 -2.7594172428108337

Pt 4.3744431563948503 2.9486422320138121 -0.5228771203087069

Pt -0.5792610343873227 3.4831130810639510 -2.4653286173866427
Pt 0.7079483034637243 1.9487338778229972 0.4129733648299209

Pt -1.8830122230651400 0.7325441491839491 1.5946394898727729

Pt 3.9789476199046350 0.4424459741340545 3.3587032778878005

Pt 3.2022167515878044 -3.4760531197450040 0.9528306800196783

Pt -3.9928611245939454 -1.7349239611128260 -0.2776992153372865

Pt -1.3585304833114278 -0.2457166642231976 4.6769308047631606

Pt -3.1118879051671113 1.6317923640461536 3.6725472609454020
Pt -1.2085268942460834 -1.5204476003431955 0.4057326422996329

Pt 1.8608030730479910 -2.2086434923587288 -3.3502647669933348

Pt -4.0636565355980450 0.8379828276721777 -0.8154711464062859

Pt 1.8411089462131662 0.2533750756912085 -4.4415901492119509

Pt 5.8146706121470473 1.1761221071557533 1.2680453310159476

Pt -3.4770705071925896 -4.1907103149751004 0.6101979419752156

Pt 2.4633315480615785 -1.7600632745869533 2.8563017298951863
Pt -1.3469275823298523 -4.1532495454960303 2.3469168780274012

Pt 0.0383178722551635 -2.3779774251406107 3.8306895288523197

Pt 2.0120446226916604 3.7601502170036221 -1.6253672666729295

Pt -0.1927750034794703 4.3233358527425771 0.0430366890176835

Pt -2.6079477294203794 3.3137906869654490 -0.6474724644534181

Pt 1.4024596298305523 -0.0206107775583977 4.6242923115931935

Pt -1.9068942488017684 3.4326991676050462 1.9724019829931059
Pt 1.5468959078929154 2.9892108135282949 -4.1771588581399914

521
Pt -0.4459979412493840 2.1019316934236900 3.8993739507648937

Pt -0.4370977011554512 -3.5450976656404616 -2.8811739778592855

Pt 3.5639862345758697 -2.0526510238667730 -1.1660947469833796

Pt 1.7020179548965115 -0.4982411178024106 0.0204725513595935

Pt 2.1166975941839672 2.2531009918779614 3.1893872453364329
Pt -4.0317295191205069 -0.7765114893073122 4.3111476967026849

Nb 0.4301173758718077 0.0969994091453255 2.3548844552265367

Nb 0.9524535760984524 1.3544801571411340 -2.2530610394154493

Nb 3.3242211229527570 1.2500534924795981 0.9992306108655024

Nb 0.7079086579015855 -2.9907687694358533 1.2665260487674799

Nb -2.6540624499159229 -0.9426812185621998 -2.3658921916484399

Nb -2.3339599734592893 -1.7823461951585036 2.7297644852134226

Pt49 Nb6 configuration: ∆E tot = 4.77 eV

Pt -0.0274046035950421 1.1963886224651665 2.2511141487232642

Pt 0.1533298241900032 1.3329756066681666 -2.0611554562718402

Pt 0.0471378819632749 -1.3907119881682357 -2.1201106005285082

Pt -1.3111186037973239 2.1692241803204992 0.0812181299290945

Pt 1.2727570632114380 -2.2038742862390954 0.1469604699668748
Pt 2.2390043456868818 0.1506089401775350 1.1398668346003611

Pt -2.2241100226459003 -0.0875690501426898 -1.2307256467286209

Pt -4.3599104008448091 0.0556531891043214 -2.7797493491268517

Pt 0.0137320456145604 2.7579370713917730 4.3603811699507364

Pt -0.0455425615167999 2.6713073030262886 -4.3494249711055408

Pt 0.2152676311934205 -2.7757928029599603 4.6212200992923957

Pt -0.0196048273535494 -2.6943977602433877 -4.4441345886777590
Pt 2.7020998181319622 4.6309475056741016 0.0571019984508384

522
Pt -2.7337950526528947 4.4198437401621664 -0.0465104792686630

Pt 2.7353466576803709 -4.3751022739187633 -0.0492246824934094

Pt -2.7670226417001187 -4.6242892100013826 -0.2470212424943438

Pt 4.3450309657102597 0.0008865202074723 2.6801949209956870

Pt 4.5179338790294725 -0.1281106769604197 -2.8847858089026870
Pt -4.6260972698662357 0.2475369603726265 2.7645169043957893

Pt -0.0322496418858613 4.7217156902932373 0.0032219262439771

Pt 0.0062733611605341 -4.6417226383938868 -0.0411386531356616

Pt -4.6734287285091947 0.0219873683318709 -0.0241403129916366

Pt 4.6270984264407939 -0.0549305122990771 -0.0849984685478450

Pt 0.0161762305607463 -0.0126703883343025 -4.5416487004798149

Pt 0.0188356427621546 0.0006681743771417 4.6784174665022915
Pt 1.4614728222143725 -3.7771232472373297 2.3422694457446518

Pt -1.4009999809364919 -3.6708329860639175 2.2394245268928512

Pt 1.3988917042774405 -3.6991579105572279 -2.3243606476357375

Pt -1.4383562508290366 -3.7868764170488793 -2.4339109010717852

Pt 3.7597617810658925 -2.3716893100495633 -1.5006533504899582

Pt 3.7100085002550718 -2.2919784662644420 1.4015000130922037

Pt -3.7790715477786523 -2.3217778573681294 -1.4729138609081542
Pt -3.6952765010774802 -2.2631396471892105 1.3794704224928009

Pt 1.4410941452856421 3.7485055075143281 -2.2717930560741726

Pt 1.3954939309831371 3.8251509468791416 2.3308210118973491

Pt -1.3942529734842084 3.6882991736572870 -2.2541322232612693

Pt -1.4329341159667826 3.7235099794127318 2.2639653747058732

Pt -2.2511571369529775 1.4009040493664673 -3.6554341077982171

Pt 2.3373310413083419 1.3995461919007164 -3.7238566567007529
Pt -2.2797207144538474 -1.4179020509696776 -3.7101784902517103

523
Pt 2.3330148289427655 -1.4780977295327022 -3.8290732507313265

Pt -3.8074898749921893 2.4218426342446535 1.4040946832772598

Pt -3.6985008480883619 2.3026149263584119 -1.4103952562576105

Pt -2.2762570564029145 -1.3779846055419425 3.6565858646498768

Pt 2.3815674703271275 -1.4124621974950600 3.7541186534356354
Pt 2.2908112018242575 1.4271811607150213 3.7010983275741856

Pt -2.3266201647262958 1.4714110555015689 3.7384394787167992

Pt 3.6551818453747766 2.2539799967137171 -1.3888262892940690

Pt 3.6920383586212955 2.3970657719218607 1.4310502663722930

Nb -0.0452036893362599 -0.0545509472752040 0.0604968697579507

Nb 0.0790932008258714 -1.5267400522785119 2.5178094453491244

Nb 1.4307974609323357 2.5384185003097954 0.0650443977039231
Nb -1.5426623151115197 -2.5059598369536906 -0.1080020647636055

Nb 2.4462062118493844 -0.1219520220091046 -1.5799291999058194

Nb -2.5340007529188346 0.0912861044277213 1.4978254651832783

Pt49 Nb6 configuration: ∆E tot = 6.43 eV

Pt -4.1703117725630721 2.7165774730256422 1.1335991690290210

Pt -4.3156505594551406 -1.9435991557740027 2.2819624853057876
Pt 2.0117716323495483 1.9128585277985952 -0.7459232199464150

Pt 0.1919665248426136 -4.0652067594206258 2.9829466806585074

Pt -2.3587660538057138 -1.8856718963382166 -3.6837596392088399

Pt 2.4662196145707762 1.1366002468666847 1.6662561040610699

Pt 0.3350268504577473 0.4667037884113440 -6.0675014865535051

Pt -4.1011658294664288 -1.6371321044073925 -1.5470250820410409

Pt 0.3332168554173746 0.7424694061732303 -2.4933041874019137
Pt 0.5653734778213374 -1.8758339407923403 4.1968476616255455

524
Pt -1.8879639800500212 -1.2151967522004201 3.0790287579476328

Pt -0.4137445726285064 0.6128881288862874 0.0892665895398537

Pt -2.1517555335176910 2.7110510830552266 -2.8503044989190824

Pt -4.1861245842560821 1.8702234357366405 -1.3566877503958874

Pt 0.1228392250743850 0.6124318594594956 2.7233905747676133
Pt -1.8409409877295855 3.2003826178964139 -0.2389812259915327

Pt 3.9249483151843076 -0.6215731237057797 -2.3735003492019713

Pt 2.3487367792449998 -2.3929330174409316 -3.6787940571990942

Pt -0.3827895741577022 -1.6853972668882948 -1.3547060549844143

Pt 4.6106711130148579 0.0683689131420710 0.2081118925559409

Pt 2.0299707780219318 -0.7682307344074745 -0.6301241805994759

Pt 0.5547245294180795 -1.6691688795600401 1.4937805976334106
Pt -4.2676191030916657 0.2667785242048286 -3.4734907187881232

Pt 3.0322563787087642 -1.1234334314265413 4.3878191804367557

Pt 0.0121104334454981 2.4466072976527351 -4.3883914530068839

Pt -4.2434412333661458 0.5358406959986367 3.2463544257483861

Pt 2.4292099402988310 2.6350597671051097 -3.2731553861390763

Pt 0.2159124312922963 3.5582237911335475 -1.9390244623461494

Pt -1.9488060612360312 1.3764992293447353 4.3642952044668331
Pt 1.9423742471495855 4.5168393543326957 -0.0581830889418125

Pt 0.3945963687617234 0.4685159546125348 5.3461099953428910

Pt -2.2692862914914729 -3.6711386006424576 -1.6300289915485944

Pt 4.0618290351091542 -2.5527581192869846 -0.2592754585117614

Pt 4.7461186097715267 0.3856392598508926 2.9238944710329307

Pt -2.2669805442299422 -3.8529466647295934 2.2015860075117288

Pt 2.5882941715987853 1.4681369484236957 4.2129121837314667
Pt -2.0065017805721412 0.5592642120421963 -4.7617367516306022

525
Pt 4.5090905187589794 1.8737890411128906 -1.8780408878730366

Pt -4.1564525729935768 -3.7030922000101256 0.2906184978803357

Pt -1.8409415239248301 3.5755018990548328 2.4424388273791822

Pt -4.3898659321322286 0.0015990996516586 0.5187435242773191

Pt 0.2819893854873908 2.9592407502287208 3.9698882824907358
Pt 1.7816521214336762 -3.4152636466375483 -1.3440611135785996

Pt -0.1002238570116743 -3.5915554426847152 -3.2879670610932790

Pt 2.5504972492155940 3.7173815206650196 2.5717987849679602

Pt 2.2102724364733133 -3.7960527888237507 1.2769104160994498

Pt -0.4075021616048572 -3.9645994783088625 0.2766232901514982

Pt 4.1493858762783997 2.8848665055164608 0.5242400859897387

Pt 2.4013828009695954 0.2170781667781416 -4.3268893569595352
Nb -2.3255759242286063 -1.9607851628751620 0.4758546019555112

Nb 0.1596964498178989 -1.1622557188793723 -4.1369906126639027

Nb -2.1973300715530302 0.2769447598312737 -2.0329031360812975

Nb -2.3187606747865077 1.1574304415254131 1.7635188296974678

Nb 0.4379179692693765 3.0155290703233866 1.2775903609915604

Nb 3.1484490605943005 -1.3934968846004028 1.8843627283296958

Pt49 Nb6 configuration: ∆E tot = 8.01 eV

Pt 0.7376861559362056 4.2776801261366240 2.7150977612492118

Pt 0.1394142974038630 -1.4718792932410083 -4.7275244322496945

Pt -2.3661530945736020 -2.7357732366811747 4.5310419802791557

Pt 1.2621219353554125 -0.5977117706776398 1.6333742149344634

Pt 0.1416053578787625 1.7636377636718890 1.1946832376930705

Pt -1.1730366838870310 -1.7968730770860533 0.2739951490988522
Pt 0.6451784439926940 -0.1650680968917500 -0.8459780904007056

526
Pt -2.2923275295179737 -2.5685998109220436 -4.3518672489569354

Pt 1.7107973353102495 -3.8270617609985380 -1.1405976440940715

Pt -0.7521647401007641 -4.3013073255340606 -0.3840027890475137

Pt -1.5849876684842428 -0.6529231204227899 -2.0237799482751906

Pt -2.9026889765687516 2.0316015827099618 -2.8110406302450310
Pt -1.0113987339495452 2.3893273363401106 -4.7942422980458588

Pt -2.1399151017817362 0.0542662298227951 -4.5673989929113787

Pt -4.4617703895955687 0.0337723064053192 1.6659978134337341

Pt 1.1649660247473463 -3.3387585174533485 1.4461128280898810

Pt -3.9718157172125190 -1.0098485927909224 -2.8407723841747408

Pt -3.8314074984933741 -2.4574092972197463 2.3444921429625065

Pt 2.7368539976414921 3.9751294537505770 0.9873200778374506
Pt 4.6232818228810997 -0.9902157654435144 -2.7873152635361431

Pt -3.9131270688658448 2.5379884195913092 1.0741358144368580

Pt -2.8100525810237516 -3.3768400025267540 -1.9641627055462147

Pt 3.5917059740868380 1.4727910120480003 -2.5468453836040363

Pt 4.6898493716998528 2.9512577805243261 -0.6063170619935642

Pt -0.4567791015456891 3.3090066553265642 -2.3678948323873352

Pt -1.8715634666937546 0.1695236674353650 1.7326961150443627
Pt 3.9390907408163285 0.2562023037605541 3.8979727705523270

Pt 3.6995231916641158 -3.0669456924974328 0.6505162084934432

Pt -4.0241426179154418 -1.7718886154293956 -0.2260159901739053

Pt -1.2914439194830265 -0.2327921295409028 4.4474027242731751

Pt -2.8865467919779606 1.7866255855665343 3.5013657499792576

Pt 2.2681206711717321 -2.5764926569510664 -3.4892176567614679

Pt -4.3865486559335212 0.7439132343165453 -0.8825917823847925
Pt 2.4112466762694025 -0.0583695742760058 -4.3608092548172124

527
Pt 4.6968167865495500 1.6240575249335421 1.6954789956163840

Pt -3.2993364609464182 -4.1795091195962959 0.4560457235843250

Pt 2.7235877911296908 -2.2988730342556125 3.4298408950630237

Pt -1.3915700271054419 -3.5998928283414728 2.1617082796468741

Pt 0.1206999187809032 -2.4630956126033170 3.8973834529329974
Pt 2.1683078704774941 3.5511314394776399 -1.6536237674473706

Pt 0.2029717331027740 4.1671286962736014 0.0529874455520916

Pt -2.3786122217610002 3.9287674265797903 -0.6627956066797077

Pt 1.3133739381678453 -0.0646267144807582 4.2136990076795513

Pt -1.7124845792561814 3.6160326113034897 1.9605551102778809

Pt 1.6125337192393971 2.6721558898913655 -4.0774812333335575

Pt -0.2515937486660647 2.0765190533114519 3.8742620520687563
Pt -0.2377537859971113 -3.2613491830588459 -2.7783571124950011

Pt 2.3202353380431928 2.2178709742488336 3.0242379006290894

Pt -3.8665122682097008 -0.6060568568662803 4.1523139217508032

Nb 2.4781930709459941 1.5841494938774985 0.0190257406356390

Nb -1.9357306634468017 1.4765299968570615 -0.4676318654613562

Nb 2.7188203398094997 -1.5149408269535400 -1.2405246717854932

Nb 0.2380155185051677 0.6689664557274535 -3.3600512286517694
Nb 3.7399047835345156 -0.7879260285841299 1.6549364130592448

Nb 5.1065612878513944 0.4369955214361965 -0.7298396513943567

Pt49 Nb6 configuration: ∆E tot = 9.18 eV

Pt -0.6088293743513953 1.6660112291343800 2.0031233694227142

Pt -0.9725282262566841 1.9356990415373578 -2.1065714302449381

Pt -0.0900548487442543 -1.0799171757580284 2.0719300195020471
Pt -0.2992299062894332 -1.1299865422008939 -2.3028421499484479

528
Pt 0.8492583598470187 2.5888603135569772 -0.1688842482262085

Pt 0.8336755837330694 -2.3592223252976270 -0.1213681059469580

Pt -1.8332266092702327 -1.8708055739556986 -0.1434102335241982

Pt 1.9142866785073167 0.5182393193617255 1.3822843666817430

Pt 2.0964285856371769 -0.2356979001761247 -1.1588098462260732
Pt -4.3647622966726916 -0.6588074436228689 -3.5999466050990052

Pt 0.2033593972281480 2.5515522416737739 4.3419305240239732

Pt 0.1733094812919846 2.2318234709872815 -4.4314421785968818

Pt 0.1159024248189402 -2.7702760004440536 4.3148133116843388

Pt 0.3263695426016515 -3.0423666849196405 -4.2317581716077592

Pt 2.7851819290830853 4.3947309026789911 -0.0445372308699186

Pt -2.2440226393846650 5.5296241871451626 0.4104481485200291
Pt 2.9439060095275980 -4.3278911676901686 0.1840267028907685

Pt -4.8325695736427825 -0.7571979938790990 -0.3396724428579370

Pt 4.4266339636548420 -0.1592711602866274 2.5701997032536132

Pt 4.4689203496625671 -0.1352519411170302 -2.6885378703676963

Pt -4.1904380749011692 0.0136119961678239 3.0574788397426942

Pt -3.4736158287650700 2.6492354739453905 2.2260040678502317

Pt 0.0663453208980069 -4.8595423471839005 0.0830230661951787
Pt 4.7618977008729306 -0.0353253501715732 -0.0634583666281185

Pt 0.3643674130208849 -0.4018497162506981 -4.6713328776182168

Pt 0.1989502223765136 -0.1074170543597169 4.5479460732233310

Pt 1.4658667310193685 -3.6839720224362802 2.2475547282776156

Pt -1.3264594920917898 -3.6796792011781774 2.1306769149958149

Pt 1.6642329127635325 -3.8455955205358796 -2.0859548806540738

Pt -1.1814362919761532 -3.8794047473035427 -2.1182118822871181
Pt 4.0420376615365505 -2.4555838079379582 -1.4060703771666072

529
Pt -4.2421356373133916 2.0539588678681042 -0.7709190687453737

Pt -3.6635915486232427 -2.7306531836591823 -1.8012398317186380

Pt -3.6694180159235619 -2.3959732158155660 1.5604075787443372

Pt 1.5819891833409065 3.5303210238351053 -2.5031520736903659

Pt 1.6701572262584097 3.5834720867768235 2.3457964773743853
Pt -0.7026089157022071 4.7056216129297042 -1.6203472515220658

Pt -1.0972447757884387 4.2164929195011709 2.4967508540234578

Pt -2.1014658663029002 0.7577725629405322 -4.2560171167961940

Pt 2.3240088863403030 1.1466703914746150 -3.5355315232286961

Pt -2.0935947771942067 -2.0100761782289958 -3.9969779838298014

Pt 2.4531444358343797 -1.6257127970194938 -3.4803310475059663

Pt -2.7216133820331208 0.3944855736308129 0.9076903611944926
Pt -2.1457953786218584 -1.5260394184067556 3.6749504139277214

Pt 2.3656205272099169 -1.5457024444718857 3.5573779432929920

Pt 2.4608979568170222 1.2201348646988142 3.7936576898569441

Pt -2.1020493775505344 1.1875127432913994 4.0857308480433927

Pt 3.5922097351244537 2.0944073508811698 -1.3427124821013503

Pt 3.8654330888626620 2.2049056717261180 1.3315704596177693

Nb -0.2248958086645376 0.2524291165633344 -0.1580405229482744
Nb -2.0318810528953466 2.9667754530697970 0.0799390789384646

Nb -2.8322257896311398 0.0648089363120353 -1.8135668826202298

Nb 0.4056578895206711 5.0363148006982801 0.5814774174250059

Nb -2.5029427384099168 -4.3760789006527672 0.0157663208376453

Nb 3.1285870296108089 -1.8101743374264430 0.9590894030364152

Pt49 Nb6 configuration: ∆E tot = 12.20 eV

Pt -4.6260143777314422 -2.5271336211670254 2.1358446871248695

530
Pt 2.0353273480370500 1.8113793567146947 -1.7020043649305368

Pt -0.0522612003049028 -3.0483632273454910 2.8629264301156865

Pt -2.6834355052104875 -1.6264169034478053 -2.2462261691552983

Pt 2.0509134991658393 0.8285170496879166 0.8622818812112538

Pt -1.8282982758921003 -1.5835851211558216 0.5047318184765537
Pt -4.7532334843095523 -3.0022294459825796 -1.4450797918551703

Pt -0.3007341542838640 1.8223735526610214 -3.1850292968866598

Pt 0.0715401088357264 -0.9052177474831788 4.3298176916700095

Pt -2.2979412646700488 -1.7076353197781922 3.2242045484424686

Pt -0.2324038630494891 1.4400771260146703 -0.3361961206581359

Pt -0.1388164713219788 0.3339285195848296 2.0802304516412788

Pt -3.8358300238203973 4.6284071485841158 -0.7394247783075858
Pt 0.2577477956256564 -1.9941678356808277 -4.6374283996684289

Pt 4.3568582663893469 -0.6623374448364396 -3.1300246822226030

Pt 2.4970559203814511 -2.6998393613559424 -3.2414503408486213

Pt -0.1608333840888940 -0.8391942156228120 -1.6017811990140334

Pt 4.9990441901069778 -0.3015642776924219 -0.3590572717672760

Pt 2.5052880451580744 -0.8239273087207133 -1.1261561077713000

Pt 0.9618056110913733 -1.6909973370339779 0.8172933046741175
Pt 2.3501259054557218 -1.8049983563546457 3.2219618483787058

Pt -4.3843525599568434 0.0601001975458233 2.7260321015001749

Pt 3.5830629440235309 4.2557481467096085 -2.6770637119296254

Pt 0.6835555414299483 4.4016125234241930 -2.0481412552644174

Pt -2.1367324195101864 0.9031335076873850 3.8428583569626595

Pt 2.7257644184824792 4.0725124858010009 -0.1787286400531005

Pt 0.1928197465432286 4.0413339360350040 0.6197007432715615
Pt 0.0650075350454169 1.5875167640426886 5.1603580487963621

531
Pt -2.3200514733980149 -3.9313314134801667 -0.9134231594178377

Pt 4.6183257899118733 -2.7670789035144887 -1.4678564590279197

Pt 4.1028496247859554 0.0419949946211789 2.2236039906089871

Pt -2.2768847467949960 -4.0138912985359818 1.8295601071925287

Pt 3.8257679544679299 -2.2887721563312633 1.0170113149529325
Pt 2.1940310268466230 0.7960203196250306 3.8434722705236850

Pt 4.5771574891005349 1.8266002604508331 -2.1082479099557276

Pt -4.5754694592123624 2.6772557960697601 2.3052993339069694

Pt -2.5856976884539100 1.0637024655184335 -1.6510270838093166

Pt -4.5427314201371782 -4.6207779708116838 0.6066086003464701

Pt -2.3078880754567783 3.6693695484520097 1.3544940419894911

Pt -2.5326054951961985 0.9142103264414645 1.0568172655275074
Pt -6.0966737941832658 0.5737394124228403 0.5416010273416501

Pt -0.3574882559023587 2.8156394506508908 2.9340111035040017

Pt 2.2353777128560135 -3.6657067700069783 -0.7470299703061076

Pt -0.0279325329488864 -3.3524487860718475 -2.2607881880572678

Pt 2.2154519040220673 2.9851811080938422 2.1879155194946058

Pt 2.1544789941497053 -4.1459593103124357 1.8868035498498406

Pt -0.0722624062371631 -4.1592695312269266 0.3113754792135606
Pt 4.3069153747501536 2.0922398171465222 0.5255865787797767

Pt 3.5076233079054826 1.4044265059863095 -4.6642155047138578

Nb 1.7946904071616028 -0.2022498593292292 -3.5372012982619823

Nb -1.5692560702447815 3.5446983156339504 -1.1885355194477600

Nb -4.3410218985090179 2.2264720517595142 -0.1234427936666041

Nb -4.2706422141208318 -1.1711059914586466 0.1481683056793283

Nb 1.8459098306621438 3.0709117153524392 -3.9473288838452931
Nb -1.4070037774459843 -0.3529028879804494 -3.8976815003345622

532
 Pt49 Nb6 configuration: ∆E tot = 15.90 eV
Pt 1.9475981457749696 -3.5661229832160761 -1.7692332612851434

Pt -0.2666371936874216 -0.3588782409855901 -0.9636181795122868

Pt -2.5302625023439931 1.7821122173071864 -3.1877850698900034
Pt -0.4870551846613781 1.9073127905126075 -5.0746247553127883

Pt -2.4116596531917680 -0.0650534957582073 -5.2495968643422426

Pt -4.3849198898531991 0.1548669651967050 1.4326944679785012

Pt 1.2572437408656412 -0.1814832392856266 1.9075077708959978

Pt 1.0701785645185651 1.6363773524905831 -1.8681149250243354

Pt 2.5756858299944780 0.3377540751259166 -0.1979185957099704

Pt 0.9790437331409206 -4.3586179855538640 2.2088875735043358
Pt -3.4385404213300235 -0.9401519779935376 -2.9294438547641506

Pt -2.5576549934583626 -2.4760776182671127 4.6216059807986856

Pt -3.6796791190506526 -2.2614824457941016 2.2251203706656013

Pt 4.9236824460402975 0.5664677776406980 -1.1863314501709030

Pt 2.5589618427115766 3.7068974545630762 0.7001647551632088

Pt 4.1670935445230501 -0.5180391266001584 -3.5599915789642922

Pt -1.8998450509032296 0.7806687531689694 0.7523738059048183
Pt -4.0942960909920512 2.7783916798675414 0.9366448900942798

Pt 0.6810013324100564 4.3190995941464241 2.3678889012184441

Pt 4.3001895144974558 -1.0371122054474433 1.1425225298716495

Pt 3.5616359878154440 2.0318452105448865 -3.0250592946163182

Pt 4.4938186871742491 3.1859623144621447 -0.8790865801333810

Pt -0.4416199882997548 3.5466043088584649 -2.7745146035623152

Pt 0.4314611556781726 1.9699711872385699 0.6746649795714260
Pt -1.0682660268229456 -1.2274425495837569 2.1951565125201369

533
Pt 3.6884305914168265 0.1693820311541590 3.3732359999767083

Pt 3.0960512917612077 -3.3763226968195146 0.7645959226071083

Pt -4.5345830357319326 -1.6359022592330497 -0.5886107451203829

Pt -1.4582285442156349 -0.0303991473902420 4.4494374734783779

Pt -2.8880039224710772 1.7518499115530510 3.0980784884584778
Pt -1.9954538118432539 -2.0651136232888381 -0.1209932488726283

Pt -3.9462479261699088 0.9489178023430463 -1.0853649858658716

Pt 1.7491767277148909 0.4756210629367666 -4.4068079550528605

Pt 4.3480805837061727 1.7159618478810181 1.3046458015877189

Pt -3.5048850620280434 -4.2766204591002870 0.4578730721176155

Pt 2.4742908674298518 -2.1836011476546138 3.0925667782004864

Pt -1.7579825677969496 -4.2488173708744492 2.7615152162378904
Pt 0.0244987452953834 -2.5883925106759453 4.0952120305746806

Pt 2.1423458189371103 4.0580037773693354 -1.8966428255325869

Pt 0.0085793699925402 4.3752825846325569 -0.2773925210455618

Pt -2.2603471390762793 3.0671817113783839 -0.9390877773303205

Pt 1.1828263615464549 -0.0756551175804396 4.4367746212389196

Pt -1.7214229918871582 3.6186987084023507 1.6616940914065108

Pt 1.6869786664648472 3.2667325297060041 -4.4251829482996268
Pt -0.2834518160978435 2.0811955768460728 3.4415262917560852

Pt 4.3515715665647239 -2.1602766976416778 -1.2773077844770373

Pt 0.6756776178269289 -2.4687235427945500 0.3592736628454046

Pt 2.2976812956853307 2.3030030286710281 2.9912168539662729

Pt -4.0967400915389245 -0.3957382040989336 4.0208815721738436

Nb -1.9391968545338103 -2.4644597387758869 -4.4059377312823553

Nb -0.9522331537958509 -4.4186382331688643 0.4895641717798552
Nb -3.1536186088312150 -3.3752683620483741 -2.0524947850012496

534
Nb -0.6536631687493101 0.0295983660913771 -3.3747798886557150

Nb 2.1949871307617257 -1.0745506462285455 -2.2055854781733388

Nb -0.4622763508869016 -2.7368189942292394 -2.2418168985953799

Pt49 Nb6 configuration: ∆E tot = 21.19 eV

Pt -1.3561661560437781 2.2637535188262827 -0.0000000000000023

Pt 1.4483021968456231 -2.1840787641882722 -0.0000000000000023

Pt 2.2613220571375861 0.1147554383097568 1.3954190578323402

Pt 2.2613220571375861 0.1147554383097568 -1.3954190578323447

Pt -2.2140343308265282 -0.1645631175701691 1.3312786680847988

Pt -2.2140343308265282 -0.1645631175701691 -1.3312786680848081

Pt 0.0082021955348201 -0.0109084363644026 -0.0000000000000023
Pt 0.0082143089020241 1.4492819857498054 2.2124247903764411

Pt 0.0082143089020241 1.4492819857498054 -2.2124247903764411

Pt 0.0007831060217935 -1.4174873445985172 2.1768897385299573

Pt 0.0007831060217935 -1.4174873445985172 -2.1768897385299670

Pt 1.4655388990445726 2.3745014733451475 -0.0000000000000023

Pt -1.2457088482638865 -2.4666164376458415 -0.0000000000000023

Pt -4.3817447348751566 -0.0200520859595233 -2.6841055904845970
Pt -0.0301413318386667 2.7279142077086158 4.4931393650633602

Pt -0.0301413318386667 2.7279142077086158 -4.4931393650633646

Pt -0.0487128600908287 -2.7405905934526551 4.3413110923451494

Pt -0.0487128600908287 -2.7405905934526551 -4.3413110923451592

Pt -2.8136616400423304 4.4410760859396712 -0.0000000000000023

Pt 2.6581319788599997 -4.4000386761974246 -0.0000000000000023

Pt -2.8292537911771851 -4.4710203265492501 -0.0000000000000023
Pt 4.4578469729099508 -0.0455879379792227 2.7774719513486299

535
Pt 4.4578469729099508 -0.0455879379792227 -2.7774719513486419

Pt -4.3817447348751566 -0.0200520859595233 2.6841055904845894

Pt -0.0728956115558417 -4.7531114279872195 -0.0000000000000023

Pt -4.6317231988149956 -0.0045101937190030 -0.0000000000000023

Pt 4.7401169314833203 0.2735212846986613 -0.0000000000000023
Pt 0.0205097738738496 -0.0312896504872225 -4.5266113199326288

Pt 0.0205097738738496 -0.0312896504872225 4.5266113199326190

Pt 1.3422967367348040 -3.8120215479008230 2.2875844295596002

Pt -1.5587512287936833 -3.7905327880783455 2.3054032506089466

Pt 1.3422967367348040 -3.8120215479008230 -2.2875844295596055

Pt -1.5587512287936833 -3.7905327880783455 -2.3054032506089586

Pt 3.6919369194591281 -2.3159443470375560 -1.4176933668006289
Pt 3.6919369194591281 -2.3159443470375560 1.4176933668006244

Pt -3.7830251837072644 -2.3650642728351468 -1.3920882646123856

Pt -3.7830251837072644 -2.3650642728351468 1.3920882646125423

Pt -1.2737010423979920 3.9945489316173379 -2.3018101554510526

Pt -1.2737010423979920 3.9945489316173379 2.3018101554510428

Pt -2.2886281902549155 1.3908112929172636 -3.6593282162774123

Pt 2.4522436195395900 1.7000808993375431 -3.7170769220142059
Pt -2.3492853498224373 -1.4556977886522593 -3.7303624439368788

Pt 2.2593520843986989 -1.4612683786873957 -3.6792074466888343

Pt -3.6572939172592878 2.2535491409444850 1.4268495484790340

Pt -3.6572939172592878 2.2535491409444850 -1.4268495484790384

Pt -2.3492853498224373 -1.4556977886522593 3.7303624439368743

Pt 2.2593520843986989 -1.4612683786873957 3.6792074466888320

Pt 2.4522436195395900 1.7000808993375431 3.7170769220142006
Pt -2.2886281902549155 1.3908112929172636 3.6593282162774079

536
Nb 2.8444956330576980 4.6675710857619599 -0.0000000000000023

Nb -0.1693854152543672 4.5593084294484498 -0.0000000000000023

Nb 1.3189002029340309 3.6573596446904539 -2.4034938431506294

Nb 1.3189002029340309 3.6573596446904539 2.4034938431506196

Nb 3.7489158011184771 2.1870745042791944 -1.4917856264853806
Nb 3.7489158011184771 2.1870745042791944 1.4917856264853762

Mo55 configuration: ∆E tot = −13.32 eV

Mo -4.4478687396142966 -0.1882054846139631 -1.7868392446989780

Mo 4.3830102128463491 1.4255141773976234 -0.1340108717887318

Mo 1.6513723368810531 -2.7875518825993364 1.8275856318961026

Mo -2.1631690681787408 -4.5983478515391960 -0.6234272429857715
Mo 1.9814410268059479 1.6881738643559139 1.6911837393006710

Mo -0.7448816059712549 -2.6218585986793794 3.6063732761610030

Mo 0.5358567029789825 -0.5034163242871124 -2.7795705845523511

Mo -0.5410510344565100 1.8433597279096254 3.4742435832179570

Mo 1.5822982642567425 -2.7257746757377461 -0.9347010741658099

Mo -2.0875726024858565 -0.2815558746975793 -0.9378630299720534

Mo -2.1104485549925869 -0.4227611176417536 -3.6607736244432019
Mo -0.8648451654785276 -2.5821581815121366 0.9264480189644821

Mo -4.3248240941142519 -0.0176103386694173 3.4958789112897684

Mo -4.3916039206783442 -0.0687543501549506 0.9692016118971232

Mo -3.2156801319606041 -2.2470902158673791 2.5695345696773941

Mo 0.7761627058862999 3.7112171977910879 -2.7381517730110509

Mo -1.6617825569691949 3.9215563533880804 -3.5512447030122525

Mo 4.3400826469671276 1.4230023920352330 -2.7047769358187121
Mo -1.6513900778802348 4.0381955872022441 -1.0864326638813964

537
Mo 0.2458292135949556 -4.8461179471198452 -0.0578079006494292

Mo 1.9974422290652250 1.6050895534705987 -1.0843553166615330

Mo 0.1711854818237768 -4.7082846953177340 2.5071762548326948

Mo -2.2503516515160946 -4.6086428306192637 1.8166914267813894

Mo -0.6090430776829443 1.8933382397466723 0.8377076801886751
Mo 3.0278017998262090 -0.6378615116980022 0.7799666067766786

Mo 3.0878622322808287 -0.6671853205343847 -1.9811462115948473

Mo -3.0809569634747076 1.9305933394907377 2.6825881348004810

Mo 0.5743833750728360 -0.4910895498690984 2.6798762665482965

Mo 0.5594369629240852 -0.5085003459890380 -0.0720033941905047

Mo 1.6708756701190506 -2.5181163126066917 4.3629122368691355

Mo -1.8751548687113306 -0.2214234647288933 4.3038060193618897
Mo -2.0045247315214780 -0.2286507302967902 1.7634264597287199

Mo 4.4058740269371484 1.6054820060841397 2.5718915926826416

Mo 3.3314548652074230 3.5910758754661263 0.6945176295166000

Mo 3.3693032148378066 3.5581413807054183 -1.9878593550345709

Mo 1.9965962584078056 1.6192724249672494 4.2384313806587652

Mo 0.9295349951955281 3.8597616909474493 2.5130541803325777

Mo 0.8390234451121277 3.8766286957357483 -0.1513421204532026
Mo -0.6152231743859780 1.6329457903737001 -4.3495183163363036

Mo -1.0238366113768418 -2.6192170578053098 -1.8583676202114070

Mo -1.5404437639468576 4.0210761781505884 1.6530641665299139

Mo -0.7197094510542676 -2.4676839576982861 -4.4406190694769112

Mo -3.4724529218341216 -2.4473858576711116 -0.0553401320081424

Mo 3.0387740283630915 -0.5514589869919444 3.4327352672989697

Mo 1.5823932840530297 -2.8561374514056865 -3.6075107208667365
Mo 2.0212493528369109 1.5051716169129374 -3.7556351687765686

538
Mo 0.6390757816000416 -0.4604005657961352 5.2257141655026089

Mo 0.4723056048192316 -0.5644754286047231 -5.4110844204035491

Mo -0.6402295821221706 1.7976557143375640 -1.8594064192891668

Mo 3.3788247187328722 3.6132373069143391 3.3166225166077208

Mo 2.7878157845306308 -0.7787942249294542 -4.4974095872889350
Mo -3.0902395157603335 1.9876486047258908 -0.0321401173291385

Mo -3.4928795815818123 -2.2597254945101675 -2.5855621836775136

Mo 0.2500827251680455 -4.6420199314433317 -2.5190499969774400

Mo -3.0071854993816238 1.9801188435269843 -2.6966815278659482

Mo55 configuration: ∆E tot = −11.86 eV

Mo 2.5036103010213253 -3.0525833974059164 -3.1949969443151378
Mo 3.3939217656643592 1.1906380390655844 1.8132937171301204

Mo -1.1537302255778741 -0.9279713585248199 2.1716467823395202

Mo -4.1015143127394396 0.8990622747925503 2.5116965051712992

Mo -1.7793936366827410 -1.5644945454424910 4.9636932194704269

Mo 2.6977634485753583 -0.2167306646185434 -3.8515970504856529

Mo 3.8203137040611921 -1.4372149248128263 0.9778158826869525

Mo 0.3855058504008753 -0.0925504524232732 4.3011771388990052
Mo -0.0773334502080445 2.6035993625965492 3.5981514860708739

Mo -1.4618009363992570 -2.0779909280285462 -2.5618835808656417

Mo 1.7765893222700146 3.7279674021443245 -2.2606720902318518

Mo -0.6542951746970971 4.3382607926186072 1.3899124066499677

Mo -0.2036236842644286 3.1759272668914438 -3.8089428711176954

Mo -1.8683043198261373 -5.2973244001948725 0.7029240564975492

Mo -3.6638941561685101 -2.6120158201544736 -1.5630940587336273
Mo 2.4984090250103321 -0.8871917250541568 3.0765879638693132

539
Mo -4.1262724299480027 1.6237153503957504 -0.3910714663001915

Mo -1.2343495484716840 -2.6618676758141131 0.0327305320153624

Mo 0.8427406096949728 1.1703837613244250 -2.6096914640252908

Mo 0.2396590836801522 -3.6969194734479824 -3.7691155769835252

Mo 3.7307311188278902 1.5660645424308743 -2.2177688744603632
Mo -3.5866711476905095 -3.4690282183025030 0.7628332220144340

Mo 2.0827840934998676 1.8771549495586672 4.2796799724172541

Mo 1.8373263448514052 3.4152902013742850 1.8939972604173771

Mo -2.6973893718500221 4.1347011739581436 0.0259375689691108

Mo -3.4447470089325520 -1.5933495050059232 3.1888196324623106

Mo 1.0373021340368940 -1.6648171777348661 -1.8453464588319850

Mo 0.2555034687135844 -4.3668240510126903 -1.4114031137123408
Mo -1.8443484476305088 2.2657781594595239 -1.7034010699284057

Mo -3.1674117420177907 0.0261990100268665 -2.0349435606628550

Mo -1.3204713691196162 0.2819185193160596 -3.7801059895713838

Mo 1.1837133649038805 -1.6611481795804561 0.9531238418271197

Mo -2.0801501643094440 0.7510993913250505 3.9628971155355099

Mo -2.2378628004893955 -4.7297599655030123 -1.5459906715878606

Mo -4.4255243904137842 3.1412756460209810 1.5739264170353078
Mo -1.7973360100110938 -3.4098366086290124 2.7130132659077599

Mo 0.7914897510963232 0.8813355737853872 1.8729656478354269

Mo 2.6327648458443633 -3.4954376625549823 -0.4411577073511825

Mo 5.1530165496726852 0.4977469545573801 -0.4606206686600149

Mo 0.5392637426253106 -2.6637337093279054 3.3448254072720385

Mo 2.2662180704184340 0.4130304897277259 -0.4233885410611311

Mo 3.0228258449493524 -3.6944770261457105 1.9459463356706532
Mo 0.5267373966216429 2.5322757935713245 -0.2319068918883591

540
Mo -0.4938923486826639 4.5635482091526800 -1.3641004721206276

Mo 1.3533145478019719 5.3066715093387362 0.2033187794751949

Mo -2.6301578728147632 3.4552577810756109 3.0736529544905107

Mo -1.8879045638467460 1.7787610721267786 1.1680807771494823

Mo 0.5955826410211245 -4.1914324037651109 1.3015041677087975
Mo 3.9186232782600428 -1.1952667051111288 -1.6656875358892496

Mo 0.7165506605031595 1.5453352302454793 -5.3808671718734633

Mo -3.3314034054300947 -0.6971849627179605 0.5235274719820762

Mo 2.5391998603351169 2.5021874799515533 -4.5087884198508466

Mo 0.5447908795348440 -1.1983280750292575 -4.4811041931824764

Mo -0.8073122899921543 -0.0402105273550486 -0.6506436160654108

Mo 3.1908431043180485 2.9305042068654164 -0.1693894692142823

Mo55 configuration: ∆E tot = −10.77 eV

Mo -3.6104820232433443 -1.5508442208772024 2.3594027218601585

Mo 2.5243555913353894 0.2307717863149268 -4.1279021886192711

Mo -0.1729364394173185 -3.8249139529013112 -2.9243151932478924

Mo -2.1452344191326702 -1.6143382916537323 -3.1369014112733415

Mo 2.3194124485690502 0.2384328073234077 -1.4313494042128276
Mo -0.2255281409857837 -3.8117272764481669 0.1715991337006830

Mo -2.2640651262854252 -1.5446487860466043 -0.0074455625438290

Mo 2.3568380594096023 0.7347492800153006 1.4039353550547631

Mo 1.1036446017897905 -3.4108787525121009 2.7374828234811162

Mo 0.4772377396322298 -1.1084091972240877 4.9708020499885102

Mo -4.3266535941063093 -1.2441719174018964 -1.7429017062240160

Mo 0.4793363105120747 1.1163910841765503 -5.7516338117339609
Mo -2.1632307871775609 2.5041630894293530 -3.1607772680785908

541
Mo -1.8509830298391758 -0.7405420094726161 3.9991579874349448

Mo 0.0576134950351754 0.4024726412693980 -3.0759837689209366

Mo -2.2401133697320645 2.9109830910441818 -0.3102282961022045

Mo -4.5552515704392613 1.8038090117142378 -1.2330772391039986

Mo 0.0457568024572659 0.6701226944220888 0.0332011415549225
Mo 2.1752305556447151 -2.0142198815805656 -2.8942544125725664

Mo 0.0878479356145903 -1.8252239204227134 -4.3754211683717879

Mo 0.1965068154796139 0.9941805166019790 3.0436018543460470

Mo 1.8575916971202702 -1.8471323282686392 0.3600700455901755

Mo -0.0946996293353273 -1.7181839911295373 -1.4612140899179984

Mo 4.7464102302543463 -0.4051882244294465 -2.9195897339046617

Mo 2.3343717589105726 -1.3023279660067839 3.1930765352447796
Mo -0.3188626832462695 -1.5042747401073076 1.8981751407035095

Mo 4.6186400776111221 0.7021099442719692 -0.1788681014169864

Mo 1.7829283138600278 2.5611441874583765 -3.4636495124863806

Mo -0.2035562933217552 3.1349173377280284 -4.7552752004102850

Mo -4.0719818167244961 0.6755015809209670 -3.3479785970767404

Mo 2.3318842868664547 2.7369561888250455 -0.3677529556766892

Mo 0.0140834501131941 2.7948992859833659 -1.7890300626287434
Mo -4.3829092864859822 0.5167713158822753 3.2715411444956288

Mo -2.3303987992294868 -3.6331282099943518 -1.4359617024292266

Mo 0.2304457138448424 3.0459492001465041 1.1046752678923895

Mo -2.5099271719359475 1.5726999852668460 4.4059033979783653

Mo -2.7198739161253069 -3.8009828575682523 1.3606972478697870

Mo 4.0271394494520401 -1.8546855719780364 -1.0472145124501324

Mo -0.1718227107504671 0.9367637818365626 5.6484950108978360
Mo -1.6680103162305198 0.6156231806526087 -4.8308824001648372

542
Mo 4.3019125176832382 -1.3946996453146330 1.5474326808408332

Mo 4.4532206738936679 0.9558908889697602 2.8221540954685995

Mo -2.1412223759113260 0.6069616513182936 -1.4615628181074385

Mo 4.1325324231435250 1.8649998066696813 -2.2934119524834085

Mo 2.4328807393241281 1.0784765884078134 4.3780974542978690
Mo -2.1477316459775508 0.7644413969333552 1.5997480430517932

Mo -4.4993157975705094 -3.1974097745097820 0.2112241584276475

Mo -3.9268689975693922 2.4467820502999622 1.4344537289069059

Mo 1.8001296520083390 -3.9395221802724967 -1.1587923665605402

Mo -4.5513044432770560 -0.0185188712006337 0.4063202028502673

Mo -1.7146729021161544 3.2908613058016520 2.6785191637086871

Mo 3.1519847647581187 -3.6083530495014884 1.5908164989496818
Mo 4.4244394213453564 2.7433262912040810 1.1945171025040278

Mo 0.2321837828272955 3.2701984314316466 4.0844712908679135

Mo 2.3110779776703829 2.9929752145022963 2.7738041587514886

Mo55 configuration: ∆E tot = −10.52 eV

Mo -0.7181961051293655 3.8545302714532887 3.9506298320664790

Mo 1.1164451929757071 -0.9620521499067607 4.6345908685743282
Mo 0.8677535844178426 1.3985824840761740 4.9929817743145186

Mo -1.6080969883730294 4.4240160739755279 -1.0653125030816835

Mo -1.2907397808739294 0.4735617107503067 4.8890780829950078

Mo -0.2522021314210789 5.0673418376861026 1.8820173485316154

Mo 0.9011630793240233 0.4842266412849643 0.2704898629147561

Mo 0.2475455787157959 -3.5873946227722087 3.2706409645672494

Mo 1.7413594694010310 -4.3355935846520390 1.4013014244804953
Mo -3.6211576285652924 -3.0000150577955766 0.1728864373460652

543
Mo 2.1364481325346514 0.4834539734259717 2.6516931477572872

Mo 3.5840787264520326 -0.3680977850987510 0.0175239376095710

Mo -1.8751853223869333 2.8089842521524986 -2.8886209554156004

Mo -1.0281765372346090 -0.5590176505754396 -1.9037805146827225

Mo -3.5317631121087194 1.1809758308754397 -1.8245163327690417
Mo -2.2074336953596845 -0.9673100915023518 0.4573267238520380

Mo -4.7716887876551990 -1.4731904543081509 1.6840107237737048

Mo 0.5842538973101359 4.1581129562406698 -2.2939426471544238

Mo -1.4935663025814119 1.7446647319121489 -0.3483426058077477

Mo 0.4244916835944572 1.6330099204289166 -2.3696391205307190

Mo -1.1073629820200779 -3.6533774073443235 1.1788190002126679

Mo 4.5309884646185647 -2.6040850395961357 1.5101821543346485
Mo 0.6998256086393457 3.2947951556060104 0.2388948134957012

Mo 4.6675227354888609 0.7036424486889796 -2.1041647151938641

Mo 0.3297674879358485 2.2323724267944183 -4.7796420787311131

Mo -2.9363167095224352 -0.2813613622826239 3.0911412161010894

Mo 0.6480098680260831 -2.0565949183199308 -0.1222793257739223

Mo -2.1242016070763601 3.6596170531064640 1.4624908409174626

Mo 1.9317267334879951 -0.7316644938972559 -2.0923170328851768
Mo -0.3713361972268174 -1.1026859826617077 2.4614281550944170

Mo -3.7893967317153319 3.3906829937829830 -0.6683072778964227

Mo 1.3941588931878020 3.0374617977021234 2.8351766068411770

Mo 0.3968950615606808 -0.3804328750595705 -4.4250968201686263

Mo 2.7658688540422673 0.7132116679340026 -3.9769061875216289

Mo 4.3428421227937815 -1.5210485107882690 -2.6189668596464397

Mo 4.6009229604264856 -0.3992700189555123 2.2018207399810912
Mo 3.1173886817869345 -2.8551013447594560 -0.5794750260903481

544
Mo 2.7020414364713528 -2.0072803720705910 -4.6299012089455456

Mo -3.7050258510294043 1.2310700137929960 1.0273853121884322

Mo 0.4168979488518438 -2.6746414949243551 -3.0661779186726719

Mo -1.6468109551971200 -3.2175280613679211 -1.5888009876566489

Mo -0.6145458233101664 1.5396812834543372 2.3202975049459340
Mo 3.1005210242223438 2.2163938675765689 1.0118003698572924

Mo 2.3231101689762053 3.1646920429720886 -3.8260725452602582

Mo -2.5714797418543807 -2.7399096479117286 2.9467798542105417

Mo -5.0507376637008532 -0.3946289206945366 -0.3270383066173395

Mo -2.0001742457993874 0.3490285777544511 -4.0158671284845457

Mo -3.4626440557314320 -1.5262140097903210 -2.1953072509404432

Mo 2.7231268486279738 2.1412804913297343 -1.3905679982663468
Mo -2.6420020577205570 2.3826187365298104 3.5720107755817576

Mo 2.6576985328857141 -3.6763415685526413 -3.1336338043162035

Mo -2.0975018052195100 -2.1187598517166286 -4.0936758255007355

Mo 0.4815589747525379 -4.4099945750601650 -0.8224359770776353

Mo -1.1476241495825068 -2.1405057445117759 4.8993283562476471

Mo 2.2309552168872777 -2.0239116444103136 2.1180621262949071

Mo55 configuration: ∆E tot = −8.95 eV

Mo -0.0000000000002540 0.0000000000000071 -0.0000000000000409

Mo 0.0364229732643437 0.0000000000000071 2.6556770292246821

Mo 0.1691476741811844 0.0000000000000071 5.4548582789284641

Mo 1.9813596514749090 -1.3428978247249255 3.7443728905756206

Mo 2.0011914613696398 -1.3941727044555883 1.0861304472322875

Mo 2.0011914613697961 1.3941727044540340 1.0861304472321311
Mo -0.7515007845209407 2.2719370163847632 1.2903147477030501

545
Mo -2.5192707446232117 0.0000000000000071 1.2879309296269952

Mo -0.7515007845209407 -2.2719370163878772 1.2903147477030501

Mo 0.7515007845190258 -2.2719370163878772 -1.2903147477040680

Mo 2.5192707446244214 0.0000000000000071 -1.2879309296258263

Mo 0.7515007845190258 2.2719370163847632 -1.2903147477040680
Mo -2.0011914613696788 1.3941727044541903 -1.0861304472320601

Mo -2.0011914613698352 -1.3941727044555883 -1.0861304472320601

Mo -0.0364229732657879 0.0000000000000071 -2.6556770292242948

Mo 3.7395195460036756 -3.3102977896681356 2.2002414821013474

Mo 3.7395195460039883 3.3102977896695549 2.2002414821013474

Mo -1.7997356108111671 3.9041196044143511 2.7654459988763396

Mo -4.9648748960044831 0.0000000000000071 1.6060133372333265
Mo -1.7997356108111671 -3.9041196044119921 2.7654459988763396

Mo 1.7997356108095648 -3.9041196044118358 -2.7654459988753270

Mo 4.9648748960047531 0.0000000000000071 -1.6060133372318450

Mo 1.7997356108095648 3.9041196044151327 -2.7654459988756397

Mo -3.7395195460037112 3.3102977896697112 -2.2002414821000240

Mo -3.7395195460035549 -3.3102977896682919 -2.2002414820997114

Mo -0.1691476741818487 0.0000000000000071 -5.4548582789291729
Mo 1.9813596514750653 1.3428978247263483 3.7443728905757769

Mo -0.6845938740532667 2.0341865901275629 4.1610430471556548

Mo -2.2825104757321579 0.0000000000000071 3.9214098703223090

Mo -0.6845938740534230 -2.0341865901277068 4.1610430471559674

Mo 3.8777446017107380 0.0000000000000071 2.3300399873840316

Mo 1.3726110405156327 -3.5261156740416215 2.4586219146655477

Mo 2.7662343652053032 -3.6894360429539157 -0.0168791599779379
Mo 4.4448771899656432 -1.4857173261085173 0.2873742123629484

546
Mo 1.3726110405157890 3.5261156740417974 2.4586219146658603

Mo 4.4448771899657995 1.4857173261077534 0.2873742123624794

Mo 2.7662343652051469 3.6894360429534618 -0.0168791599779379

Mo -3.2791796742618988 2.1191780734302270 2.6068739019773499

Mo -0.0000000000002540 4.2473094923311443 -0.0000000000000409
Mo -2.7662343652029939 3.6894360429534618 0.0168791599755131

Mo -3.2791796742611172 -2.1191780734298966 2.6068739019773499

Mo -4.4448771899649007 1.4857173261080661 -0.2873742123617795

Mo -4.4448771899652133 -1.4857173261092989 -0.2873742123617795

Mo -2.7662343652025250 -3.6894360429539157 0.0168791599758258

Mo -0.0000000000002540 -4.2473094923314454 -0.0000000000000409

Mo 3.2791796742623252 -2.1191780734298966 -2.6068739019824338
Mo -1.3726110405172349 -3.5261156740416215 -2.4586219146643788

Mo 0.6845938740560431 -2.0341865901277068 -4.1610430471565207

Mo 3.2791796742624850 2.1191780734303833 -2.6068739019822775

Mo 2.2825104757344619 0.0000000000000071 -3.9214098703216100

Mo -1.3726110405167660 3.5261156740417974 -2.4586219146643788

Mo 0.6845938740560431 2.0341865901277192 -4.1610430471565207

Mo -3.8777446017106216 0.0000000000000071 -2.3300399873806743
Mo -1.9813596514777618 1.3428978247263483 -3.7443728905753888

Mo -1.9813596514776055 -1.3428978247249255 -3.7443728905738256

Mo55 configuration: ∆E tot = −8.75 eV

Mo -1.6119136241943739 0.9117160755626124 -0.9049222184148604

Mo 0.6733203268056354 1.4768854956042254 -1.8339172637146604

Mo 3.0379406266216602 2.5396292296572121 -0.4897261292220563
Mo 4.8655678278056751 0.4800213658956416 -0.7553432926239694

547
Mo 2.4379787304268330 -0.3488937490007622 -0.9097229728839338

Mo -0.2915104669945823 -1.4466596690709359 -1.5848608104830149

Mo -2.1877543328286624 -3.4466618579277908 -1.4401269399954302

Mo 1.7823013241511472 -3.1173865672804313 -0.2732085543896901

Mo 4.5262096174951818 -1.9717320650433798 -0.6337953948337329
Mo -1.5839171851611287 1.2963841220928352 1.6369987046955927

Mo -2.2268248831328368 -1.3541234301512297 0.8577582511194848

Mo -0.5505834638738367 -3.3999198127389123 0.6430222203487901

Mo 0.8904352649306571 1.8485150639756291 0.6797422584197292

Mo 2.4047670605057316 3.2194806254106858 2.3448251649158252

Mo 5.4681120390289504 -0.8956901267686668 1.4649097331721705

Mo 3.3635801419250111 0.7090043880174655 1.6451629297841279
Mo 0.4581708604840582 -0.7779885354526321 0.9380994431222334

Mo 3.0436496435008404 -1.9034974783967691 1.5663101268419766

Mo 4.9895912560361051 0.2228570634632145 3.7490474087978143

Mo 2.8744180315060230 1.7686425187577193 4.2799777189457657

Mo 0.5506535701102973 3.0352641184704261 4.6399894599098488

Mo 0.7737773874186029 0.8729008000901111 3.2196250301991753

Mo -1.6428351375933392 1.6648982813678295 4.3613457232802304
Mo -1.3415477966409544 -0.8003884390362366 3.3791566196526688

Mo 0.6949247297645496 -2.3795831772957960 2.7713820165079213

Mo 4.7415877170694625 -2.0277737201092201 3.6166479501712345

Mo 2.5434038973802853 -0.8861088606285925 3.9479167292074138

Mo -1.3307052336347329 -4.0463750706423385 -4.0295435846822656

Mo 0.1533626674188024 -2.1354963946513088 -4.2945636216199503

Mo -1.2400463913848672 0.0595572624816079 -3.6317161111478029
Mo 0.4853453933304603 2.5208540662001333 -4.1542668935127907

548
Mo 3.1812314932319605 1.7718455268877626 -3.0063944841466039

Mo 4.3227555629770631 -0.2671303819050586 -3.0408593842049285

Mo 2.5351500752637133 -2.1673984872639345 -2.7137389154881575

Mo 0.3734193591250072 -3.8222747119888654 -2.1319961002227146

Mo 1.5828058537364438 -0.0755182203762210 -3.7764888641319843
Mo -2.6166751210797248 -2.1292071241973183 -3.8100314638323951

Mo -4.6204269825312156 -2.9876487589546876 -1.4361623590186170

Mo -3.4807760386513866 -3.8713111137613199 0.8752035809071188

Mo -1.9959199316555658 -3.6180720428202138 2.7311458905569665

Mo -3.6718842734141521 -1.9366132128143043 3.2236126995805634

Mo -3.7838606862261219 0.4663023337807068 2.8077191757239106

Mo -4.1464998848039460 0.8834782188752452 0.3963043674754019
Mo -3.8035450157094903 1.8970072154989346 -2.1282272258489101

Mo -2.5462725580722907 1.8442117579368791 -4.7322435234020261

Mo -4.0894969502502239 0.2792727061813789 -3.9137748862387340

Mo -4.7298582591690224 -1.7577411707455575 0.8049272587074157

Mo -3.4476490321022784 -0.8770920454569016 -1.6305805185433044

Mo 1.2831809544014714 3.8540577140776868 -2.3189557460125130

Mo 1.5454108533714770 4.4829821842126059 0.4197028588004983
Mo -0.3849209304973034 3.5531077164748872 2.5293163246595256

Mo -1.6007605309443154 2.9695149299431343 -2.7920330714943944

Mo -2.9149757114583981 3.1396488013319335 2.9882451583011047

Mo -3.1044830865538007 3.0292854835362313 0.2461382529806784

Mo -0.6374087572646534 3.6509611586950008 -0.3970327266758247

Mo55 configuration: ∆E tot = −8.68 eV

Mo 0.0000000000000444 0.0000000000001297 -0.0000000000000782

549
Mo -0.1773415876321387 0.0000000000001297 2.8328398048371142

Mo 0.5302207445322171 0.0000000000001297 5.0785072120323260

Mo 2.1303594365462022 -1.4793606961711117 3.8376506409569018

Mo 1.8515308258506042 -1.3733623579106347 1.3340245524674472

Mo 1.8515308258506042 1.3733623579115193 1.3340245524674472
Mo -0.7915670974840729 2.2142245582826678 1.1628515312620564

Mo -2.6148513627457639 0.0000000000001297 1.1165281239884663

Mo -0.7915670974842293 -2.2142245582833464 1.1628515312620564

Mo 0.7915670974835383 -2.2142245582833464 -1.1628515312612748

Mo 2.6148513627449166 0.0000000000001297 -1.1165281239883100

Mo 0.7915670974835383 2.2142245582826678 -1.1628515312612748

Mo -1.8515308258514516 1.3733623579115193 -1.3340245524682288
Mo -1.8515308258517642 -1.3733623579106347 -1.3340245524682288

Mo 0.1773415876312914 0.0000000000001297 -2.8328398048364889

Mo 3.9279567542572682 -2.9810108134484334 2.2964333800509777

Mo 3.9279567542572682 2.9810108134482238 2.2964333800509777

Mo -1.6322693686403760 4.4814895044703054 2.6913253948783975

Mo -4.3734408446800730 0.0000000000001297 2.7161263409836280

Mo -1.6322693686403760 -4.4814895044708285 2.6913253948783975
Mo 1.6322693686399976 -4.4814895044708285 -2.6913253948787101

Mo 4.3734408446796937 0.0000000000001297 -2.7161263409839407

Mo 1.6322693686401539 4.4814895044703054 -2.6913253948787101

Mo -3.9279567542567095 2.9810108134482238 -2.2964333800511341

Mo -3.9279567542567095 -2.9810108134484334 -2.2964333800511341

Mo -0.5302207445335334 0.0000000000001297 -5.0785072120310781

Mo 2.1303594365462022 1.4793606961726216 3.8376506409569018
Mo -0.7000825443255074 2.5471797720945535 3.8258405591963154

550
Mo -2.5309284433968280 0.0000000000001297 3.9633319856245848

Mo -0.7000825443255074 -2.5471797720946068 3.8258405591963154

Mo 3.8305593483274709 0.0000000000001297 2.5599625827627861

Mo 1.1155873781022638 -3.6456527113762709 2.3507756876503905

Mo 2.5534314456759279 -3.6641065717643064 0.0141296371923616
Mo 4.2265367891892982 -1.6334028153959377 0.4265173881348332

Mo 1.1155873781022638 3.6456527113757478 2.3507756876503905

Mo 4.2265367891892982 1.6334028153951028 0.4265173881348332

Mo 2.5534314456759279 3.6641065717634707 0.0141296371923616

Mo -2.9911494514785737 2.5159230325692779 2.4536157059685948

Mo 0.0000000000000444 4.4170697655766435 -0.0000000000000782

Mo -2.5534314456764626 3.6641065717634707 -0.0141296371923616
Mo -2.9911494514785737 -2.5159230325690185 2.4536157059685948

Mo -4.2265367891895211 1.6334028153951028 -0.4265173881346769

Mo -4.2265367891895211 -1.6334028153959377 -0.4265173881346769

Mo -2.5534314456763063 -3.6641065717643064 -0.0141296371923616

Mo 0.0000000000000444 -4.4170697655763851 -0.0000000000000782

Mo 2.9911494514797585 -2.5159230325690185 -2.4536157059695327

Mo -1.1155873781020169 -3.6456527113762709 -2.3507756876503905
Mo 0.7000825443259107 -2.5471797720946068 -3.8258405591972542

Mo 2.9911494514797585 2.5159230325692779 -2.4536157059695327

Mo 2.5309284433975439 0.0000000000001297 -3.9633319856248983

Mo -1.1155873781020169 3.6456527113757478 -2.3507756876503905

Mo 0.7000825443259107 2.5471797720945535 -3.8258405591972542

Mo -3.8305593483275375 0.0000000000001297 -2.5599625827626298

Mo -2.1303594365445484 1.4793606961726216 -3.8376506409553395
Mo -2.1303594365445484 -1.4793606961711117 -3.8376506409553395

551
 Mo55 configuration: ∆E tot = −8.19 eV
Mo -0.0000000000000036 0.0000000000000053 4.3898310343002152

Mo -0.0000000000000036 -4.7161780472907671 2.3342625394854988

Mo 1.2360250416893273 -2.3634734774453445 3.3078271254937928
Mo -1.2360250416893361 -2.3634734774453445 3.3078271254937928

Mo 2.4851702482087603 0.0000000000000053 3.5402119279857249

Mo 3.8293020314393740 -2.7994623348762229 2.9557249292694703

Mo 3.8293020314393740 2.7994623348762264 2.9557249292694703

Mo 2.0342726518947831 -4.1156340242577096 1.1956822403569785

Mo 4.6140120792065673 0.0000000000000053 1.6818502677645810

Mo 1.2360250416893273 2.3634734774453534 3.3078271254937928
Mo -2.4851702482087674 0.0000000000000053 3.5402119279857249

Mo -3.8293020314393873 -2.7994623348762229 2.9557249292694703

Mo 4.6934424176079208 -2.4987456506875212 0.9273070205355189

Mo 2.4408223593595686 -1.3834537287731088 1.1516606276282157

Mo -1.2360250416893361 2.3634734774453534 3.3078271254937928

Mo -0.0000000000000036 0.0000000000000053 1.9774014104188620

Mo -2.0342726518947920 -4.1156340242577096 1.1956822403569785
Mo -0.0000000000000036 -2.3684963244208461 0.7032708264224947

Mo 2.4408223593595686 1.3834537287731159 1.1516606276282157

Mo -3.8293020314393873 2.7994623348762264 2.9557249292694703

Mo -0.0000000000000036 -4.5700875533430576 -0.6459187189081739

Mo -2.4408223593595810 -1.3834537287731088 1.1516606276282157

Mo 4.6934424176079208 2.4987456506875301 0.9273070205355189

Mo -0.0000000000000036 4.7161780472907751 2.3342625394854988
Mo 2.0342726518947831 4.1156340242577176 1.1956822403569785

552
Mo 2.4591469292786883 -2.8099625132131028 -1.0964446697190802

Mo -4.6140120792065691 0.0000000000000053 1.6818502677645810

Mo 3.7940562625635614 0.0000000000000053 -0.8487442364800906

Mo -2.4408223593595810 1.3834537287731159 1.1516606276282157

Mo -0.0000000000000036 2.3684963244208550 0.7032708264224947
Mo -4.6934424176079279 -2.4987456506875212 0.9273070205355189

Mo 1.3629829063646621 0.0000000000000053 -0.7998555344759435

Mo -2.0342726518947920 4.1156340242577176 1.1956822403569785

Mo -2.4591469292786918 -2.8099625132131028 -1.0964446697190802

Mo 2.4591469292786883 2.8099625132129500 -1.0964446697190802

Mo -1.3629829063646692 0.0000000000000053 -0.7998555344759435

Mo -0.0000000000000036 -2.2164993514296274 -1.9076019638262558
Mo 1.1232946918477484 -4.3502282587538543 -3.1042064209389837

Mo -4.6934424176079279 2.4987456506875301 0.9273070205355189

Mo -0.0000000000000036 4.5700875533430612 -0.6459187189081739

Mo -3.7940562625634140 0.0000000000000053 -0.8487442364800906

Mo -1.1232946918477520 -4.3502282587538543 -3.1042064209389837

Mo 2.3059985444643676 -1.4082806546614908 -3.1095907951026716

Mo -2.4591469292786918 2.8099625132129500 -1.0964446697190802
Mo -0.0000000000000036 2.2164993514297926 -1.9076019638262558

Mo 2.3059985444643676 1.4082806546615032 -3.1095907951026716

Mo -0.0000000000000036 0.0000000000000053 -3.2406382850076074

Mo -2.3059985444643765 -1.4082806546614908 -3.1095907951026716

Mo -0.0000000000000036 -2.3820198490158280 -4.5648307052774646

Mo 1.1232946918477484 4.3502282587538623 -3.1042064209389837

Mo -2.3059985444643765 1.4082806546615032 -3.1095907951026716
Mo -1.1232946918477520 4.3502282587538623 -3.1042064209389837

553
Mo 1.1268975759199460 0.0000000000000053 -5.5118615975925218

Mo -0.0000000000000036 2.3820198490158315 -4.5648307052774646

Mo -1.1268975759199495 0.0000000000000053 -5.5118615975925218

Mo55 configuration: ∆E tot = −4.68 eV

Mo -0.0000000000000018 0.0000000000000000 0.0000000000000000

Mo 1.9281499907153670 1.9281499907153687 0.0000000000000000

Mo -0.0000000000000018 1.9281499907153687 1.9281499907153687

Mo 1.9281499907153670 0.0000000000000000 1.9281499907153687

Mo -0.0000000000000018 1.9281499907153687 -1.9281499907153687

Mo 1.9281499907153670 0.0000000000000000 -1.9281499907153687

Mo -0.0000000000000018 -1.9281499907153687 1.9281499907153687
Mo 1.9281499907153670 -1.9281499907153687 0.0000000000000000

Mo -0.0000000000000018 -1.9281499907153687 -1.9281499907153687

Mo -1.9281499907153705 0.0000000000000000 1.9281499907153687

Mo -1.9281499907153705 1.9281499907153687 0.0000000000000000

Mo -1.9281499907153705 0.0000000000000000 -1.9281499907153687

Mo -1.9281499907153705 -1.9281499907153687 0.0000000000000000

Mo 4.2326357047056131 0.0000000000000000 0.0000000000000000
Mo -0.0000000000000018 4.2326357047056149 0.0000000000000000

Mo -0.0000000000000018 0.0000000000000000 4.2326357047056149

Mo -0.0000000000000018 0.0000000000000000 -4.2326357047056149

Mo -0.0000000000000018 -4.2326357047056149 0.0000000000000000

Mo -4.2326357047056167 0.0000000000000000 0.0000000000000000

Mo 3.9341875687132255 1.8025451720037466 1.8025451720037466

Mo 3.9341875687132255 1.8025451720037466 -1.8025451720037466
Mo 3.9341875687132255 -1.8025451720037466 1.8025451720037466

554
Mo 3.9341875687132255 -1.8025451720037466 -1.8025451720037466

Mo 1.8025451720037449 3.9341875687132273 1.8025451720037466

Mo 1.8025451720037449 3.9341875687132273 -1.8025451720037466

Mo 1.8025451720037449 1.8025451720037466 3.9341875687132273

Mo 1.8025451720037449 1.8025451720037466 -3.9341875687132273
Mo 1.8025451720037449 -1.8025451720037466 3.9341875687132273

Mo 1.8025451720037449 -3.9341875687132273 1.8025451720037466

Mo 1.8025451720037449 -3.9341875687132273 -1.8025451720037466

Mo 1.8025451720037449 -1.8025451720037466 -3.9341875687132273

Mo -1.8025451720037484 3.9341875687132273 1.8025451720037466

Mo -1.8025451720037484 3.9341875687132273 -1.8025451720037466

Mo -1.8025451720037484 1.8025451720037466 3.9341875687132273
Mo -3.9341875687132291 1.8025451720037466 1.8025451720037466

Mo -3.9341875687132291 1.8025451720037466 -1.8025451720037466

Mo -1.8025451720037484 1.8025451720037466 -3.9341875687132273

Mo -1.8025451720037484 -1.8025451720037466 3.9341875687132273

Mo -3.9341875687132291 -1.8025451720037466 1.8025451720037466

Mo -1.8025451720037484 -3.9341875687132273 1.8025451720037466

Mo -3.9341875687132291 -1.8025451720037466 -1.8025451720037466
Mo -1.8025451720037484 -3.9341875687132273 -1.8025451720037466

Mo -1.8025451720037484 -1.8025451720037466 -3.9341875687132273

Mo 3.6613793120140325 3.6613793120140343 0.0000000000000000

Mo 3.6613793120140325 0.0000000000000000 3.6613793120140343

Mo 3.6613793120140325 0.0000000000000000 -3.6613793120140343

Mo 3.6613793120140325 -3.6613793120140343 0.0000000000000000

Mo -0.0000000000000018 3.6613793120140343 3.6613793120140343
Mo -0.0000000000000018 3.6613793120140343 -3.6613793120140343

555
Mo -0.0000000000000018 -3.6613793120140343 3.6613793120140343

Mo -0.0000000000000018 -3.6613793120140343 -3.6613793120140343

Mo -3.6613793120140361 3.6613793120140343 0.0000000000000000

Mo -3.6613793120140361 0.0000000000000000 3.6613793120140343

Mo -3.6613793120140361 0.0000000000000000 -3.6613793120140343
Mo -3.6613793120140361 -3.6613793120140343 0.0000000000000000

Mo55 configuration: ∆E tot = 0.00 eV

Mo 0.0000000000000124 0.0000000000000107 0.0000000000000071

Mo 0.0000000000000124 1.4104578913497381 2.2815459306993500

Mo 0.0000000000000124 1.4104578913497381 -2.2815459306993304

Mo 0.0000000000000124 -1.4104578913498695 2.2815459306993500
Mo 0.0000000000000124 -1.4104578913498695 -2.2815459306993304

Mo 1.4104578913497399 2.2815459306993535 0.0000000000000071

Mo -1.4104578913498678 2.2815459306993535 0.0000000000000071

Mo 1.4104578913497399 -2.2815459306993269 0.0000000000000071

Mo -1.4104578913498678 -2.2815459306993269 0.0000000000000071

Mo 2.2815459306993553 0.0000000000000107 1.4104578913497345

Mo 2.2815459306993553 0.0000000000000107 -1.4104578913498731
Mo -2.2815459306993251 0.0000000000000107 1.4104578913497345

Mo -2.2815459306993251 0.0000000000000107 -1.4104578913498731

Mo -4.4464496074599378 0.0000000000000107 -2.7474544276443531

Mo 0.0000000000000124 2.7474544276443709 4.4464496074599573

Mo 0.0000000000000124 2.7474544276443709 -4.4464496074599431

Mo 0.0000000000000124 -2.7474544276443496 4.4464496074599573

Mo 0.0000000000000124 -2.7474544276443496 -4.4464496074599431
Mo 2.7474544276443726 4.4464496074599609 0.0000000000000071

556
Mo -2.7474544276443478 4.4464496074599609 0.0000000000000071

Mo 2.7474544276443726 -4.4464496074599396 0.0000000000000071

Mo -2.7474544276443478 -4.4464496074599396 0.0000000000000071

Mo 4.4464496074599626 0.0000000000000107 2.7474544276443673

Mo 4.4464496074599626 0.0000000000000107 -2.7474544276443531
Mo -4.4464496074599378 0.0000000000000107 2.7474544276443673

Mo 0.0000000000000124 4.5707389004369166 0.0000000000000071

Mo 0.0000000000000124 -4.5707389004372132 0.0000000000000071

Mo -4.5707389004372114 0.0000000000000107 0.0000000000000071

Mo 4.5707389004369183 0.0000000000000107 0.0000000000000071

Mo 0.0000000000000124 0.0000000000000107 -4.5707389004372168

Mo 0.0000000000000124 0.0000000000000107 4.5707389004369130
Mo 1.4213592330379008 -3.6840379194701951 2.2761145769081619

Mo -1.4213592330378759 -3.6840379194701951 2.2761145769081619

Mo 1.4213592330379008 -3.6840379194701951 -2.2761145769081477

Mo -1.4213592330378759 -3.6840379194701951 -2.2761145769081477

Mo 3.6840379194702173 -2.2761145769081441 -1.4213592330378813

Mo 3.6840379194702173 -2.2761145769081441 1.4213592330378955

Mo -3.6840379194701933 -2.2761145769081441 -1.4213592330378813
Mo -3.6840379194701933 -2.2761145769081441 1.4213592330378955

Mo 1.4213592330379008 3.6840379194702155 -2.2761145769081477

Mo 1.4213592330379008 3.6840379194702155 2.2761145769081619

Mo -1.4213592330378759 3.6840379194702155 -2.2761145769081477

Mo -1.4213592330378759 3.6840379194702155 2.2761145769081619

Mo -2.2761145769081423 1.4213592330378990 -3.6840379194701987

Mo 2.2761145769081672 1.4213592330378990 -3.6840379194701987
Mo -2.2761145769081423 -1.4213592330378777 -3.6840379194701987

557
Mo 2.2761145769081672 -1.4213592330378777 -3.6840379194701987

Mo -3.6840379194701933 2.2761145769081654 1.4213592330378955

Mo -3.6840379194701933 2.2761145769081654 -1.4213592330378813

Mo -2.2761145769081423 -1.4213592330378777 3.6840379194702120

Mo 2.2761145769081672 -1.4213592330378777 3.6840379194702120
Mo 2.2761145769081672 1.4213592330378990 3.6840379194702120

Mo -2.2761145769081423 1.4213592330378990 3.6840379194702120

Mo 3.6840379194702173 2.2761145769081654 -1.4213592330378813

Mo 3.6840379194702173 2.2761145769081654 1.4213592330378955

Pt6 Mo49 configuration: ∆E tot = 0.00 eV

Pt 0.2525825048884442 0.2840764826662172 -5.9419420447116922
Pt -2.2757107566546964 3.0074449530085792 -2.8752952803816041

Pt -4.5548234000324399 2.8696311443849742 -1.3723444734762440

Pt -4.3875731652215606 0.0662229567635861 -2.7473539121910133

Pt 0.0741816183940003 2.9539265925433864 -4.3392060758137605

Pt -2.1661638154042535 0.3435978711530174 -4.4188649719229547

Mo -4.2203036012796602 -1.3443271409558790 1.6394278602705752

Mo 2.3406763492512583 0.5081049770662739 -1.6246534002122788
Mo 0.1721709876880812 -3.5330094321095902 3.2396052511416573

Mo -2.3805000136553431 -1.8500190922010191 -2.8111658747385744

Mo 2.3350749572025977 0.7276882201504306 1.4519762106269267

Mo -2.1982224607468694 -1.6324365417691908 0.0932452793638872

Mo -4.4726981099752052 -2.0347612449256718 -1.1512823272315815

Mo 0.2102811683408181 0.5600207380455747 -3.3507112984079837

Mo 0.0739560763477744 -1.0254660953029842 4.6529561396988752
Mo -2.1124228223969297 -1.2996920916596608 3.1628080990965972

558
Mo 0.1009640207817217 0.6586952334724211 -0.1125207941261808

Mo 0.0829807426101514 0.8761184655774977 2.9963451477879945

Mo -2.1630462020115360 2.8358621080506969 -0.2439730728902250

Mo -0.2591445165121727 -1.7547924523094978 -4.3284885713136392

Mo 4.5507601614287996 0.3848251657314061 -3.0266126305104106
Mo 2.0848107050083957 -1.7620211914676205 -3.1619232275278333

Mo -0.0038211211353670 -1.6600432934645355 -1.5058771158678015

Mo 4.5506139970723911 0.4839532108575563 -0.0646664082142339

Mo 2.2772575982400030 -1.7063602126183455 0.0327519039297384

Mo 0.0999375781688389 -1.4795346620370637 1.6448037853192998

Mo 2.2701502004099936 -1.4022604539863395 3.1817962179714416

Mo -4.2209182437180388 0.8553440349248612 2.9600075950193090
Mo 2.4855166699630207 2.5076452248168448 -3.3006007544019380

Mo 0.1666966684402855 2.6823626617303464 -1.7470437134315064

Mo -2.0660923050788469 1.0647526978195212 4.3798283203333339

Mo 2.4038415482535429 2.7910610039619064 -0.2244443206626672

Mo 0.1910705694929810 2.8899804924893493 1.2737670112722013

Mo 0.1038192645641136 1.1585826631448362 5.8677112552239974

Mo -2.1683867567842512 -3.7876036837302922 -1.2174108222465323
Mo 4.2827416787015906 -1.6028585283249683 -1.4562703940570261

Mo 4.4654432043823320 0.6226908755530539 2.9672266985275715

Mo -2.0214214799560963 -3.5140222492437476 1.8103729092608090

Mo 4.3381842943143525 -1.3852867820614805 1.6388221142032107

Mo 2.2124678311542612 0.9892574659372636 4.3516422785534443

Mo 4.4705197310641793 2.4487278029369071 -1.7675743878952064

Mo -4.1527178219417991 2.7936909320556031 1.2869872120930124
Mo -2.0242965003283260 0.6474858313618667 -1.7621570179398960

559
Mo -4.2098373434671927 -3.7266913759518547 0.3743638477630382

Mo -2.1255278298440103 3.0127686125117839 2.7005531217315055

Mo -2.1181390107214568 0.7795823345162153 1.4329236261602061

Mo -4.1710161092686988 0.5756799240726683 -0.1672965110809033

Mo 0.1764336926112737 3.0046698168291277 4.2644197981897660
Mo 2.0569493278005995 -3.7586108200291863 -1.5079224658424808

Mo 0.0980077532670311 -3.8583108371931973 -2.8424816408720486

Mo 2.5013201445479396 3.0319742501117934 2.7019265912768335

Mo 2.0921973774694509 -3.6241028768968522 1.8227313769720039

Mo 0.0825828219517082 -3.7750337685125248 0.2696001161473616

Mo 4.4293430000531728 2.6954061782398160 1.4135312579888817

Mo 2.4392491422696470 0.4054139042661186 -4.5420475179552655

Pt6 Mo49 configuration: ∆E tot = 1.40 eV

Pt -3.1575839596274333 0.8553441073260585 -4.9562214765075714

Pt -3.7140734026939155 -2.0524150031140094 2.3168703285243395

Pt -4.9371427477506016 3.0234888110407896 1.4419627717793244

Pt 4.4531484349781723 2.7534878720927596 -0.1570644351186477

Pt 3.9640094281311180 -4.1241956699191631 0.7739730808226365
Pt 1.0021733381332438 0.4214532507595378 4.6061280889630405

Mo -2.0942595558803587 -1.4505474210771638 -4.2577346456342786

Mo 2.1647311077085449 -4.1500048701570504 -1.2133949964420683

Mo -0.1635885361120615 -4.0532227239484397 -0.5220033278662076

Mo -1.0396047804279249 -0.3835149080055261 -2.2829383512305896

Mo -2.5407149008942040 2.1136024104615787 -2.6471633507883809

Mo -0.6134808515191310 1.2926059592189147 -4.2628543595459467
Mo -4.0778166936790141 0.5703936525881629 1.7199945327346964

560
Mo 1.2457881564377942 -0.7455676647150001 2.1274718523849798

Mo 0.5161792984384419 1.6938493956027514 -1.6757900985447864

Mo 2.6385312720726377 0.7152110603826399 -0.1549843036881303

Mo 1.4920390501615486 -3.2287795141191848 1.4137333651254320

Mo -3.9217558916221718 -0.0402699415673625 -2.4819470577894323
Mo -1.7899912083250655 -2.2875959244859727 4.4833854233480919

Mo 5.1116020389575683 -0.0314001079259783 -1.0362298617275545

Mo 1.9125379047176494 3.2445496591497376 0.3769300123121663

Mo 4.5223680901132868 -0.3619960618010254 -3.2496139508431612

Mo -2.2084657691588374 1.0329811153518136 -0.2724229888864247

Mo -2.3968419635338760 -2.8954010595917650 -1.9032261150670624

Mo 0.1431930718536420 4.0562514853909422 1.9634024035479112
Mo 0.1361503874861795 -1.3983609415036142 -4.8277047176949486

Mo 3.6225225078374566 -1.4958274741004687 1.2442372117881260

Mo 3.4418609228555939 1.7303961775212400 -2.3833125132693085

Mo -0.5795355487466936 3.6909626392658881 -3.2540175595642382

Mo 0.0612160664930996 1.3692106382040776 1.0257113969257088

Mo -1.7227836152461038 -0.2461649405545956 2.4737769729766597

Mo 3.2853091057695369 -0.4548123706270418 3.7220144096392516
Mo -3.4964170283350340 -1.2527960889753615 -0.2708552739188466

Mo -1.5580827024209072 0.0522163670351687 4.9271801699890672

Mo -3.3685796500752216 2.0357478779584826 3.8128564440835446

Mo -0.8553259727822564 -1.5684557322187687 0.0643108670549647

Mo 2.7579085995291424 -2.4216813894714901 -3.3157561633602115

Mo -4.7125383877424722 1.4358633153950222 -0.8317067469649321

Mo 1.7173866643213784 -0.1879959306963202 -3.0433189981517388
Mo 4.4270753401541585 0.8785948545443146 1.7946796161738459

561
Mo -2.6912840740749315 -3.7894981943106272 0.2255065807444757

Mo 3.0004331874567445 -2.8290400326417879 3.4195306125768177

Mo -1.1028434311634243 -2.8763160077168974 2.1785052611621807

Mo 0.6545183645953159 -2.1953570882980697 4.1637083497332918

Mo 1.6499310507005276 3.8911698895464726 -2.4769270462637309
Mo -0.8636272279272703 3.5923784216866865 -0.6329887721397317

Mo -3.3089051454915532 3.6430340094208846 -0.7152556532124582

Mo -2.3241661265186222 2.8684387492954047 1.5607016769182220

Mo 1.7490733306976949 2.2343432352317736 -4.2747654620514117

Mo -0.5189984026014856 2.2258442970934711 3.3881067921022860

Mo 0.1790567085122602 -2.8171276653869937 -2.8402495096627889

Mo 4.0648444474679026 -2.2609186901380154 -1.1868411903617389
Mo 1.5307835215946255 -1.6063446044420886 -0.8083982331103731

Mo 2.2669237446406045 1.8672119813427883 2.4406516750828722

Mo -3.9528875674652992 -0.0830232113975769 4.2703572629127615

Pt6 Mo49 configuration: ∆E tot = 2.74 eV

Pt -3.2237561394346859 4.0696216779927550 -2.5903069032516601

Pt 2.9960942890898830 4.3402588736460066 2.6009598427726219
Pt -3.7310460531102443 0.0307645996334189 4.5303046334703048

Pt 3.0743821573124883 -4.2049526810737765 2.7336977155261142

Pt -3.1568838696520505 -4.1947116777935403 -2.4703691859086421

Pt 1.5694588100403246 -0.0731947280243169 -6.0813513134234682

Mo 1.1813585472317985 -0.0147009453636483 -1.6249281179198325

Mo 3.1858995777436627 0.0287388350514738 0.3023406167545401

Mo 0.9000600503570872 1.5227593061961269 0.9774738614608917
Mo -2.9152020540257757 -3.0642636973463264 -0.0719654399819206

562
Mo 1.0299558996765112 -2.7229807437280296 3.4817729668319028

Mo -3.2474222966391837 1.3205047686679210 2.2299866384595735

Mo 1.1956033754679791 0.0552607028747018 3.2636041027279785

Mo 0.6683497823991920 4.3714933647867111 0.9954751370388325

Mo 1.1119009266935831 2.8793579645659553 -1.4910276475577791
Mo 0.9272833052738476 -1.4804225740092298 1.0220211362199318

Mo 1.1588732998262394 -2.9050829359387209 -1.4071552391347069

Mo -1.3390589308818819 1.2478416371828254 4.1598429060166513

Mo -3.2294842722297270 -1.3051338758112561 2.2632909558678431

Mo 3.4137446536075471 1.4373826521354796 -1.8431788041969195

Mo 0.7467374028204024 -4.3301299677025940 1.1244921358098332

Mo 3.4335005915778458 -1.4367267145280507 -1.8027650827661421
Mo 3.4406287296246578 -1.3842160940112898 2.6232673368344233

Mo -1.1945194170765445 0.0151461323034684 1.7112355525929919

Mo -3.4778062362740929 1.2289156242582637 -2.2619392406569387

Mo -1.2831824146473068 2.9296560814239050 1.6700188094440811

Mo -3.4552472220678663 -1.3566386334033731 -2.2279774759475259

Mo 0.9816616874437556 2.8376151191891577 3.3973809561804780

Mo -1.2273481589902193 -2.9001462360087209 1.7558467876195862
Mo -1.2985463272452291 -0.0596058515021514 -3.2733113240724263

Mo 3.4168027962953378 1.5120646619278615 2.5738798149696782

Mo 3.3506693341219789 -0.0254133880537926 -3.6777341776379355

Mo -3.3169349314394712 -0.1018713342895650 -5.0017115600237263

Mo 2.7724008248376837 2.9955177305639409 0.3406371557849487

Mo -0.9219924770539492 2.6805392919361726 -3.1282553677321001

Mo -2.8319415141939830 2.2069315508406913 -4.5563217058278669
Mo 2.8224353833274831 -2.9426952263010633 0.4282326166323679

563
Mo -2.7923170762091392 -2.3855656508910079 -4.4935765595906103

Mo -1.1606466211810229 1.4423763244183134 -0.8134065076035565

Mo -0.8754510606088641 -2.7869099875385621 -3.0515623286259119

Mo -0.8392615107118990 1.1111615320142292 -5.7153992641641560

Mo -0.9225791421937259 4.3541811002970023 -0.8792931603993884
Mo -0.8170910379868239 -1.2815424551079460 -5.6823139252007318

Mo -1.1347864399030598 -1.4850962858740480 -0.7704492098543899

Mo 1.0919352073218942 1.3494865984640358 -3.8946310110601381

Mo -0.8486452984409301 -4.3917827859216443 -0.7527411667844442

Mo 1.1143568900413132 -1.4445781960866584 -3.8565646650244156

Mo 3.2149373355512596 0.1055129102225105 4.8801197238537775

Mo -3.4575227277869587 -0.0296276625647485 -0.0356560261041755
Mo -1.3218923692054503 -1.1608815342199028 4.1922967224283294

Mo 3.2634518355891777 2.5253847825937918 4.7220106662235963

Mo -2.9691234569256730 3.0122276861236741 -0.1617346042536306

Mo 0.8025238650568602 1.6522250372897520 5.3911670319291494

Mo 3.3003946306533702 -2.3152375604146944 4.8090179276588882

Mo 0.8242878671325877 -1.4788171230914853 5.4372532635958297

Pt6 Mo49 configuration: ∆E tot = 4.45 eV

Pt -1.6652168051538716 4.2001411620920122 -3.8355387527707223

Pt -0.0179535741945322 -4.6387874987277202 2.5059823591569232

Pt -0.3219126626537835 2.3664487633240467 0.6644457570438734

Pt 0.5140859591269056 -0.2996581061918960 0.0191043728763221

Pt -1.6894747186752532 0.1167594200551515 1.6248058737496285

Pt 4.5470856887654216 1.3293093423629783 2.3118694549958803
Mo -4.4173094917479441 -0.1380508220143896 -1.8160158855376152

564
Mo 4.4681682723046245 1.4641164353712435 -0.2999939483992390

Mo 1.8138924239558363 -2.7183969509589305 1.7766845881576587

Mo -2.0602139943388629 -4.7453479295881182 -0.6110378506133057

Mo 1.9274778278310847 1.4966624008022960 1.6915429881865494

Mo -0.8081010776234869 -2.5675394988782445 3.8451802776222279
Mo 0.6159874853936469 -0.5705817972848281 -2.7928176429971701

Mo -0.7446446464843000 2.0283273447878711 3.2361098347057804

Mo 1.4906479031716073 -2.6325231649611824 -0.9375898856143917

Mo -2.1362042793359528 -0.5444052415838286 -0.8998453126301965

Mo -2.0814657865459445 -0.4040188387142764 -3.6098851945457029

Mo -0.9357891364795670 -2.5938497656173185 0.9782226555850800

Mo -4.1776338397164032 -0.1565086033841795 3.9580538219279275
Mo -4.2752699718164715 -0.3817362401722421 1.1474985453085595

Mo -3.0253594087741043 -1.9685042711159584 2.6182270880244487

Mo 0.7134147426249520 3.6365208299750718 -2.6410687872739005

Mo 4.4361910361870578 1.4866162226383350 -2.7489183885218353

Mo -1.5112813548203086 3.9737618616190415 -1.1777341247452056

Mo 0.4286689388229981 -4.7203755012617679 -0.1625671181078358

Mo 2.0959650400687089 1.5612563177581842 -1.0866819989911447
Mo -2.5506024869877812 -4.4451282654926105 1.5971321633781999

Mo 3.0967370088777684 -0.7082670060455286 0.9505799169319661

Mo 3.1408423858192442 -0.6953561486070868 -1.9772056870152197

Mo -3.3815252156608828 1.7369083608611957 2.8736298108443861

Mo 0.5643854316175840 -0.7701008103726651 2.7107729948136323

Mo 1.7020188699618344 -2.5905593862172624 4.5135032817010572

Mo -1.6926862141076633 -0.1168873076072970 4.3102719171868333
Mo 3.2826698466941919 3.5147275726406120 0.6585367366666278

565
Mo 3.4306604443770432 3.5469535816167390 -2.0347731961634623

Mo 1.5401584475448415 1.5767101655177720 4.2464996456907818

Mo 1.0447346094845535 3.9748197583533225 2.5532760286075784

Mo 1.0896864449017478 4.2792990196471150 -0.3098896201013500

Mo -0.5468485602141833 1.7971164059715106 -4.2313784895637010
Mo -1.0941384511135190 -2.7669396442160208 -1.9083043991111792

Mo -2.3704630586829545 3.8034869926857366 1.2874003250684671

Mo -0.7988557990163621 -2.4395873587855137 -4.4621174573138571

Mo -3.5644423351690584 -2.4737402448349970 -0.1667495042752788

Mo 2.9530190833684777 -0.4527667384547386 3.5234730659497364

Mo 1.5949588520816356 -2.8175906576546597 -3.5861061558243592

Mo 2.0415295512635665 1.4522104124931898 -3.7401065704898202
Mo 0.7738720538218651 -0.7801192584547011 5.4427698035181695

Mo 0.4532240108210187 -0.5582266269829120 -5.3174806507946268

Mo -0.5921557544893936 1.5278406413858674 -1.7681401704230721

Mo 3.0309855077010623 3.4396654818841084 3.3808734001756249

Mo 2.8686239594749892 -0.7670165282966480 -4.5030914246136771

Mo -3.0303487479773814 1.9115471638554054 0.0901448611633447

Mo -3.6837645674160875 -2.1244447299490732 -2.7702649613231700
Mo 0.3348393463591642 -4.6950617310966978 -2.5743165791015259

Mo -2.8208692332273806 2.0608710158244916 -2.5469718121747094

Pt6 Mo49 configuration: ∆E tot = 4.90 eV

Pt 0.0245329120320546 0.0205001254438286 -0.0356079817288278

Pt -1.4559238645313601 2.3809727404684766 0.1757852316747401

Pt -2.2664917172055286 -0.0047719565905767 -1.4082219384985395
Pt 0.0027713911128295 4.6513913486164542 -0.0505928522404533

566
Pt -2.9169131405612663 -4.5466926449551464 0.2244262442401518

Pt 3.7009903658742300 -2.2353506954372646 1.3852461482754732

Mo -0.0136410591492537 1.3684145112238013 2.2845396426666604

Mo -0.0322989562425593 1.4679647576372872 -2.1862276244338381

Mo -0.0483098603873659 -1.3884690279570606 2.2177108591150323
Mo -0.0577606295732127 -1.4056750846331625 -2.5200457062851576

Mo 1.4696297260240212 2.3095296067803419 0.1032826399170998

Mo 1.3687423734677648 -2.2988914572605834 -0.1481533099639423

Mo -1.3781630175136601 -2.2909827804133895 -0.1011673553934261

Mo 2.3911473345206948 0.0264898700565338 1.5500140302981462

Mo 2.3444608628516161 0.0576862950972951 -1.2549528156672496

Mo -4.3695499195125969 0.0295308528461048 -3.0636212905187796
Mo 0.1046620627561734 2.9484825030429223 4.5330140998616626

Mo 0.0251724684012769 2.8516658332868845 -4.5900139695399931

Mo 0.1007729068899572 -3.1648300528528521 4.3483423435843802

Mo -0.2472243537463643 -3.2442082100896696 -3.9958979540059096

Mo 2.5822448062755794 4.8311738707695868 0.2259976691772065

Mo -2.9317128771581085 4.3171523718368521 -0.6629542473229693

Mo 3.0467817625002587 -4.4538663563641476 -0.0201445157549332
Mo -4.5213607787948185 -0.1320160698583693 -0.0046479363058980

Mo 4.6106758512043307 0.3651897671439854 2.2521320742932169

Mo 4.4757193344833688 -0.3457286463973220 -3.0207667435947179

Mo -4.6458556943219840 0.2188777418933482 2.7921498692132238

Mo -3.8844793697943376 1.9538677560262669 1.4959336523454476

Mo -0.0208544100816428 -4.5934126152972565 -0.0720040796269475

Mo 4.6198872341870292 0.0954131128931663 -0.2804906963476386
Mo 0.1630583888106962 0.5645059118474448 -4.5616196850545068

567
Mo -0.1111157763594011 -0.1058694575791493 4.5050822993694224

Mo 1.4626867848057796 -3.7750909853699026 1.9193007870373746

Mo -1.2410515675958353 -3.6009692922339438 2.2607530324118748

Mo 1.3551595376099042 -3.8491562445466370 -2.1037393911252145

Mo -1.5898095757728217 -3.8435072068504494 -2.1129724647688000
Mo 3.6880956423802584 -2.3569862479785284 -1.3407308904169328

Mo -3.6277267405592570 2.3570932236336377 -1.4949290748731245

Mo -3.7204056891139063 -2.2475392010736526 -1.2384789321961565

Mo -3.5699275382450995 -2.1000653116277759 1.5384210489687318

Mo 1.6415562547713300 3.6355637406261083 -2.0637373067607832

Mo 1.5184323865661178 3.8192074038504105 2.1418587735479711

Mo -1.1391171833583260 3.6680737795524836 -2.3661190690822145
Mo -1.2489270564082235 3.4768950116515045 2.7105232783670963

Mo -2.2602938034999087 1.4601148752510056 -3.6149890736835295

Mo 2.3420221954021931 1.4560481417521458 -3.4849230969350748

Mo -2.7175533886484007 -1.4811866998696843 -3.4890119147358383

Mo 2.4707211620240761 -1.3870139515944289 -3.4718726574547936

Mo -2.2154105176816929 0.0329306163951172 1.3621472847248866

Mo -2.2396993466864248 -1.3803004446099749 3.6271739795002609
Mo 1.8549826114003989 -1.7063871393987882 3.7746091380054190

Mo 1.9544926132169249 1.5210071461360684 3.7296946703376244

Mo -2.3259471852464091 1.2918942448919750 3.6802284929256408

Mo 3.7301395422251451 2.2844394371582668 -1.3390609579164137

Mo 3.7479865059557622 2.4768911830304150 1.2593282423738570

Pt6 Mo49 configuration: ∆E tot = 5.92 eV

Pt 0.7247742113687486 -1.2291654283537714 1.2910150360941510

568
Pt 0.0431209217992438 1.9332262692920230 -1.7091259421499838

Pt 2.8677804353226835 0.4040096694817127 0.9510799960628316

Pt 1.3574890838375671 -4.3791154577495668 2.3762583868801372

Pt -3.8705734749543885 -0.7940947610279497 -3.0207736606974738

Pt -2.1893869309203944 -2.8286256812146031 4.4702554658889859
Mo -1.8837093021665241 -2.2712002146888004 -4.3075226112350684

Mo 1.2184383999977937 -3.3958650032927387 -0.1847124281334958

Mo -1.1027207118725684 -4.6224029789552921 -0.1864239552508964

Mo -1.1512476662981477 -0.3773743258408609 -2.7145154109117695

Mo -2.6196821623641431 1.6652524578583188 -3.0464304405988480

Mo -0.6213623511561867 1.4444426022857846 -4.9282233496388175

Mo -2.3262590884584013 0.1009984038479928 -5.2404763874157245
Mo -3.9199854110008379 0.5841805592055672 1.6037663050763042

Mo -3.2176446351563164 -2.0612267943807678 2.1448623341174411

Mo 5.1077694828564244 0.5908510387962490 -0.4555769170288658

Mo 2.4405591620903597 3.3402203951856531 0.6091277959539563

Mo 3.6952115836271009 -0.5875144759085854 -2.7960261541467046

Mo -2.0331478904858673 0.9505655439655328 -0.3083542085742293

Mo -4.1484031245737398 2.8380311323153662 0.5424787481591717
Mo -3.0528570280609792 -3.1822348085474008 -1.9201886866649500

Mo 0.3385293243842106 3.9601731288258981 2.6936379524054028

Mo 0.2223062126789591 -1.3955804403383050 -4.9526941430102491

Mo 4.9535635836695890 -1.2565275620886733 1.4784376903329826

Mo 2.7606300803750030 1.6052476729894030 -1.5352694798024344

Mo 4.6638214133394760 2.8903740103716813 -0.8068465632816701

Mo -0.7409227933373040 3.9109153818215816 -3.2865772553226620
Mo 0.4414436350389292 1.5552242784223094 1.0562650008045864

569
Mo -1.4174056905542380 -0.1718044015387749 2.3818437665245384

Mo 4.2746191508834768 0.2874554338608161 3.2527076250739877

Mo 3.4325341719193534 -3.8799394701064385 0.8006745286991710

Mo -3.8791306258726759 -1.1238618673124072 -0.3888029590010909

Mo -1.1767287331433531 -0.3608339167306508 4.9120481926868633
Mo -2.9285166056845449 1.7287238054481702 3.7904820578737510

Mo -1.5000615717385968 -1.7800415338425963 -0.1865720173508463

Mo 1.9237884789705937 -2.2856412610485979 -2.9091404916293540

Mo -4.4906454011385684 1.3113504786842005 -1.2638352042630376

Mo 1.4051083268477673 0.3418622382019137 -3.5894133429365667

Mo 4.8320110781588559 1.9745977937061354 1.6966021387826518

Mo -3.3554409927379001 -3.9305191756981617 0.2977387097860513
Mo 2.9026081974466087 -2.1189337885117325 2.4747317564012641

Mo -0.9673381406991098 -3.2517760611802413 1.8922996390119315

Mo 0.3603541693294987 -2.0252611392508193 3.8970025406283426

Mo 1.8153170432808021 4.0717738500950436 -1.7029211732126111

Mo -0.0934388287129953 4.0347626495205198 -0.0536954057557144

Mo -2.3649274532061964 3.4036183529861757 -1.2176576978008604

Mo 1.4499715429001818 0.0797362864006740 3.5613660744584927
Mo -1.7695651339489487 2.7653906679347395 1.5751470595389037

Mo 1.2814189549077637 3.1013282284020982 -3.9041902474690935

Mo -0.3236216762970912 1.9505932318456465 3.8724979841226812

Mo -0.4617487789575299 -3.0582991255375198 -2.3387855833127396

Mo 3.3626409603475920 -1.7762893913310516 -0.5618554144383114

Mo 0.9983622552612382 -0.6479864131104719 -1.2211274790941766

Mo 2.3119762798869785 2.3904073711035783 2.8941034709603572
Mo -3.5796759370292563 -0.4231974552680068 4.2213043538033075

570
 Pt6 Mo49 configuration: ∆E tot = 7.19 eV
Pt 0.8600806694656443 -1.3804358278490123 1.2123593318453554

Pt -2.1302019055532697 0.9692581495744103 -0.2351110409206102

Pt 0.2311872224081702 1.5419064584671813 1.1491890648664131
Pt -0.2699887104276993 -0.0167799136760166 5.5974677116939091

Pt -1.1741909510058561 -1.8367156754933229 -0.4101531644788636

Pt 1.8888800367200798 0.2575773979449739 -4.0127774931086426

Mo -2.4989992568184642 -2.1353550448159755 -4.6290061209281150

Mo 1.3291372947937110 -3.5155236127423919 -0.4081993715467637

Mo -0.8378010498583944 -4.4704016937777480 -0.5341163858905245

Mo -1.5872116447066400 -0.4781062957198693 -2.5629425506662415
Mo -2.6629669944708105 1.8668223605154148 -2.9196424704414419

Mo -0.5875660137051549 1.2733148741928397 -4.4647107861680242

Mo -2.5790330121299170 0.0989662191368402 -5.2149885016509598

Mo -4.2569957779150229 0.2157870445658302 1.5452920059374573

Mo 0.0241329137488232 1.8360702008677974 -1.6455944091281638

Mo 2.7606343115885363 0.4964054349866234 0.8564549524722711

Mo 1.2021318950889568 -3.9424071732755408 2.0427604504033701
Mo -4.0773175526129224 -0.5129286750478389 -3.0135879169491582

Mo -2.2942049323141585 -3.2140947955985171 4.2932657887964742

Mo -3.6635684969003903 -2.0863562205802699 2.4082080911280963

Mo 4.9799422310347419 0.3673418644972273 -0.5342029424021839

Mo 2.4816605186781397 3.1622150112935783 0.4208460229668725

Mo 3.9351539448120492 -0.7523604258828803 -2.5770596717461842

Mo -4.0934322723141907 2.7203574324009701 0.6708054904115119
Mo -2.8622518912555437 -3.1348804473846483 -2.1354617124255055

571
Mo 0.3931377836938782 3.9266333594880671 2.4989090110632590

Mo -0.1753010004162839 -1.3703626656282637 -4.4376118990171483

Mo 5.1221490354184604 -0.8940969992093984 1.8971420797097038

Mo 2.8286263158588012 1.4333064668175588 -1.7576732350112363

Mo 4.7163869854819618 2.9509849479942485 -0.7165458245954546
Mo -0.6356067003922904 3.7316214369934855 -3.0622557954016862

Mo -1.5120065480247367 -0.3667918524131250 2.0807411572950749

Mo 4.1701367711056108 0.5155753059410152 3.4410959799671588

Mo 3.4535155301301113 -3.8487818628574546 1.4896081605022577

Mo -3.7778424882358932 -1.1575298229593796 -0.4174141115710465

Mo -2.8185134971948704 1.6427390479588260 3.1069584016493161

Mo 2.1184943575204569 -2.4003538751993299 -2.8546011225260481
Mo -4.5327564911562472 1.2503417558903489 -1.3329066559149418

Mo 4.7897952266001962 2.0411741307528493 1.4559080180564872

Mo -3.2998489356843574 -3.6934947084707446 0.0610909678084286

Mo 2.9701807698166527 -1.8114163945420354 2.7115053192819643

Mo -1.3629651679647710 -3.1318144996792441 1.9497738572818157

Mo -0.1599459923098853 -2.0647383140466902 3.8980401935836904

Mo 1.9777722406643785 4.1414281930160062 -1.7566050278892620
Mo -0.1338619863576999 3.9421154559194886 -0.3119406828133355

Mo -2.6703309937140718 3.5703855284026820 -1.0353845465110654

Mo 1.2596342403921716 0.1500515870391724 3.4524415671282735

Mo -1.7961725119175247 3.4266397462158666 1.6999259800259687

Mo 1.4782258719665919 2.9485142988440396 -3.7687902036342869

Mo -0.5152085586023371 1.8973053223155070 3.8366658678513970

Mo -0.3274095896857533 -3.1555565263205461 -2.7003720701008436
Mo 3.3586782453702031 -1.8400084083836696 -0.2233553321900565

572
Mo 1.2177348473559677 -0.6635480283310099 -1.4136674909151914

Mo 2.2651620294096531 2.3147197209604924 2.9380458457191687

Mo -2.5190703654787883 -0.8147189931084119 4.3721772190972876

Pt6 Mo49 configuration: ∆E tot = 8.44 eV

Pt 0.5047568863191337 -0.5192488622315763 -2.4908559751569799

Pt -1.0216968045761787 -2.5437455366162229 0.8340396380900713

Pt -0.6017199569189805 2.1451186359376195 0.8867644370930537

Pt 0.3889736025975436 -0.1375726114565509 3.0907960397416629

Pt 0.4340923378896686 -0.3120636098253817 0.2542030968259780

Pt -1.2654631558504221 -2.9358992382359861 -2.0571527105322134

Mo -4.7576232912579322 -0.2180262950011362 -1.7575391288862523
Mo 4.3418421313490372 1.3854760513140953 -0.2833919733300946

Mo 1.5041450117721233 -2.3495017830950475 1.8018600899940060

Mo -1.4520206139653131 -4.9584303302623294 -0.2604503353443380

Mo 2.0211701168950280 1.4564223565640915 1.6677486982519847

Mo -0.9318157438454570 -2.4413836139186196 3.6494071200640992

Mo -0.7123853550066616 2.2497272892106723 3.6331536382191949

Mo 1.4398035041053574 -2.5316833695654788 -0.9651121627280234
Mo -2.0063141210290278 -0.5076840661768840 -0.9956035755189897

Mo -2.0084613086452712 -0.4378331988729622 -3.5381864914385792

Mo -4.2703734882286728 0.2054913589082086 3.3530620394073076

Mo -4.3171051548553860 -0.1918659930894459 0.7498889514297337

Mo -3.2754629094569370 -2.0231846263701865 2.6218166537487839

Mo 0.7390989927734301 3.7657097254111878 -2.7532375964435221

Mo -1.7345373407707301 3.9801686462733814 -3.4287955032034017
Mo 4.1529632892998256 1.5201616751692932 -2.9166814508295751

573
Mo -1.6973147457238145 3.9141068993570296 -0.7680516743372808

Mo 0.9171261844630473 -4.8318163663644764 0.3947769878247270

Mo 1.9021214507769626 1.5235657219995300 -1.0840784769178824

Mo -0.3462304978433533 -4.5768087772467476 2.4978586876584319

Mo -2.6490339437664199 -4.4468146666895541 1.7050328319959185
Mo 3.2445132929308058 -0.6775732854199605 0.5504402360581669

Mo 3.2043551547838152 -0.6943854539216756 -2.0500049424919577

Mo -2.8723880181104571 2.2025739518377443 2.3321503650707163

Mo 1.7279731187119436 -3.4969787694975931 3.9960283764829896

Mo -2.0441149687644029 0.1304428694259963 4.2425227147382545

Mo -1.9136498919072522 -0.1330974172712260 1.7377426042692323

Mo 4.3672808093979985 1.3544557712162715 2.5195141428671719
Mo 3.2955244435375550 3.4872219881557442 0.6051373721817840

Mo 3.3145630953548859 3.6068289633000945 -2.0134487163605601

Mo 2.0164142636064679 1.7370152938138679 4.2018231624628024

Mo 0.9101353031308889 3.8553286665085977 2.3823047326581133

Mo 0.9197977843323278 4.0246878546545952 -0.2382381286383394

Mo -0.8420282727805487 2.1370296416851469 -4.5397787556739226

Mo -1.2384793301598613 4.5270731269907403 1.7890899213906108
Mo 0.2083843919965258 -2.6483244691173997 -4.2298165109416823

Mo -3.4996620783356853 -2.4695872566424639 -0.3430472120016054

Mo 2.9087607570799050 -0.8540583454965154 3.2660216395090158

Mo 2.4096077627962340 -3.0629051193551109 -3.4882432868703290

Mo 1.6882278461816294 1.6084576639270507 -3.6544706831794023

Mo 1.0544652232085272 -1.6702777606060581 5.0691909890966116

Mo 0.0535390266764974 -0.3635626787115639 -5.1634370978544508
Mo -0.7440776658244314 1.7981472960586693 -1.8824600398133979

574
Mo 3.4263744448107305 3.3717012616647586 3.3181055637693286

Mo 2.4103100558937962 -0.8625840696298235 -4.4406326093742381

Mo -3.1892341035277121 1.8552414021176546 -0.2734108049715313

Mo -3.7857906916031374 -2.1182984984954669 -2.6895648908566758

Mo 0.7248483292527731 -4.5831687151335307 -2.0401744314274102
Mo -3.0541851591704177 1.7562106728149263 -2.8046155657771195

Pt6 Mo49 configuration: ∆E tot = 9.06 eV

Pt 0.0155411881485035 -0.0127081201802311 -0.0479034807213025

Pt 0.0004167226858696 -1.3597232496423244 2.3273760757894428

Pt 1.4400150984576070 2.3008889831300809 0.0694079210487052

Pt -1.3501250153690452 -2.3749153774944416 -0.0378180247702459
Pt 2.3562571253054898 -0.2894314849326022 -1.5446096611830171

Pt -2.2400360135271029 0.2101547746664939 1.5060346682774082

Mo 0.0886299990012132 1.3763449034866417 2.2736272657972028

Mo 0.0172057911756835 1.3484530850877827 -2.2361255657754380

Mo -0.0481941922258502 -1.4903955341508022 -2.2637240332345097

Mo -1.3751384840372085 2.3027464852231692 -0.0481566452641856

Mo 1.3554467635615592 -2.3365243904380959 0.0408606761711071
Mo 2.2598049468426638 -0.0544427141436144 1.3012730330811735

Mo -2.4158441794236012 -0.1061007475333709 -1.2788326796959097

Mo -3.9530840247228980 0.0279860105784470 -3.0979027559647245

Mo -0.2695184079117896 3.0605098516570894 4.4545172604075418

Mo -0.1737208070630205 3.3089631082243347 -4.1830789281391105

Mo -0.0585743438132342 -3.1488745918308707 4.2452875066599631

Mo 0.0920633517892495 -2.8672857378660224 -4.6937652226290396
Mo 2.4379337244288735 4.7213481304997504 0.4263550218319666

575
Mo -3.3019921181221861 4.3031848101412313 -0.1822283368454406

Mo 2.5463967065890074 -4.7962246675431812 -0.1780871278477462

Mo -3.0296543454117852 -4.3978586990394559 -0.2147394512843163

Mo 4.7763254907415984 0.2533612657431538 2.5747205961670692

Mo 4.3759005464854113 0.5944269969995181 -2.9597431624490151
Mo -4.3267910706088912 -0.4603744042788903 2.9539180227701798

Mo 0.0879698201858330 4.5733725431587677 -0.1302184372587901

Mo 0.1884512312515054 -4.5588380590379201 0.1824677915208640

Mo -4.5209373039869547 0.3393802139999044 0.1016811944740515

Mo 4.5613852488344406 -0.0626925485011284 0.1698762759066573

Mo -0.0418482625930212 0.0298811598365508 -4.5266172987803941

Mo 0.0960800188014159 0.0270055296785917 4.5223790460250628
Mo 1.4678024700162664 -3.5548467050787691 2.5046682131196012

Mo -1.5652166348845074 -3.5121728268745569 2.3431230445253139

Mo 1.2252980901963324 -3.7930995960944029 -2.3786706473850923

Mo -1.2147209036986342 -3.8872461146443227 -2.1852408254846973

Mo 3.4849026916704418 -2.7910818063396432 -1.0591716193331564

Mo 3.7178259617444240 -2.2183758799912523 1.4059409810453900

Mo -3.6153433614269659 -2.6082036686537249 -1.4161837475432009
Mo -3.7019845394724058 -2.0019660469983860 1.2587288522114903

Mo 1.3602188678724045 3.4840623386621719 -2.3643340977151435

Mo 1.3851337594285693 3.7782658370599922 2.3196982234439081

Mo -1.5222969263909791 3.8233146409012182 -2.0858240671054342

Mo -1.2266502190406074 3.7758431267377826 2.2012367048588835

Mo -2.0232274583513430 1.5200670165508821 -3.6849100379723434

Mo 2.2649549531385418 1.4149138247369015 -3.7033003911274274
Mo -1.9917246751080884 -1.5338940903774825 -3.8129558599563746

576
Mo 1.8843503110608848 -1.5493800790436962 -3.9376293047847919

Mo -3.4856207371908567 2.5645582346626856 1.3723400598768762

Mo -3.8293389400610778 2.1709008802154859 -1.4416871550074433

Mo -2.3175577189613534 -1.3828322167305016 3.7159262274815155

Mo 2.3120351667777044 -1.2429742145467300 3.5525142379136700
Mo 2.2492902223323625 1.4063633325602203 3.6233637853509042

Mo -1.8911190877816042 1.5102854869023068 3.9230537542279227

Mo 3.7679453157417271 2.0161657113706912 -1.3040021922490865

Mo 3.6746781869194223 2.1497152895145764 1.6270843175234948

Pt6 Mo49 configuration: ∆E tot = 11.17 eV

Pt -1.2818794442739609 -0.5804596643324169 -2.6268166912825199
Pt 0.6021309437938059 -1.5259189673475300 1.4587769144006404

Pt 0.1099947161607779 1.5510689385818983 -1.7277035175530593

Pt 0.2214589436997946 1.3331904591036372 0.9778462369120511

Pt -1.5559389413525999 -0.0278453714120923 2.4761576573194577

Pt -1.6905068944855153 -1.4207914792644170 0.0209280572389576

Mo -2.2214778318901613 -2.3055043531778181 -4.4984490922239004

Mo 2.2289953258138349 -3.7569206595754649 -0.9793783016599698
Mo -0.2393661412185318 -3.5943565202110732 -0.5028476132504303

Mo -2.5632586155250072 1.9021269258766926 -2.8105373957951150

Mo -0.6387129110249882 1.2424275397625797 -4.5578683671443869

Mo -2.7979946070088664 -0.0099889382096104 -4.8579877838911969

Mo -4.0929725940584012 0.6959376947380980 1.8080220374977887

Mo 2.7177573210205241 0.3508039517692856 1.0544842920406938

Mo 1.5443955012997683 -3.9663831681507786 1.8100554139579361
Mo -3.9343873322043725 -0.6328933831950616 -2.7049414878913671

577
Mo -2.1621107089929188 -2.8741443726509117 4.2987141848669479

Mo -3.4905114050208175 -1.8559550037177184 2.1363264773309640

Mo 5.2209304774672454 0.5644843499132497 -0.2177614514795387

Mo 2.3872256617151715 2.9111682571502855 0.6349277903088892

Mo 4.2361769151949566 -0.5878908064765733 -2.7657149652726138
Mo -2.4187056106600044 1.1035653232459348 -0.3648180664581198

Mo -4.3287927169332807 3.0924734399753704 0.5945936568591423

Mo -2.5152610053266562 -2.8923794977710116 -1.9950452111742500

Mo 0.4670585577543238 3.9346086014336294 2.2705325611650795

Mo -0.0666959612502674 -1.2914925485226769 -5.0669332773656421

Mo 4.7630173892159711 -1.3520386734381384 1.6027743316894110

Mo 2.8526853610874747 1.1518168465701459 -1.6223359083908442
Mo 4.5424798846730363 2.7534947826260243 -0.9695411270770713

Mo -0.7436490879351462 3.7348961141473525 -2.9805056730124084

Mo 4.1017820132306717 0.5104738783542511 3.3870717882470234

Mo 3.6672302079968193 -3.9036640953017723 1.1331648080688346

Mo -4.2667036087937920 -0.9365202974179647 -0.3747806709176225

Mo -0.8349141643185968 -0.4255876952858495 4.9862302836740966

Mo -3.1033679486895869 1.7513791819691340 3.7055052917280835
Mo 2.6112971783405436 -2.4278045325250388 -3.2748132134244434

Mo -4.7382409993503263 1.5613329999567531 -1.2107395683796860

Mo 1.4813945368033032 -0.1894067872892942 -3.4752614506591817

Mo 4.7350786376949907 2.0883097272587521 1.5965492854002654

Mo -3.2458705349459711 -3.5786836033905103 0.2450715142137159

Mo 2.7649699357986992 -1.9171972285611583 2.8787111013950368

Mo -1.3361195320806794 -3.3367164617068368 1.8900898268281814
Mo 0.1742380027637657 -2.4056449662879600 4.1502657295571863

578
Mo 1.8385649554701551 3.8042348382923508 -1.6596653981454417

Mo -0.3344343281193639 3.6992854058591043 -0.3473975062641224

Mo -2.8614715861291193 3.8669334157822455 -1.1346832814875463

Mo 1.2372331651695945 0.1841131951485328 3.3650705411948212

Mo -2.0274435296395046 2.8078905957072386 1.5064375502904361
Mo 1.2769522885424258 2.7605155261574659 -3.8405811667015746

Mo -0.3023294169132165 2.2749076047186407 3.6080065855987118

Mo 0.2085936455225769 -2.8299970482158101 -2.9868224905844363

Mo 3.5212183134081800 -1.6383940689197170 -0.6760531478898379

Mo 0.9767162273048159 -1.1316969784304769 -1.0663470798330004

Mo 2.5289471926620957 2.3593375001354304 3.2496076222119927

Mo -3.2254058414636608 -0.5944999234484039 4.4504093652129866

Pt13 Mo42 configuration: ∆E tot = 0.00 eV

Pt -4.5494456572260065 0.0903998819359112 -2.8293583260452499

Pt -0.0814987855012437 2.9111214110218575 4.4387261541300829

Pt -0.0988706080915070 2.8587293272341348 -4.5457996821553452

Pt -0.0308504448856771 -2.8377827950870058 4.5751230152030384

Pt 0.0484988471635361 -2.7475051804405384 -4.5633793102111442
Pt 2.9900660656705256 4.4590783361907169 -0.0452893458576941

Pt -2.7489309918417084 4.5304616741188566 0.0528169542955820

Pt 2.8421300736419894 -4.5495656372812734 -0.0072748399560371

Pt -2.6805727233455108 -4.6674425009189493 0.0758915704151427

Pt 4.5379525740192248 -0.0167039592327546 2.8742472211353793

Pt 4.5280188664653096 -0.0019161710103764 -2.8123668872048291

Pt -4.5824528785813259 0.0024074512013664 2.7846118095028651
Pt -3.7521531935371448 -2.3065071251588138 -1.3568467211699415

579
Mo -0.0199258629230788 -0.0207291182249894 -0.0099623715955036

Mo 0.0107909078589258 1.3427265458634021 2.3032661040979909

Mo 0.0881347146628641 1.3515323765705083 -2.3691036918765582

Mo -0.0483634267861722 -1.5001439326221064 2.3076750283609067

Mo -0.0608033345082693 -1.4581566581999799 -2.2931239343987335
Mo 1.3634779623017081 2.3610842174793638 0.0623613031223350

Mo -1.4530813408321044 2.2391370263656283 -0.1737433273742514

Mo 1.4049584731128064 -2.2878867168911627 0.0479939405455149

Mo -1.4824880128681932 -2.3711431821033218 -0.0298869730141692

Mo 2.3052707753217518 -0.0237325672650547 1.4188806488417691

Mo 2.3042878138512108 0.0187264147381706 -1.3681664612508913

Mo -2.3023626153015946 -0.0798264610477849 1.4141827434863528
Mo -2.3588234213520756 -0.0625708380020290 -1.4126822666919425

Mo 0.0536212927379935 4.6370061097091648 -0.3086533193358011

Mo 0.0372994437082283 -4.5322030367459947 -0.1582244879081119

Mo -4.5594739153003063 0.1473348352146952 -0.0146310648347568

Mo 4.6007558107118811 -0.2738496917970371 -0.0142811105968806

Mo -0.3507835136888436 0.0759732159479990 -4.6503518324780204

Mo -0.4249340239669455 -0.0894213281632238 4.5551102388137847
Mo 1.6671896130801898 -3.5341675121720444 2.4719866339960412

Mo -1.6986117672428143 -3.5634372789229873 2.4356237906827451

Mo 1.2789790785972670 -3.7434622850053616 -2.1832852979543964

Mo -1.1530626054429312 -3.9093475502595370 -2.1944267093039236

Mo 3.7742289793491537 -2.1699886890835360 -1.2333037475978417

Mo 3.6701776469018128 -2.2713605763977087 1.3956484243239968

Mo -3.5976685958810370 -2.4214852088443566 1.4871425447254916
Mo 1.4501251404091513 3.6091399905180479 -2.2608899237088003

580
Mo 1.6588730009958348 3.6516561858297272 2.3368024366251539

Mo -1.1922605201738512 3.7998609528159930 -2.1961612749325758

Mo -0.9344409256686010 3.6814190466385410 1.9384650330047632

Mo -2.2652454485389817 1.3445074413047589 -3.5561308407113450

Mo 2.4342221907268637 1.6625569469532901 -3.6459174327338224
Mo -2.2068325820907879 -1.2259185541925863 -3.8011343368544153

Mo 1.9871011070099720 -0.8251301258908489 -3.7545181220272901

Mo -3.6916167723361375 2.1583681164961659 1.3195823421417481

Mo -3.9087838316036616 2.2312489701392506 -1.1241353602857886

Mo -2.3782596671000298 -1.4302557488454373 3.6377643311188046

Mo 2.3125911174128597 -1.5635557130514119 3.5665893438216778

Mo 2.2346433608820533 1.6316307564145140 3.5808072838600729
Mo -2.1881048552041924 1.2946182934953778 3.7454786182957087

Mo 3.5964227251700365 2.1948709282803711 -1.4495429336974839

Mo 3.6208847400575834 2.1995996903804005 1.5357944192166029

Pt13 Mo42 configuration: ∆E tot = 1.33 eV

Pt -4.2729193385099684 0.0526148913358322 -1.5955242165398398

Pt -4.8893691126283301 0.1841003404456518 3.7905213486984590
Pt -2.0072968768646087 4.4500660693895782 -3.8022879188645398

Pt 0.2705158567263897 -4.8570188924621238 2.2908860961772457

Pt -2.5089753209309911 -4.1618934065073283 2.0221048514256483

Pt 3.3039767422670785 -0.7816840359569706 0.8296202496883042

Pt 2.8869753778049074 3.8250169367699827 -1.8670956197482178

Pt -1.6260807701065365 3.8253886722531014 1.5411606479543474

Pt 0.2295846831011590 -0.1252652664883897 5.1132019855860680
Pt 0.2244399574221585 -0.0998615341070841 -5.2627270956289154

581
Pt 3.4641411411024978 3.9136852712695669 3.5014165106125574

Pt 2.8150323368265600 -1.0612833594375330 -4.4441338655452398

Pt -0.1931266726354210 -5.1178711031344513 -2.9399589712038732

Mo 4.4345620623694977 1.5706746366195072 -0.2822123173197063

Mo 1.8510619680972391 -2.8141703596964991 1.9469358955555884
Mo -1.9592213936818863 -4.6899845316089577 -0.6293892045360349

Mo 2.0248907328021288 1.5669874553570196 1.6258345673635444

Mo -0.7821293575440740 -2.4883188459614223 3.4752335614871774

Mo 0.7548153931408168 -0.7210616385363089 -2.7676163169595509

Mo -0.4432563123144646 1.8188621960703359 3.3517944609572559

Mo 1.8168354356786598 -2.7957587326093343 -0.8864618403257792

Mo -1.8387242823250547 -0.4273385523474790 -0.9218849877202450
Mo -1.8518071019523779 -0.4646452230353426 -3.4748856962873655

Mo -0.6092253071818050 -2.7569011855482799 0.8748816650440158

Mo -4.3871042464564542 0.0174295442915420 1.1880850249159820

Mo -3.4995047618642436 -1.8524770353489930 2.8234616472971488

Mo 0.3567423484916339 3.8566975735381410 -2.8214209572667781

Mo 4.1976715286987414 1.3304225177915405 -2.8856930453721010

Mo -1.7389427851261903 3.9417085613190901 -1.2292640004021560
Mo 0.4116173867703532 -4.8104399740411470 -0.3629458084568119

Mo 2.0202870608511230 1.5497610623500520 -1.0831174191962207

Mo -0.4470698073203632 1.6948520193861460 0.7774921016258857

Mo 3.3023415191069470 -0.6186030220597245 -1.9112495437513151

Mo -3.1859560529560698 1.7920984077860691 2.5887182627570384

Mo 0.6607277878703186 -0.5431144479509480 2.6233251309863981

Mo 0.7226173475358779 -0.6419846565933995 -0.0996808229599842
Mo 1.5116958450452704 -2.6818659281264274 4.2739451552886871

582
Mo -2.3062105291102246 -0.0812728700349878 4.2137177364479488

Mo -1.8783167039437265 -0.3452846671621752 1.7259628946957151

Mo 4.2750594142804079 1.5005148287111263 2.4477423172964925

Mo 3.5023387493347906 3.4933430402107959 0.8128456490977071

Mo 2.2299730721114415 1.5862862075968505 4.1840482758615796
Mo 0.9623060448239591 3.7562844296202007 2.4750916835687446

Mo 0.8495084516392863 3.7550094104699849 -0.0755635390272134

Mo -0.8251222417768618 2.1212804624576718 -4.2896895570472386

Mo -0.8963996779566694 -2.8010767000876795 -1.9012269241203612

Mo -0.5567255555008355 -2.5885690055728157 -4.3865073369417260

Mo -3.1611901108152800 -2.4038296489481938 -0.0056859211883239

Mo 2.9950969548499327 -0.6091534135936709 3.6181146412906884
Mo 1.5319133230322037 -3.1249940561582585 -3.3640588335511041

Mo 1.8768800229967144 1.4906059830335134 -3.6364354705593138

Mo -0.5328781237184301 1.6740807819973831 -1.8873472470993751

Mo -2.8975441444213041 1.8387298891950383 -0.0676881679809117

Mo -3.2606658673935320 -2.3550072586121846 -2.5309938611385321

Mo -2.9278460897423946 2.2142281624623950 -2.7033958549414501

Pt13 Mo42 configuration: ∆E tot = 4.69 eV

Pt -2.8783701796658518 -2.6218029885893932 -4.2567812000854257

Pt 1.3106080829854883 -3.7081383241721886 -1.3707968223144187

Pt -0.2333662942821016 1.4106590979236460 -5.1460768183372148

Pt 1.2083397888667491 -0.1036068369132043 4.2989934577860884

Pt 4.0916989663111298 -0.8618130528570084 -3.1208952870987936

Pt -2.9637021626560864 1.4009935385819039 3.8715067520234454
Pt -4.3187942670707855 1.2155973018650821 -0.9370851934030781

583
Pt 4.8657083350950749 1.9735627797316337 1.7610337979861383

Pt -3.5396194069956568 -4.5077662598451251 0.6632255468502876

Pt -1.2618364366749566 -4.2533252335236460 2.4083884162170053

Pt -0.2244423918207513 3.7607791264195978 -0.3511997990622419

Pt 1.6636591958161884 3.0556855252834167 -4.1328311052830884
Pt -4.4941989298068501 -0.9257425548380210 3.4870185363586397

Mo 3.7609989382931364 1.8614859938583024 -2.5137079016814332

Mo -1.1674598873377471 -3.8105907431358368 -0.1952937297039092

Mo -3.0645765743233162 -2.3505928174713979 1.8617670520064822

Mo -0.6949675400466991 0.0572251461884218 -2.9356609477272557

Mo -2.9671453563492176 1.8139475561475233 -3.2289491291585248

Mo -2.5247853310910719 -0.0459492623153347 -4.7662306564793431
Mo -3.5936242410065433 0.3956623816760899 1.4669347047619621

Mo 1.5167190394308026 -0.9350819765992530 1.7057950434515075

Mo 1.1891781640269639 1.8242478370801152 -1.6371407183850986

Mo 2.9795442179331002 0.9104320077594384 0.0869157857083563

Mo 1.1346980392459984 -3.2416951620174137 1.2176016007721073

Mo -3.0756266280693176 -0.7869204891005920 -2.3268938129605665

Mo -2.2652563372443599 -1.9968810197767484 4.4074851858244006
Mo 5.0554696711347820 0.2405363050846890 -0.8450601892121198

Mo 2.4915346059423693 3.4613152554585387 0.4848371114656236

Mo -1.6818663096494866 1.3629594347706444 -0.6778116749926445

Mo -4.4655711089312096 2.7906066333493085 1.2134945548538520

Mo -3.1281880210844215 -3.2879913885349534 -1.6140956165561859

Mo 0.5444452505605962 3.7576024063567637 2.3469298938424963

Mo -0.2799294378135229 -1.3976053522201819 -4.8883447888896159
Mo 4.3193662433911504 -0.5954284389654020 1.9866246634359352

584
Mo 4.6723800042449950 2.9898096150640536 -0.7115302261931243

Mo -0.8878403644461726 2.8070116207022378 -2.8960608476402068

Mo 0.3603008824978080 1.4191368763016434 0.9672281242574848

Mo -1.1598290457334499 -0.0908054016996030 2.4681069284379111

Mo 3.8586680795607027 0.2768943847888737 4.0979654877808498
Mo 3.6196878210279633 -3.0979070445396450 1.4621334534218731

Mo -4.2629147118063919 -1.5698098562195719 -0.0518292754915665

Mo -1.2984314389425167 -0.1721455772154058 5.1697963376990685

Mo -1.4017344914958290 -1.3284741467919550 -0.0536998934336833

Mo 1.5993788702683245 -2.0128062572029686 -3.3845164028472641

Mo 1.8656372505863417 0.3948700656224905 -3.7917856478545739

Mo 2.7946132407247641 -2.1925974082501254 3.5222695559834447
Mo -0.0474316469789865 -2.3130555701457514 3.4833493859639288

Mo 2.3567777966613899 4.0374151213756226 -1.8274347935993513

Mo -2.9786505351242933 3.5488052282576508 -0.4927466887398641

Mo -2.0243440466464335 2.7374573468235983 1.6487463581910979

Mo -0.2559210640864210 2.2082535830239336 3.7037167537751285

Mo -0.8517780506034024 -2.6120376467279600 -2.6089450293089418

Mo 3.2659735802264582 -1.7034681771522262 -0.6346508975079396
Mo 1.0550562220159188 -0.8649849675539981 -1.0822838485046185

Mo 2.4117599509356591 1.6760717848796891 2.6884744535969816

Pt13 Mo42 configuration: ∆E tot = 5.50 eV

Pt -0.3649131642955518 2.9578801210439565 4.5587097194615378

Pt -0.3649131642955518 -2.9578801210438002 4.5587097194615378

Pt 2.8766530736797371 4.5749435744732381 -0.2874058697518732
Pt 2.8766530736797371 -4.5749435744733944 -0.2874058697518732

585
Pt 4.5391582415279350 0.0000000000000000 2.9185603469569714

Pt 4.4780158590779315 0.0000000000000000 -0.0159301194573457

Pt -0.1620368410572518 0.0000000000000000 4.5396515252648637

Pt 1.3228054211977913 -3.8747309833570682 2.3162773786569262

Pt 3.7095679369402950 -2.2610453756136337 1.4259037870281108
Pt 1.3228054211977913 3.8747309833570682 2.3162773786569262

Pt 2.2726162703696708 -1.4652241208919037 3.7768906962668809

Pt 2.2726162703696708 1.4652241208917474 3.7768906962668809

Pt 3.7095679369402950 2.2610453756136337 1.4259037870281108

Mo 0.1091185885392217 0.0000000000000000 0.1200585285635386

Mo 0.0500013724985319 1.5718249043387686 2.4438309530381077

Mo 0.0174344165130470 1.4107530513762327 -2.2043179593233702
Mo 0.0500013724985319 -1.5718249043386123 2.4438309530381077

Mo 0.0174344165130470 -1.4107530513760764 -2.2043179593233702

Mo 1.4263702712859676 2.4407738624308166 0.1258299647465636

Mo -1.4044764197910744 2.3588616559063524 0.0076572086799646

Mo 1.4263702712859676 -2.4407738624308166 0.1258299647465636

Mo -1.4044764197910744 -2.3588616559063524 0.0076572086799646

Mo 2.4069363525729051 0.0000000000000000 1.6448832273286118
Mo 2.2105663448239206 0.0000000000000000 -1.3520778187170290

Mo -2.1172749893438629 0.0000000000000000 1.4229274808237793

Mo -2.2217521095721020 0.0000000000000000 -1.3286847959520227

Mo -4.7547967087896632 0.0000000000000000 -2.4695234920610374

Mo 0.0476537271782898 2.9071811449722134 -4.5978876615937114

Mo 0.0476537271782898 -2.9071811449722134 -4.5978876615937114

Mo -2.2473075126226343 4.6074679580989226 -0.4101157653454178
Mo -2.2473075126226343 -4.6074679580990789 -0.4101157653454178

586
Mo 3.9644762092440295 0.0000000000000000 -3.0530886526488188

Mo -4.4681051063195776 0.0000000000000000 3.1082496311200942

Mo 0.0744698059881198 4.6805724941366549 -0.0285106446767796

Mo 0.0744698059881198 -4.6805724941366549 -0.0285106446767796

Mo -4.4473586317212233 0.0000000000000000 0.3612543971307988
Mo -0.0870334502953448 0.0000000000000000 -4.4386610972097404

Mo -1.4041988047913996 -3.6499361069172664 2.2508135310758406

Mo 1.3643462945126894 -3.6843042533142523 -2.2708834094900623

Mo -1.1629100329905746 -3.7062824902167790 -2.6162940895181861

Mo 3.5281034602979338 -2.2172581104180864 -1.3470555667320891

Mo -3.7331424297621618 -1.9729006040198698 -1.5583339311599869

Mo -3.5813037028150569 -2.1662823006915346 1.4958457921502546
Mo 1.3643462945126894 3.6843042533142523 -2.2708834094900623

Mo -1.1629100329905746 3.7062824902167790 -2.6162940895181861

Mo -1.4041988047913996 3.6499361069172664 2.2508135310758406

Mo -2.1908979840377407 1.3484491860520080 -3.6217158375027281

Mo 2.0340257592573643 1.5259206570936783 -3.8113252044616615

Mo -2.1908979840377407 -1.3484491860520080 -3.6217158375027281

Mo 2.0340257592573643 -1.5259206570936783 -3.8113252044616615
Mo -3.5813037028150569 2.1662823006915346 1.4958457921502546

Mo -3.7331424297621618 1.9729006040198698 -1.5583339311599869

Mo -2.3598546379567091 -1.3654896799231864 3.6232773278803507

Mo -2.3598546379567091 1.3654896799231864 3.6232773278803507

Mo 3.5281034602979338 2.2172581104180864 -1.3470555667320891

Pt13 Mo42 configuration: ∆E tot = 7.34 eV

Pt 0.0618605191772856 0.1571609069255180 -0.0854121035031596

587
Pt -2.3537132808933077 3.0069029640090403 0.3617265554421436

Pt 2.7782879239888714 -2.2201346891210672 1.5774112835356202

Pt 3.0380915792526042 -0.1936837659252957 -2.9083661410542136

Pt -2.8125769849326159 2.9096181562517702 -2.3334019724138391

Pt -2.2324316776596946 0.2440333324434642 -1.4979443441245008
Pt 2.2705543985434766 3.0512846278383283 1.3029712572628851

Pt 0.4909212932178959 -0.9117912348039727 5.9916186946383920

Pt 0.8873533876948971 -2.1035121703641066 -3.9455671302790014

Pt -0.0099826090387856 4.5036261693782462 0.6199676242175549

Pt -3.0591440447939644 -0.8825078736333003 3.6977854948727567

Pt 5.3165174631971013 -1.6867351470821754 -2.2810613808746498

Pt -1.5360649859375937 -4.6393349676055449 0.4078948754539768
Mo -0.1939853064351111 2.0067959002614510 1.9321731447669137

Mo -0.3293423082074951 2.5704171297887846 -1.3855572695250826

Mo 0.0982392011799283 -1.7265946653918549 1.9409712994158852

Mo 0.2478090244315188 0.1935351415179733 -2.7303995355820971

Mo -0.2036276123412328 2.5237694190771225 4.7482863284619992

Mo 1.8055734417416358 -1.8653369918876210 -1.0812836430482200

Mo -1.2161039576438781 -2.1574436059965261 -0.5426113470953426
Mo -2.2994260333433170 0.3549452872881704 1.3368887293430456

Mo -0.6401117152506939 2.3456654075209502 -4.0975825652564941

Mo 1.7370964384819858 4.0215298979904395 -1.3158939773653646

Mo -1.4168406219907104 4.9495986985670157 -1.5256172774266017

Mo 2.3715278995780045 -4.7993347851676438 -1.4697093017434586

Mo -2.3918644564059117 -4.0097091647963055 -2.0311814977660876

Mo 4.2782502352623020 -0.4827525594832909 3.0132018068254034
Mo 4.0033088423020313 -0.4379236069997008 -0.3451555603656740

588
Mo -4.8647714906359196 -0.4877844623366983 1.8463521176771343

Mo 3.1215212945991269 -2.9639735351966894 -2.9351208964821756

Mo 2.0226439792266651 0.3165220693460413 1.6261215969506879

Mo -1.0133078457394993 -0.3439235960223921 -5.2480671134989905

Mo -0.4609404822324654 0.1350805458727011 3.7204797362018827
Mo 0.9127580813261034 -3.8237158093596242 0.4206633552030468

Mo -0.6036040015727178 -3.8772208875523622 2.9204982791986915

Mo 0.0566920277316627 -3.9169446209973953 -2.1986483746950207

Mo -1.2588799528168912 -3.8056328499035161 -4.2380238339564276

Mo 3.8891812983968976 -3.1374363261575939 -0.5697355107852098

Mo -3.9334265115772862 -1.3661116712502088 -0.1354499511312221

Mo -2.5245896607356952 -2.4867469894714165 1.6760776165521196
Mo 2.0164985480955844 2.3567903458052171 -3.1910963793021185

Mo 0.5852689104610849 4.1417724765410933 3.3618340902888013

Mo 0.1698823948258239 4.6866073649775570 -3.0968146794091878

Mo -1.7407380465849174 3.8552155028910975 2.7607585849372209

Mo -2.5850783532837638 0.8197610942445961 -4.1148085462908810

Mo 1.1769408142383695 0.8199860389197742 -4.9361853188846876

Mo -1.8452575900463308 -1.7176516282794263 -3.2461378020855460
Mo -4.6052926397988649 1.8954078191928603 1.9692111129615468

Mo -4.2562790603933340 1.3478652229388257 -0.2231269377809384

Mo -1.0405155473739833 -2.3495655724236095 4.4612599705556981

Mo 2.0098825202438229 -0.8704058400864909 3.9488455740568007

Mo 2.1053029016772289 1.6031723869046073 3.7368908946281358

Mo -2.5905014530692680 1.7232589150165396 3.6032484643256395

Mo 2.2760007631348471 1.4237875699523852 -0.8690431360743620
Mo 4.2904330487284925 1.2997986258342569 1.5958650400265735

589
 Pt13 Mo42 configuration: ∆E tot = 9.10 eV
Pt -0.9836471829824521 -0.3441336246873192 -2.6126063626777705

Pt 0.7961501669900596 -0.9122761436613473 0.9572028154207480

Pt -3.9342152325342714 -2.1378855421374570 2.3289193091215528
Pt -1.0345039780634129 -0.3866652452241255 2.9083449219781037

Pt 4.4846949450893012 1.7141981108303781 1.8742704552214993

Pt -3.3263733525048171 -0.0109945092672945 -5.3027753682221759

Pt 0.8324080616530264 -4.0527512935596128 2.7431655856558925

Pt -4.7500539074285379 0.9433888551160379 -0.9320447638123327

Pt 1.5781163291386657 -0.1993428359230507 5.0191028282183581

Pt -2.0347464535197024 4.1385595287232171 1.9428463971931274
Pt 1.5810077585256148 2.9227979195876910 -4.3245379126418770

Pt 0.3342735280733106 -3.3524214278855626 -3.4364663960129502

Pt 3.8925980846308046 -1.8563143551919439 -1.1366698512052593

Mo 0.7505491860608370 1.2139771891781350 -1.1176439401646163

Mo 3.0479945269727433 0.3768939771874045 0.0607775098573530

Mo -2.1492035322759624 1.4421942928493194 -0.8463288855481935

Mo 4.5753291710576596 2.8169626443679303 -0.5312954822720187
Mo -0.4841216780606462 1.6021519704645726 1.3009589022445505

Mo -4.0339728207766692 -1.6637684140966826 -0.2777649968566507

Mo -1.6559051131365981 -1.0554484451403170 0.0229825138392602

Mo 1.1630549032326480 -1.5708484010235992 -1.5850792835514127

Mo -2.2926066399000011 -2.1759637644425882 -4.2180862937825099

Mo 2.1569645746543240 -3.8793377839398775 -1.4477228488704454

Mo -0.0333899856262153 -3.5007157614708890 -0.1352914374116566
Mo -2.9294867309848915 1.7205059953924688 -3.2924581105632069

590
Mo -0.9648447571678250 0.9520497602012312 -5.0529264141743981

Mo -3.3160567175975477 0.4412885445802455 1.3807663330314246

Mo -3.5743973791795161 -0.7375580480171096 -2.7118306697616430

Mo -2.3633868224133043 -2.4256399418295476 4.5135020899460372

Mo 5.2444617191579672 0.6626954455304144 -0.9040393592517447
Mo 2.1832948941211465 2.8633376395374310 0.6440107644328733

Mo 4.1043379781173561 -0.3000083667019766 -3.2134798911280495

Mo -3.8977295262380669 2.8099032765079497 0.7860179179937109

Mo -1.7726168207713049 -2.8408820256387375 -1.9127500852168040

Mo 0.5756014323431199 3.5364899115189528 2.4093533316010327

Mo -0.0731735200695315 -1.1708682980474265 -5.1142489356750263

Mo 4.2098909795342072 -1.0995784408323630 2.1366655624465172
Mo 3.1415023157083817 1.9302484945698211 -2.3086680890516544

Mo -0.5576406183418360 2.5986920272057543 -2.8346978580587074

Mo 3.9852718556512907 0.2738483920270880 4.0020321726240766

Mo 2.3609342985846093 -3.1145605882652236 0.7668908922392820

Mo -1.2282003071722163 0.0623515845231703 5.4895901005218732

Mo -2.2120491808299794 1.9970625623064364 3.4710959710078062

Mo 2.5532635087480595 -1.7794388390477025 -3.8200748234213830
Mo 1.3612464577275456 0.3916173489400279 -3.6817832999139637

Mo -2.8515656703842187 -3.7553451039988803 0.3136877524962149

Mo 2.2137343534927960 -1.8107016317538751 3.0542484987343319

Mo -1.3526577708381073 -2.8385791460245886 2.0136447392058234

Mo -0.1535909473309974 -2.2603533861135392 4.6258681218779643

Mo 1.4939527362620733 3.7542884642240861 -1.7453383243783847

Mo -0.4600505664228652 3.7187373434410316 -0.1983701111439061
Mo -2.8929045927608148 3.6744068720900427 -1.1912231957993000

591
Mo 0.0085971379758259 1.8302672451301585 4.3246264156529621

Mo 1.9978927542707505 0.9153632792123829 2.5493313147730210

Mo -3.3140318524618384 -0.0718973113207426 4.2462997732326428

Pt13 Mo42 configuration: ∆E tot = 10.80 eV

Pt 1.8429445649054332 1.3445952520356346 1.4661320345447455

Pt -1.2467714734892013 -2.2208742336291225 1.0924939439498693

Pt -4.6447348354541758 0.1349065146713455 3.7158578624608016

Pt -1.9550046994509300 3.7065027090592624 -4.0612019660970491

Pt 4.0000463869602427 2.5468991246872639 -2.6521165963697975

Pt 0.6489535881791737 -4.6355628198974159 0.0101190113155401

Pt 1.9102083238612584 1.3788057704956291 -1.3929929809111912
Pt -1.9688365862078834 4.1375235768127485 1.2835827580687480

Pt 0.3669760874982491 -0.5706813036540481 2.6668147087708207

Pt 0.6777797391345233 -0.7562034825707213 -0.1939885264237069

Pt -1.2662606049242624 0.8303915917543647 1.0119709072299383

Pt 4.0118113012169028 2.3785764793864361 4.7892697005930014

Pt -2.9814788316279843 -2.9213642998456928 -2.3771520419676717

Mo -4.5031766557705355 -0.1887228177652727 -1.8841541155633024
Mo 4.2661935301687652 1.6925602936697226 0.0590631011346385

Mo 1.5339650262451705 -2.6535777800754872 1.4697338713380870

Mo -2.0660478637984587 -4.4286956645491520 -0.2224153044766788

Mo -1.0066410208975782 -2.5333610561484727 3.8515670158369710

Mo 0.7852517908240941 -0.6713472968230634 -2.8927547683735533

Mo -0.1654089686838260 2.1035211721312077 3.1592745501260491

Mo 2.3542700160805943 -2.6091516184528611 -1.3775520927996225
Mo -2.3924783113426131 -0.7452640625294777 -0.9791497772174527

592
Mo -2.0412508634492044 -0.7184414544663515 -3.6371847867910660

Mo -3.9344137098895171 0.0447216388990163 1.1537140952751874

Mo -3.4334190292051749 -2.0811673821076875 2.6053599463501529

Mo 0.2925909674253844 3.3692198470875967 -2.6334264233135762

Mo -1.7915253897183396 3.7830589046887244 -1.3563937226372553
Mo -0.0231969211514425 -4.3068723706714325 2.5962952477934396

Mo -2.4920177585453600 -4.3777170797442855 2.1227632573100035

Mo 3.3961032219934024 -0.5783567512980476 0.2640534725974715

Mo 3.4302786061223145 -0.6792448613099653 -2.3421326920827661

Mo -3.1199892271694800 2.0300839864105842 2.4088181820277477

Mo 1.2826068326936217 -2.1986816298312419 4.4312928219046972

Mo -2.0803050176507005 0.1093647883881576 3.6088595465233380
Mo 4.3137003700647600 1.2526876841266696 2.3681710242951106

Mo 2.8036935623321675 3.8039488550044114 0.8856100622765279

Mo 2.3155694675892953 4.0165434643030187 -1.3778282839677185

Mo 1.9747807582616146 0.8043826398641314 4.3163165444999940

Mo 2.0556772112509858 3.2716490997608547 3.3041062662854324

Mo 0.2249780361241018 3.1041730520938855 0.2750088346655861

Mo -0.7200382095448983 1.3653768490445592 -4.2686185566761603
Mo -0.4054600228991989 -2.8123266076607871 -1.7351007157626419

Mo 0.6177684625842412 4.6955145478347626 2.0920032644546223

Mo -0.7767781405351559 -2.7302453247098777 -4.2850782140626373

Mo -3.7433170708992298 -2.6869363253250960 0.1940361723747444

Mo 3.1301383264278044 -0.9363162645619276 2.7036306646376818

Mo 1.7308270455169223 -2.9774161044518470 -3.8213759579951203

Mo 2.0234708255043063 1.3820907035515155 -4.0813463961420622
Mo 0.0648515156559821 -0.1381695504441938 5.2589688065027902

593
Mo 0.2998926182331103 -0.6598974955767805 -5.4214205818338188

Mo -0.7489284156320923 1.2257141277392898 -1.6851164548343440

Mo 2.7273908088661862 -0.5952706660046569 -4.9179332172630543

Mo -3.2704498144635501 2.0287617776022642 -0.2527558275041590

Mo 0.8126028171786348 -4.7042021480534801 -2.6274675100329050
Mo -3.1173923664984562 1.5744940010553838 -2.6882301640444251

Pt13 Mo42 configuration: ∆E tot = 14.77 eV

Pt -0.0159533636267438 1.3266566633231285 -2.2549456294437804

Pt -0.2226539924862661 -1.4725504455916381 2.5193153545006948

Pt -0.1014569990748070 -1.6417000030814834 -2.4160256918331258

Pt 1.3856957917218782 2.3749430320731721 -0.0820127646828568
Pt 1.4567103543555990 -2.3243456466912296 0.0143693998593089

Pt 2.4194146504378069 -0.2096417643778652 1.6778441465421177

Pt 2.4978142793771441 -0.0024407702552070 -1.2543687125436223

Pt 4.4906191218497238 0.7726442956285318 3.1044893100676672

Pt 4.4582114404762674 -0.0723475086823287 -3.1800000412117968

Pt 4.4176609747667097 1.0107184188029481 0.3403962724685850

Pt 3.5327241761232586 -2.4158191641452209 -1.9320062830212934
Pt 3.5330324156746173 -2.9353880974295112 1.6946068232967013

Pt 3.6455790440197604 2.4079059102671851 -1.8441633404615048

Mo 0.2326094524154231 -0.0750114332641390 0.0113336822415575

Mo 0.1400108949186235 1.2902602022548666 2.2519309198304325

Mo -1.3178622969737657 2.2084225388849279 0.0012286660657888

Mo -1.2817257704825462 -2.3364580341568217 0.0563082132114128

Mo -2.1917203169726860 -0.0028175799379413 1.3731765571389938
Mo -2.1483043343214319 -0.0941115629492673 -1.3774527531978138

594
Mo -4.4277120142587396 -0.0783763605515746 -3.1020325457958635

Mo 0.3304416742143618 2.9332512498726788 4.5361845561173384

Mo 0.3236862175523415 2.9014691389044986 -4.4850142605129957

Mo 0.4470155473571596 -3.1538185676181758 4.4925532978794722

Mo 0.2403656594872305 -2.2206626225053316 -4.9960585846721823
Mo 3.1484370117027312 4.2536259688500575 0.0025048667696448

Mo -2.6768687097878767 4.6324073164979023 0.1568054581608360

Mo 2.7952700621592954 -4.6046328190325188 -0.4297364471295552

Mo -2.6709540942910706 -4.6909148529734512 0.1234437953660612

Mo -4.4088659416977780 0.2599309459708893 3.0238170091581122

Mo -0.4218890513709196 4.6557269452567249 -0.1669974672151526

Mo 0.1718390160776041 -4.6861172814565908 0.0958801569037784
Mo -4.4193861220082855 0.0009912198973825 -0.0904638122481729

Mo -0.0948064148761686 -0.0047519465767907 -4.6255835418154856

Mo 0.2701932934619778 0.0104397877347923 4.6578575403506095

Mo 1.2385830394270900 -3.6836909597799110 2.3001080818704236

Mo -1.7010425687004809 -3.7225095419076712 2.0837793931929594

Mo 1.3599103118513287 -3.9907824866089516 -2.0205379609051435

Mo -1.6991467957404691 -3.8158656875038321 -1.8584273194089165
Mo -3.6618349415967884 -2.1581850432907448 -1.3095125582819791

Mo -3.7161046055941198 -2.1268118746502882 1.3616701677407728

Mo 1.2856778790649830 3.6274339601460457 -2.6497466834439209

Mo 1.0288612866568687 3.7275211745041150 2.2201898058666996

Mo -1.3552271085442638 3.6133807632439772 -2.2720514305576942

Mo -1.5227211646762779 3.5061053548239403 2.3123074500008931

Mo -2.3481355781571494 1.4739319719599264 -3.5155966369432137
Mo 2.1893296349060791 0.9756112746422743 -3.6716760501676320

595
Mo -2.5713475771047825 -1.2783703687402708 -3.6519525205108452

Mo 2.1767915666957038 -1.4310909138431513 -3.9717230996031518

Mo -3.6107440816594418 2.0965401200371838 1.3961694190072000

Mo -3.4783507446213178 2.2485028876084772 -1.4475013891432256

Mo -2.7443846004625612 -1.1905469567711024 3.5783512667001856
Mo 2.0712098729100092 -1.6308041274714371 3.8838249973241870

Mo 2.0969892736295379 1.3767946626853802 3.9517991226914728

Mo -1.9572819537856188 1.5055401285839554 3.7032177317112525

Mo 3.3817971995812486 2.8598084893894895 1.6801240627157688

Pt13 Mo42 configuration: ∆E tot = 18.97 eV

Pt -0.9108928721055469 -0.4133261043536462 -2.6316316742439008
Pt 0.9039840179547640 -1.4591235845217128 0.9560269344383850

Pt 0.3640157742430292 1.7885818492674301 -1.5191911697414762

Pt 2.7672619107831955 0.3771762034027227 0.5689007850430722

Pt -2.1102347865118607 0.9345606929710399 -0.4689773749983491

Pt 0.3454107630133885 1.3895009851743112 1.2527488067724657

Pt -1.6924116342296538 -0.1023263086326031 2.2538013005450228

Pt 3.8300823123023258 -3.8048740830751715 0.9644526817386591
Pt -1.4311976830222133 -1.7390696213779018 -0.1424826582746133

Pt 2.6846612387627871 -2.4007230346081156 2.9901086240882431

Pt 4.1114782440543856 -2.0542062956757459 -1.2460286009904240

Pt 1.6322743761492335 -0.7208835854619111 -1.5946875511554395

Pt 4.7166835697543092 -1.2604325368135769 1.3316387752395002

Mo -3.7307060781444137 -0.2021796382393854 4.0329783818328409

Mo -2.2364647381046265 -2.5355364724196927 -3.7702628605736361
Mo 1.9064401706588578 -3.3236158613153601 -0.6225767852374237

596
Mo -0.7090570751743210 -4.3438823082829172 -0.0452795482339008

Mo -2.5539092415613922 1.7621150093534319 -2.9938772265899596

Mo -0.5092577540414531 1.5317604981966997 -4.4870181115768339

Mo -2.1296276449214440 -0.0705324345203801 -4.9916527089908236

Mo -4.0855767144913360 0.8205009861235253 1.5124783901423087
Mo 1.0577974847445202 -4.0703165795387299 1.5129291100073030

Mo -3.5554461253455463 -0.6199470229360644 -2.7487494288590977

Mo -2.0040715945467076 -2.6067248870368287 4.6717233603552071

Mo -3.7072907251088467 -1.9521834145270565 2.3579517475201537

Mo 5.1401545119690697 0.6225536701910057 -0.5623252230408157

Mo 2.4029819041594056 2.9487887996980615 0.4380029036414056

Mo 3.8400581814786303 -0.3250856803366586 -3.1660209128003212
Mo -4.6818518406848852 3.0033722767865263 0.5977911412032791

Mo -2.9438600303953839 -3.2280317671295156 -1.6813704352344097

Mo 0.5104491556030710 3.8682041932046261 2.2676071961645157

Mo 0.2204040648540049 -1.5510776557585997 -4.7544144103112238

Mo 3.0259601724591696 1.6573100002643142 -1.9640295085331045

Mo 4.7699082760897769 2.9693831470952841 -0.7471993743998363

Mo -0.9963904971707231 3.7703722750346831 -2.5986919540370450
Mo 3.4829729817088144 0.2023265421228855 3.2048480207925656

Mo -3.9648988188153336 -1.0755852801221604 -0.2293556473545442

Mo -1.2540814848112636 -0.3404190726439275 4.8316651855692374

Mo -2.9914588601044811 2.1028559623393281 3.7401744706844511

Mo 2.0222873390193832 -2.4786724488649083 -3.4586815357441636

Mo -4.6429554730360438 1.4926480003621940 -1.1652441948228813

Mo 1.7803933719893339 0.2664540532687321 -4.1426023366398717
Mo 4.6665603454656504 1.8179701908722918 1.5350424413969328

597
Mo -3.2002223435741368 -3.6298205282323122 0.7968598632682601

Mo -1.0682008876276636 -2.7422382007918777 2.3439880560247071

Mo 0.4225994554560897 -2.6358857229566932 4.3881848231763465

Mo 1.7641691615202133 4.2164464653635978 -1.6227631223961767

Mo -0.3041659950404356 3.9245372232982869 -0.0168988854209174
Mo -2.8106634554469707 3.6290904860972342 -0.9980146018514332

Mo 0.8766393522279388 -0.4149774361218621 3.3516866856574636

Mo -2.0496799483224519 2.7317371997144542 1.4699646799164641

Mo 1.3870340826359342 3.0885901779589426 -3.6424797061540017

Mo -0.5745776928279969 1.9875521141135517 3.7661570680999592

Mo -0.0869195644423994 -2.9130347547299809 -2.1997306395080427

Mo 2.3034093405522462 2.1103233187501300 3.0745267543959138

Pt13 Mo42 configuration: ∆E tot = 27.06 eV

Pt 0.0000001454545453 0.0000001454545453 0.0000001454545454

Pt 0.0000001454545453 1.4369099256092221 2.2506764068561598

Pt 0.0000001454545453 1.4369099256092221 -2.2506761159470692

Pt 0.0000001454545453 -1.4369096347001316 2.2506764068561598

Pt 0.0000001454545453 -1.4369096347001316 -2.2506761159470692
Pt 1.4369099256092221 2.2506764068561620 0.0000001454545454

Pt -1.4369096347001316 2.2506764068561598 0.0000001454545454

Pt 1.4369099256092221 -2.2506761159470692 0.0000001454545454

Pt -1.4369096347001316 -2.2506761159470692 0.0000001454545454

Pt 2.2506764068561624 0.0000001454545453 1.4369099256092221

Pt 2.2506764068561598 0.0000001454545453 -1.4369096347001316

Pt -2.2506761159470692 0.0000001454545453 1.4369099256092221
Pt -2.2506761159470692 0.0000001454545453 -1.4369096347001316

598
Mo -4.6463600955333995 0.0000001454545453 -2.4010523699098405

Mo 0.0000001454545453 2.4010526608189267 4.6463603864424909

Mo 0.0000001454545453 2.4010526608189267 -4.6463600955333995

Mo 0.0000001454545453 -2.4010523699098409 4.6463603864424909

Mo 0.0000001454545453 -2.4010523699098409 -4.6463600955333995
Mo 2.4010526608189267 4.6463603864424901 0.0000001454545454

Mo -2.4010523699098405 4.6463603864424901 0.0000001454545454

Mo 2.4010526608189267 -4.6463600955334003 0.0000001454545454

Mo -2.4010523699098405 -4.6463600955334003 0.0000001454545454

Mo 4.6463603864424909 0.0000001454545453 2.4010526608189267

Mo 4.6463603864424909 0.0000001454545453 -2.4010523699098405

Mo -4.6463600955333995 0.0000001454545453 2.4010526608189267
Mo 0.0000001454545453 4.7100441869989922 0.0000001454545454

Mo 0.0000001454545453 -4.7100438960899069 0.0000001454545454

Mo -4.7100438960899069 0.0000001454545453 0.0000001454545454

Mo 4.7100441869989931 0.0000001454545453 0.0000001454545454

Mo 0.0000001454545453 0.0000001454545453 -4.7100438960899069

Mo 0.0000001454545453 0.0000001454545453 4.7100441869989931

Mo 1.4334654130008189 -3.6475443526850397 2.2277695919749032
Mo -1.4334651220917332 -3.6475443526850397 2.2277695919749032

Mo 1.4334654130008189 -3.6475443526850397 -2.2277713010657978

Mo -1.4334651220917332 -3.6475443526850397 -2.2277713010657978

Mo 3.6475446435941254 -2.2277713010657982 -1.4334651220917332

Mo 3.6475446435941254 -2.2277713010657982 1.4334654130008189

Mo -3.6475443526850393 -2.2277713010657982 -1.4334651220917332

Mo -3.6475443526850393 -2.2277713010657982 1.4334654130008189
Mo 1.4334654130008189 3.6475446435941254 -2.2277713010657978

599
Mo 1.4334654130008189 3.6475446435941254 2.2277695919749032

Mo -1.4334651220917332 3.6475446435941254 -2.2277713010657978

Mo -1.4334651220917332 3.6475446435941254 2.2277695919749032

Mo -2.2277713010657978 1.4334654130008189 -3.6475443526850393

Mo 2.2277695919749032 1.4334654130008189 -3.6475443526850393
Mo -2.2277713010657978 -1.4334651220917332 -3.6475443526850393

Mo 2.2277695919749032 -1.4334651220917332 -3.6475443526850393

Mo -3.6475443526850393 2.2277695919749032 1.4334654130008189

Mo -3.6475443526850393 2.2277695919749032 -1.4334651220917332

Mo -2.2277713010657978 -1.4334651220917332 3.6475446435941254

Mo 2.2277695919749032 -1.4334651220917332 3.6475446435941254

Mo 2.2277695919749032 1.4334654130008189 3.6475446435941254
Mo -2.2277713010657978 1.4334654130008189 3.6475446435941254

Mo 3.6475446435941254 2.2277695919749032 -1.4334651220917332

Mo 3.6475446435941254 2.2277695919749032 1.4334654130008189

Pt20 Mo35 configuration: ∆E tot = 0.00 eV

Pt -1.5821407525658691 -3.6343428099306219 2.3322415427456225

Pt 1.3156704662408871 -3.6969640493502034 -2.2303667658334203
Pt 1.5816088595960152 3.6349361323343596 -2.3321667257295404

Pt -1.3155676513801215 3.6967619221059289 2.2307122237641170

Pt -2.2502459013695955 1.3889508186330717 -3.6441769177171004

Pt 2.2502309187279192 -1.3888238634739010 3.6442006150534856

Pt 3.8011372430910559 2.2693207834228772 1.2663394736539859

Pt -4.5728917950528807 0.0636786769362600 -2.7417683246594455

Pt 0.0391713746473069 2.6779524069712792 4.5979212340556490
Pt 0.0485701609536209 2.7402895877050519 -4.5739278226215543

600
Pt -0.0489295234371054 -2.7400603090067945 4.5740296021558891

Pt -0.0381712119401962 -2.6776585620407682 -4.5980705492706706

Pt 2.7267365730679689 4.5629896026553514 0.0595281791532254

Pt -2.8762509152388800 4.4705700619330750 -0.1014868852447346

Pt 2.8754685976842875 -4.4711027208897418 0.1023669801349214
Pt -2.7265573706617925 -4.5630724496187653 -0.0595847758503021

Pt 4.5729580824985163 -0.0638240561728221 2.7414134940426838

Pt 4.5770200477985483 0.1387863981880650 -2.7793253559659017

Pt -4.5768760404836808 -0.1389716709319424 2.7795882550345183

Pt -3.8009421465654305 -2.2696295630442984 -1.2673161982748880

Mo -0.0000823212919200 0.0000841453469731 -0.0001103912179883

Mo -0.0086724582101242 1.4037240427502216 2.3379490526766595
Mo 0.0221058749180041 1.5087024707862027 -2.2812693483214810

Mo -0.0221366702869312 -1.5085943481195503 2.2812857086179470

Mo 0.0088644905688454 -1.4035395867150509 -2.3381359173517486

Mo 1.4207641717108392 2.3601421856817373 0.0248754961050716

Mo -1.4550238760842760 2.3015205795198881 -0.0088806871732665

Mo 1.4549113967046692 -2.3017851601320909 0.0091554536969573

Mo -1.4209546530848507 -2.3600395809398362 -0.0253195924629235
Mo 2.3238810659590716 0.0887798423227379 1.4364885871450792

Mo 2.3060757318985776 0.0266930303227186 -1.4208355295585211

Mo -2.3060144620641241 -0.0266870139479638 1.4208741680694266

Mo -2.3238433879516212 -0.0888696404391143 -1.4366061586269632

Mo -0.0728840389944247 4.4762969493839568 -0.3125154039719667

Mo 0.0725220798985860 -4.4761646259101751 0.3130615387730439

Mo -4.5660927144680770 0.1430477398051539 -0.0609141135397200
Mo 4.5660804068527927 -0.1438913279404528 0.0605810964907276

601
Mo 0.0703590344749088 0.0083762689462097 -4.4876806775779201

Mo -0.0700360577267478 -0.0080109568703211 4.4877453977797508

Mo 1.2651540629201068 -3.7762226358497051 2.2532111391113832

Mo -1.6032977041397127 -3.4368609809596125 -2.3987601160692549

Mo 3.8449893581374668 -2.1218937563852527 -1.2003226660139734
Mo 3.6592770404897750 -2.2142089565163396 1.3330556197843182

Mo -3.6729073108973664 -2.2082235291252985 1.4126273172714010

Mo 1.6038565104424602 3.4368850820651811 2.3983133003077644

Mo -1.2657068933721560 3.7762641267870158 -2.2526812164271126

Mo 2.1864758808521714 1.3233494694299186 -3.7893651263390709

Mo -2.3605739525924490 -1.5255114476510936 -3.6130571124689439

Mo 2.2319352622237796 -1.1322543268673144 -3.8099979645581641
Mo -3.8451351540846894 2.1208407919827881 1.2007532773422012

Mo -3.6595616516904381 2.2138688763341046 -1.3328276196207367

Mo -2.1866590192087516 -1.3225839707215192 3.7895226970244598

Mo 2.3612080281192376 1.5256009341884773 3.6128744577709568

Mo -2.2311824749543527 1.1328512052727548 3.8104158049703383

Mo 3.6723053893211453 2.2085277677391852 -1.4136617502642712

Pt20 Mo35 configuration: ∆E tot = 2.10 eV

Pt -4.2034664091760590 0.0551452112080207 -1.7080518671763671

Pt -1.9720468611383526 -4.4508514879060268 -0.6172854229149907

Pt -1.1399321921544756 1.8286580861116655 3.4771112356377651

Pt -5.2085912151148932 -0.3761263198975708 3.7016706633933589

Pt -3.6049074487033295 -2.2562846512477015 2.6267616925077171

Pt 4.1949105764057606 1.0981415164090524 -3.0985266595418621
Pt 0.4573463594876868 -4.6006676909138857 3.4645379174576059

602
Pt 3.4267831906645938 -0.9826911322066731 0.5729176572263848

Pt 4.9308335220970179 0.7863476225590411 2.1684616996308685

Pt 3.0185870669240700 3.6919420640399703 -2.3475354214895972

Pt 1.2699580022130303 3.5336181550692438 -0.2726801991824048

Pt -1.0293366983287913 2.6243639995757273 -4.4186182847860502
Pt -0.8131233424735316 -2.1347802202043531 -4.5776982803052713

Pt -0.1042040198163792 -0.1811344656444102 5.2309692351658592

Pt 3.6772337023698753 3.1470057907988500 3.0355420085981715

Pt 2.5801243332042247 -0.6186646653577039 -4.7434026296525085

Pt -3.1395163443512644 1.7532568927824972 0.0313259376907818

Pt -2.9749650438595410 -2.3276892801250475 -2.7255330202244337

Pt 0.6698895074591034 -5.1597007340012677 -1.6820023885234308
Pt -2.1394814797297244 4.7503508385355335 -3.1723720701137110

Mo -1.4247001703309794 3.9555752858586355 -0.8035480183970536

Mo 4.6759704818665879 1.4689997910373827 -0.3655804538746723

Mo 1.7156540746981077 -2.6515533906641386 1.9934180994838195

Mo 2.4684355440764705 1.4635461999137593 1.4668644230474408

Mo -0.8839337204861553 -2.2831566860405750 3.3750667765494891

Mo 0.6489814057158154 -0.6199821714655851 -2.9393012543808381
Mo 1.8649339007625227 -2.9462319823668586 -0.7049424184130417

Mo -1.6591719090912707 -0.5146612738621226 -1.1566116184257582

Mo -2.0668309649490908 0.0524114942190526 -3.6625994365513477

Mo -0.7004161847555255 -2.4323093897507184 0.7655947035812583

Mo -4.6072343588244138 -0.2568632225329050 1.0461926300435360

Mo 0.4090966451613125 3.9964626426582393 -2.7158766016049625

Mo 0.3708829243956300 -4.6366788872035354 0.8937512823875868
Mo 2.3014363802100632 1.3207312639729398 -1.2796816269586360

603
Mo -1.9710323426461971 -4.2097624594552681 2.0656595687781172

Mo -0.4766312654180498 1.8487612007467853 0.7915286314006673

Mo 3.0779210447710597 -1.1314159648958562 -2.1331863927145789

Mo -3.6356724180877364 1.3865315123359157 2.6918831197095194

Mo 0.5161712640072549 -0.1616005714820882 2.6584350683274245
Mo 0.8190069450044601 -0.5198002677146913 -0.1257099623050821

Mo 1.4676561149730387 -2.2039857083323304 4.4563374553245190

Mo -2.5755145842066298 -0.3660944449343386 4.1973553810208708

Mo -2.0533322966793577 -0.2263856303012285 1.6407590972453798

Mo 3.8314649157074001 3.3917097756336498 0.3255693609312554

Mo 1.7011421016139676 1.6252652604977904 4.1277468078001656

Mo 0.8999762257196122 3.2249206168753042 2.4861097976426727
Mo -0.4956401576976364 -2.9233586043930493 -2.1448866214780522

Mo -1.9343280527642437 3.6037424006224748 1.5264985728718026

Mo -3.2695334572429005 -2.1104526797072274 -0.0968316406902703

Mo 2.8610839942361110 -0.5369304215194912 3.2981767265086561

Mo 1.8493743790641870 -2.9702487501468702 -3.1912257561692470

Mo 1.6605730687696647 1.7313152365679010 -3.7645493436188828

Mo -0.0261354889191809 0.4236090961384154 -5.1713853283425246
Mo -0.4043554182198934 1.7364277746494654 -1.9605338352757415

Mo -2.8513938264130303 2.2912234254562045 -2.5360889968513773

Pt20 Mo35 configuration: ∆E tot = 3.79 eV

Pt -3.0956255676233608 -2.8018678432564372 -4.2090630960099267

Pt 0.9625704439054316 -3.8462456162494392 -1.7624953253382767

Pt -2.8749171337035078 1.4932909984526161 -3.1536916826167793
Pt -1.6555806938010451 -2.5056950914717135 4.6527361921663193

604
Pt -3.7835804790075285 -1.7864257687980882 2.7444204914852026

Pt 5.2462256099101383 -1.0520082730129503 -0.3076513284884028

Pt 2.1340857603592669 4.0464457455646023 1.2166805012502704

Pt -4.7413381019534908 2.9847984132786620 0.9129101260647912

Pt -2.7657262514219125 -3.5953102969544859 -1.5491449429426591
Pt 3.6687940686928870 2.0139064563405298 -2.5725750388880311

Pt 4.2515804037644616 3.1414339887678948 -0.0840365011035529

Pt 3.7746671497090292 -3.6027658279358890 0.8935487680124290

Pt -3.7345291233229458 2.3051381808034193 3.7459950023629927

Pt 2.0891860903792407 -2.3183957426106105 -3.9195337450955616

Pt 3.5167765516332681 1.7614176841618785 2.2962056599184462

Pt -3.4656911740329575 -4.0102754940160770 1.0733800805975915
Pt 3.0080608025327651 -2.9282320096186170 3.4515535592434117

Pt -2.8761615327427590 3.3952215950917348 -1.0996540913163084

Pt -2.1537000256517329 3.0809785686643294 1.6121013955596357

Pt 3.6238087081538852 -3.0987962549061536 -1.6735482341198331

Mo -0.7595663080683325 -4.2941670414785369 0.1559438846656669

Mo -0.6050640908345771 0.0456651576509812 -2.8146190414891361

Mo -0.3220070257282431 1.7516046231916902 -4.8340346883589538
Mo -2.1231491200890700 -0.4308625502598234 -4.8274142204100761

Mo -3.7811240806899518 0.7012554766555551 1.5739963940009756

Mo 0.9211327996108279 -0.6038149810758059 0.9029285476189739

Mo 1.1497952625122960 1.5151631916794286 -1.4468663125690266

Mo 3.1945511002548104 0.8332573784420928 -0.1593560150219402

Mo 1.2573230488695768 -3.1481671712472861 1.0261671112687236

Mo -3.0176712656245028 -1.0332799033292503 -2.2404461336090815
Mo 3.8045775081171174 -0.5600500600683264 -2.3485484541228328

605
Mo -1.6744644789072995 1.0569404925843826 -0.3881960839220808

Mo -0.0360040343775440 4.3877537617626468 2.5295967475922549

Mo 0.0627834760707456 -1.1692551097067594 -5.2737652446340624

Mo 3.4194547066192031 -1.1369854902058507 1.5245401659800177

Mo -0.7409027984160049 2.9717715510198190 -2.6795993069154189
Mo 0.3863577274173308 1.9770198911208978 1.3724038466484711

Mo -1.4314207044777478 -0.1617967029432408 2.1212848292796775

Mo 3.6894168947764543 -0.3676120722384640 3.7916659060239577

Mo -3.2720407693646960 -1.5199648295968076 0.1560673231858130

Mo -0.4355528575877970 -0.0492324340799031 5.0545497103594279

Mo -0.8390251579106293 -1.8905839557734851 -0.6993842687791541

Mo -4.1685478982185371 0.9754164432186142 -0.7851665987960372
Mo 1.7022873289207294 0.4282121192721262 -3.9120933567127150

Mo -1.3819531014398510 -2.7337178602110641 1.9313528196064613

Mo 0.6175026101378590 -2.1259511306849732 3.4135499008262014

Mo 1.9383753945416768 3.7732001420264907 -1.3770824490783991

Mo -0.3261895452820939 3.7388026383284170 -0.3157131986092294

Mo 1.4451144942602068 0.3112115822947969 3.3088409073710134

Mo 1.5174581574333499 2.9926369788280538 -3.9377045408184710
Mo -1.0112366207531980 1.9627040213307310 3.8559707988387015

Mo -0.6632271165632376 -2.5242419353278422 -3.3679771964413572

Mo 1.7330808490723624 -1.3456598624499407 -1.5315218573537503

Mo 1.3078535615761209 3.0028896082631973 3.6656360468119584

Mo -2.6868234516364877 -0.0067753792877797 4.2868562368216692

Pt20 Mo35 configuration: ∆E tot = 6.12 eV

Pt -0.9187810382810829 2.0211159891693256 3.5174208894221946

606
Pt -5.1859246878710188 0.1869664780944427 3.4165025136997746

Pt -3.9182226597917764 -2.1082432705779452 2.7981350028042300

Pt 0.3314149675308401 -4.4313292813465361 2.6084369265318585

Pt 3.8516223062107833 -1.2812411007848870 0.4750095703271455

Pt 5.2086005111781386 0.6567473420395199 2.1349306796187233
Pt 0.5235584820483913 3.9819012643603267 -0.4173776208378910

Pt -0.1738834290092713 -0.2718884149962958 4.9346378070742425

Pt 3.7634072995279473 2.6834146832250387 3.1368468373946978

Pt 4.6058193909085219 1.2321943371300830 -0.3918602320548264

Pt -1.3501414731407799 -2.3923596787735861 3.6165103556343534

Pt -2.4726321532604936 -4.2065326034741162 1.8407112011042597

Pt -3.4792194720475851 2.0999783404084309 2.5581474289265134
Pt 1.2847664441208715 -2.4699708781303022 4.2674320250100468

Pt -2.7159878867089495 0.0303460852629505 4.3395850684561061

Pt 3.2248113440190589 3.4877201216006539 0.5781318609747024

Pt 1.6819404799192927 1.4115526740227657 4.1353535514404953

Pt 1.1723386173901547 3.3583297486601542 2.2944308480548470

Pt -1.6594970014072106 3.8467006698151156 1.4820199370801181

Pt 3.3917538230397777 -0.9827234870453038 3.2630125677068142
Mo -4.4451967163307193 -0.2545800256377799 -1.5350129308563654

Mo -1.5204390805984194 -4.7678075332201235 -0.5826139750873565

Mo 4.1796578374320692 2.0114143331130991 -2.8197377596013524

Mo -1.9550356012607788 4.1459173709593395 -1.2295623829747355

Mo 3.0122922564588124 3.7784668658526033 -2.0770627030895499

Mo -0.7907637568564351 1.6501807542575044 -4.4258842046638662

Mo -0.5866694908435180 -2.5844369583530740 -4.2902500775163706
Mo 2.9012170304555318 -0.5417037029954416 -4.4005765779250865

607
Mo -2.8859763175922821 2.0221556433144845 -0.0056669976838064

Mo -3.4090821880886533 -2.3048802813074869 -2.2872043857172626

Mo 0.3382903309651119 -4.6128855973914957 -2.3259603869366856

Mo 2.0157439537603197 -2.5960159490892898 1.7299825607490751

Mo 2.7181169672879446 0.9676978346548594 1.6077168444504464
Mo 0.5571920986925191 -0.4056322952246433 -2.6972357774164384

Mo 1.7481096383444188 -2.6419751232690580 -0.8925197340130970

Mo -1.9063630212048712 -0.2523803481249358 -0.7816122745517227

Mo -2.0329503868445404 -0.3594501424370222 -3.4082282500419372

Mo -0.6145938402130483 -2.5925260692621266 1.0420502391677129

Mo -4.2095691503669741 -0.0751307851727152 1.0591336423649953

Mo 0.5089669833715299 3.9509873080607218 -3.0531692976551632
Mo -1.9599036002009103 3.9171853750735663 -3.5444591245342232

Mo 0.7231772594378628 -4.8986729936741460 0.1186205116781251

Mo 1.9790945289949957 1.7309644411850929 -0.9304879657124863

Mo -0.3109068064949697 1.7024575337169210 0.9550146682562963

Mo 3.1069209233717268 -0.4133865524176629 -1.9219279275764038

Mo 0.8085456037739899 -0.5385648447597152 2.5278729578042110

Mo 0.6906721020633094 -0.4378433015214071 0.0024826084624150
Mo -1.8601889150749435 -0.1184395309883317 1.9700343137593364

Mo -0.9014743105791824 -2.5621742121163291 -1.7270706818811465

Mo -3.2108060535209968 -2.2472239372553040 0.2198266126909844

Mo 1.7217281798486617 -2.5956964158765015 -3.5868155687375074

Mo 1.7172534821536414 1.7727928347773252 -3.6435348012166449

Mo 0.5200551470052058 -0.5317375063097628 -5.2283757959234904

Mo -0.6545176224910844 1.9622409839642236 -1.8671315195149716
Mo -3.1583413292309381 1.8680038088147672 -2.5586510769243418

608
 Pt20 Mo35 configuration: ∆E tot = 8.58 eV
Pt -0.0168422311259631 -2.7856412801417063 4.5430989433905253

Pt 0.0808566459570701 -2.6311160672051583 -4.6553493346257326

Pt 2.8312201639189283 4.4780831105081917 0.0137181973329160
Pt -2.9392852060934445 4.3902392641274419 -0.0273314510317632

Pt 2.8948554067201968 -4.4612648068080913 0.1240511945470456

Pt 4.6785567266716424 0.0221059664213447 -2.7389871027851527

Pt -4.5528683321671357 -0.0541258013165758 2.7957106637989382

Pt 0.0227826725472655 -0.0482206056384938 -0.0252359343043124

Pt -4.6500850298420309 -0.0793006448645484 -2.8157658799931866

Pt 0.0732109310900741 2.8733285947370435 4.4454763722422754
Pt -0.0111441782585897 2.7935279216920010 -4.5581313880333809

Pt -3.0796133809362232 -4.3551693772604407 0.0392084361995398

Pt 1.3574277982675513 2.2625326642209531 0.0026679499818084

Pt -1.4101535031139745 2.2412664468156978 -0.0653899805294102

Pt 1.3472677677863489 -2.4175307612076748 -0.0098500878129143

Pt -1.4098727590544511 -2.3117669809170449 -0.0305254190826147

Pt -0.0646489121024982 4.6145892913816882 0.5104907846606989
Pt 2.2916260866057172 -0.0041486440339922 -1.4875271388372866

Pt 4.6124429680178602 -0.0444730543134596 2.7119028104301419

Pt -2.2945801684692526 -0.0301333825481605 -1.4269017194316049

Mo -0.0333510357019262 1.3060486601930679 2.3476129881442560

Mo 0.0282699120813421 1.3790731754460923 -2.3503987555916765

Mo 0.1051263273949845 -1.4602384951607688 2.2666136251813169

Mo 0.0234468635320726 -1.4360352611092848 -2.3512877664381691
Mo -2.2483227724495549 0.0008780207366756 1.3696920560075347

609
Mo 2.3034123911404407 0.0198395458997397 1.3243515720037731

Mo -0.1955937462483204 -4.6269078018258680 0.6000503106289256

Mo -4.6024385913211310 0.1085870533170778 -0.0294250689358718

Mo 4.5466318754887860 0.0995160322437102 -0.0222993883972364

Mo -0.1071660313862706 0.0723833583828907 -4.5361648945477597
Mo 0.4379658925783618 0.1045651429931071 4.5584360670961743

Mo 1.1547874919902912 -3.9673102809554761 2.2207135448284063

Mo -1.6383396723105645 -3.4874879050354251 2.3903523483029927

Mo 1.8441258698836551 -3.4044173842400793 -2.4898457879112996

Mo -1.7682991783751303 -3.4072709716822542 -2.6429760484118461

Mo 3.7663786820473746 -2.1548895138337398 -1.0764587943778210

Mo 3.6444400434144746 -2.2050396736830633 1.4164885250801784
Mo -3.5391788467983076 -2.3630392337301229 -1.6307530569178610

Mo -3.5900543182139018 -2.2544346047429995 1.5848889872662493

Mo 1.6884293492046398 3.4234673428898761 -2.4755056922365455

Mo 1.5142702299031898 3.4489312599423103 2.2999650732127135

Mo -1.6309745597703225 3.3710463701288349 -2.4688622648264342

Mo -1.6490772447966149 3.4622754170428296 2.3193067994565508

Mo -2.4413553227301321 1.5303005434924701 -3.5640936929327367
Mo 2.3964715520364877 1.5872814586456008 -3.6357149694907136

Mo -2.2005629734691610 -1.2590707310699001 -3.7588843687027307

Mo 2.3771273581436390 -1.5571971618679923 -3.6094199958981292

Mo -3.7208306835346008 2.1134062099689688 1.3708536665681332

Mo -3.8479568740159351 2.1170658085325416 -1.2123759282923103

Mo -1.9824066734582571 -1.1100065170008291 3.6389662250950279

Mo 2.1880879879815467 -1.4214881469588674 3.6695320117862549
Mo 2.4199061554039503 1.3706224994382383 3.5258198827246572

610
Mo -2.3745594361400180 1.6318234082601011 3.6215404775961231

Mo 3.6587982575135078 2.2261335116735212 -1.3432591604876407

Mo 3.7116382545623168 2.2888070100200055 1.3272115573009677

Pt20 Mo35 configuration: ∆E tot = 10.91 eV

Pt 1.6866225967077579 1.5516757269645203 1.0829508107432420

Pt 4.7475201857779519 1.1168140916145428 -2.3914452385422322

Pt 2.2187068512613246 1.2599324826775578 -1.5491080217791759

Pt 0.1953595534338569 -5.1646524575930641 2.5807643599810746

Pt -0.9040157431082095 1.6863082664244777 0.9096366213837259

Pt 3.4099488169402372 -1.5082152640703161 0.9078886779631719

Pt 0.2372784856129695 -0.5149995831424268 2.3395851205417273
Pt 0.1439376727894875 0.0714519800875873 -5.5545024614816469

Pt -0.3718719285488478 1.2642555572186487 -1.7063641376567344

Pt -3.8806699182212361 1.6489227741180363 0.2572693663717731

Pt -3.5397772577179785 -2.4045230968149984 2.7334182465186103

Pt -1.4491634744262203 4.3624632186235317 -3.3047327893948761

Pt 2.0012796452894515 1.6254545770562880 4.7159794865603715

Pt -4.7077940711354307 -0.2975254766579103 -1.6100179621295039
Pt -2.5882208944559784 -4.0208476199447603 -0.8350965572405469

Pt 2.1673269034168721 -3.2212720496487468 -0.9324500664545921

Pt -1.9170409181956731 -0.7889414011496858 4.5843769238451415

Pt 0.5662661068786375 4.0121365786867811 0.1453574623264731

Pt -0.3408467515855650 -2.6155973178230600 -4.4296227937821726

Pt 2.8864503523476452 4.6399174352874155 1.9014820576045965

Mo 0.9084832173533014 -0.8398232654849811 -0.2482478651279931
Mo -2.5076379257944046 -0.0541219273101920 2.0327792641867575

611
Mo -0.6055401285097647 -2.3799889053514680 -1.7897012134327921

Mo 1.7545717671746044 -2.0666991111377517 3.9754315691887854

Mo 0.6315459666314319 -0.5558104162191460 5.0814661216765558

Mo 0.4676867371861502 -4.4722242671550134 -2.3772610473506006

Mo 4.2350915330937307 1.1903009205686454 0.3630377495290846
Mo 1.3160985307138386 -3.0331625244977976 1.5304751767755795

Mo 0.9906288113088605 -0.6370485254039129 -3.1946272307042705

Mo -2.2748660675174994 -0.1396821652775633 -0.7016197294742736

Mo -1.2190714891918393 -2.3473546765995086 0.8681417485639147

Mo -0.8216383697390685 -2.8361616343598404 3.3392909293090582

Mo -0.8355344612762595 1.5857062686712022 3.6129243856902895

Mo -1.6594189793826846 -0.2944858254224845 -3.5689775043868508
Mo -4.2681213252660575 0.2585186699525646 3.8109529596478211

Mo -5.0873187110170397 -0.1874445991065135 1.7729008076331214

Mo 1.0092112720926931 3.6605078382901461 -2.4203775571125163

Mo -1.8807439557821428 3.3800211276672365 -0.9090137049686005

Mo -0.1055457960938272 -4.5944693491835409 -0.0330983371143387

Mo -2.1967336650538760 -4.4039532334074352 1.8406999587776769

Mo 3.2985403058441669 -1.0593600959926595 -1.8019476765810081
Mo -2.9878443230510134 2.3645785781210829 2.6272713404920132

Mo 3.9167003522906834 2.2139965435891464 2.4383427883079634

Mo 3.1656176433632846 3.3682289246144985 -0.2940296604195394

Mo 3.3062334595979870 3.4595819127346368 -2.8160320673486439

Mo 0.9116399745326867 3.2738007812610586 3.0091800513254561

Mo -0.2523042216289812 2.2015990355140782 -4.0941867648885335

Mo -1.0594007235965595 4.0542205666788504 2.2945786994741013
Mo -3.8263038705111887 -1.9521600137912150 0.1215708064142240

612
Mo 2.9061241513801370 0.0936224505274193 2.8337298977942829

Mo 2.3024959725007186 -2.6599978318296569 -3.6972216450018465

Mo 2.0800353039018171 1.5567063126465963 -4.1473249024506060

Mo 3.6095343293574125 -0.8255193493677244 -4.1841072470135856

Mo -2.9256014383790960 -1.9906122004025240 -2.7730634892007231
Mo -2.8579100895932532 1.9659315645493503 -2.3473057175883980

Pt20 Mo35 configuration: ∆E tot = 15.30 eV

Pt -1.3781461515076849 -0.2123811356789220 -2.3496388364061254

Pt -0.3891246899888679 1.1729386464387543 -4.6064524037259211

Pt -2.6983671711350250 -0.2924366570717582 -4.9911976390624311

Pt 0.9433025010749065 0.1410887759818875 1.5599293365060904
Pt 0.3734967638450619 1.1023395800131395 -0.7548241524232079

Pt 3.7811554294661183 0.3241777332551293 0.8295996945315388

Pt -2.6769543386881121 -3.4209892721648427 3.6959743027444922

Pt 4.4506629675906533 -0.8230537131465612 -3.5117528622591685

Pt -2.3986574034845698 1.7278002092795530 -0.6071038089524986

Pt 0.0399377779245433 -1.5643630025618593 -4.5145596056180004

Pt 0.2526263992255699 3.0213923436998900 1.5225219549260518
Pt -1.7503825420235792 0.5746086918488542 1.7182206018732589

Pt -1.4338622740418636 -0.7831518385174094 4.9070017908767092

Pt -0.9392420874942708 -1.3681424076077606 -0.0073315857931785

Pt 2.1371216683328060 0.1506040708467589 -4.5764054791287059

Pt 1.1196309453048161 -3.6506863567089138 3.1534042025786881

Pt 1.4416201663981461 -0.8910267581856148 4.3573528706979383

Pt 1.7511997578966390 2.7211559193493460 -3.6181243920008335
Pt 1.7239198381290712 -1.2617559861717469 -0.6919432699907698

613
Pt -4.9446655918199189 0.5552291017251916 3.7218993599726140

Mo -2.2871726407603243 -2.4097072534446338 -3.4915863766117319

Mo 2.4282926169338386 -3.7772886667296146 -1.3976839868181341

Mo -0.7315363348292216 -4.7392475173445776 -0.8581122467716366

Mo -3.0281966555413571 1.7182620969985463 -3.2505565526991056
Mo -4.3516826309938272 1.3104805571407665 1.3575919423105520

Mo 0.5886711885308038 -3.5017207464011730 0.6171642170326245

Mo -3.9673302481173276 -0.8547172105676966 -2.5790123831249154

Mo -3.3728222543816950 -1.2261284168518474 2.6829250172590244

Mo 5.0455165003737754 0.5525906366741138 -1.4319974914044420

Mo 2.5679818411181903 3.9922722925834679 1.3020601567524923

Mo -4.5489711590051121 3.2268292040759294 0.0555131560839218
Mo -2.6985968569752070 -3.1340094040259854 -1.2108689083236581

Mo -0.7082967610901456 3.4367447979240384 3.9524903162415974

Mo 4.9749421569014025 -2.1233184297212913 1.2012868114416366

Mo 2.6964777916435527 0.7662190142785219 -2.1092989176158277

Mo 4.1271488849734048 2.6733247917699177 -0.6008632418979939

Mo -0.5721303901400809 2.7119381817981920 -2.5019630057483333

Mo 3.8602557403544568 -0.2134793110063500 3.4536940375443841
Mo 3.5820532183300107 -3.8697929525105903 0.9359174379360845

Mo -3.5133945482384017 -0.8847469934478598 0.1498817223311598

Mo -2.6642025010323134 1.9010852964359257 3.8093258497195883

Mo 2.2027615851079179 -2.1958632733931833 -3.2086668174351836

Mo -4.7788514501673580 1.1535247556201993 -1.4970753257444582

Mo 4.4196982965959641 2.7552691456907641 1.8400200906424409

Mo -2.0574087536987160 -3.3606114402970886 1.2376378832635342
Mo 2.5027658447395953 -1.7885032138918833 2.0600404160754389

614
Mo -0.7152671577247738 -1.7781501057517319 2.6828503924137275

Mo 1.8252071436502848 3.2171802596269887 -1.0222083183963631

Mo -1.0624079126163573 4.0848477587187544 -0.6763477390378906

Mo -3.1423127670864726 3.7783269667898796 -2.0825006159382831

Mo -2.3847715843976185 3.1725955662598753 1.7812321971288874
Mo -0.2147798893164528 1.2017504477009906 3.7685574925149901

Mo -0.0830541307445921 -2.6732035824064835 -2.1292239738654892

Mo 4.1933583795240104 -1.9175650005179365 -1.0842669780085683

Mo 2.4627834730756990 1.5714638035999426 3.0074736634033892

Pt20 Mo35 configuration: ∆E tot = 16.96 eV

Pt 2.0556889565233627 1.5305704303288905 0.9963423252749605
Pt 0.4378476335662176 -0.5809787939906699 -2.6955830278942501

Pt -1.9313530706412001 -0.4714296353402886 -0.9973923463031072

Pt -0.8513134120166290 -2.5044229144863008 0.3836976588933906

Pt 3.5204008360531924 1.8502162219621539 -3.5079020293212779

Pt 3.8493123562573794 0.4271112256661496 -1.3120129867969357

Pt 0.1933924596757857 -4.4709196383824432 2.9215098132086239

Pt -0.8360240256926721 1.7963700169714911 0.9912127795736948
Pt 3.5024253783546544 -1.3752000222290122 0.6158577876567447

Pt 0.5888918176450995 -0.1192963794372901 2.7102216466291309

Pt 0.7432603318174467 -0.4353113821966616 -0.0730571891827113

Pt -2.0766213243098610 -0.4186390999582443 1.8244438665475624

Pt 1.2398968053011510 4.8504057655585600 -0.0509930133745430

Pt -1.0441810441541213 -2.8593166231149807 -2.4264540405063202

Pt -0.1619595451929774 -0.0434937977175906 -5.2950083237125849
Pt -0.2240547386613860 1.7893466424238198 -1.6030223558033672

615
Pt -3.5859340766919621 3.4431526669593895 0.1498245027753965

Pt -3.7178979870209394 -2.5521169068281777 3.1010368998091962

Pt -2.4304773626918097 4.4169476371386596 -2.4478138723394864

Pt 1.3675983150795721 2.0000758469489002 4.2383930482621768

Mo 1.6780651306962928 -2.2350004919597977 4.0385930296201256
Mo -0.2958101682128733 -0.7421374682459174 5.0745490501872386

Mo 0.6237320283695391 -4.7575743205117673 -2.0589972859327816

Mo -4.3833950815372793 -0.5026208757529560 -1.9610753017944436

Mo 4.8085337468928282 2.8135935430707919 -0.9770884712576221

Mo 1.4444405892380212 -2.4771769651591908 1.7058466819647944

Mo -1.9957572747074783 -4.6942879087042142 -0.4232816961520373

Mo -1.0754607409429360 -2.1658363959104205 3.4620203417617943
Mo -1.2613920156671048 1.6079981157306207 3.7260722333750578

Mo 1.6120869906256070 -2.6537267027801219 -1.2334500459198157

Mo -2.1219572361829284 0.0907607764346892 -3.5538381367722764

Mo -4.5998694408256915 -0.0404827292276508 2.5537816356226215

Mo -4.1147393679962994 0.6302408233755130 0.1325472971497076

Mo 0.6259538395030484 3.8848468335230395 -2.9780672068393756

Mo -1.0615693031243785 3.9314289109868499 -0.4225876110413994
Mo 0.5134213394270626 -4.8067797288831029 0.2410990779485699

Mo -2.2588696215831652 -4.3179913479679213 1.7283212678696824

Mo 4.0516427739595979 -2.2907996158274413 -1.8456588023600975

Mo -3.3164879466783708 1.9416308057492102 2.3248276780541004

Mo -2.7292191378056776 -0.1012775698631742 4.3891798576597640

Mo 4.6825238136090030 1.1059724214380224 1.0899457498050051

Mo 3.5853898510701430 3.6468098006460936 0.7601522425219199
Mo 2.2964841760283372 2.8078831928623034 -1.3320788214161385

616
Mo 0.6859492149418391 3.5122144440007732 2.2100995363397629

Mo -1.4468613436682807 2.3497395992185490 -3.9038455709131541

Mo -1.4355187668055640 4.1581249870848866 2.1376422156278863

Mo 1.1571123922018041 -2.5754202124369696 -4.2018049595293601

Mo -3.5261554602461933 -2.2072632981200284 0.3768116349280971
Mo 3.1124994072625976 -0.3294409807991087 2.9883444525310039

Mo 2.8624591159676323 -3.7772696129773946 -3.4452876664475753

Mo 1.0740524126258686 1.7422897938172042 -3.9140316980090319

Mo 3.7413455878501867 2.0128031970977078 2.9925957811571577

Mo 2.9602897523092304 -0.9579031915994307 -3.4196888623605788

Mo -3.5773746731152505 -2.7637903041966636 -1.8831258818623187

Mo -2.9544428866794794 1.8873712156106677 -1.9018228889125826

Pt20 Mo35 configuration: ∆E tot = 19.54 eV

Pt 0.1101491292503380 -2.9431812178851589 4.5850032077539824

Pt 0.0086255984671252 -2.7706173059450427 -4.6745948396328059

Pt 2.9129198901608753 4.4881459440665585 -0.0544924941014410

Pt -2.7492124333210053 4.6000738075864396 -0.0715586956752331

Pt 2.6535190546497076 -4.5677154024761562 0.0792057075773259
Pt 4.3920251340035232 0.0275118428653596 -3.0522438044569120

Pt -4.5071426122906981 -0.0176857914494084 2.8205924630629160

Pt -0.0036242033744508 -0.0957514263370722 0.1467828190260135

Pt -0.1872561310216879 1.5072461469792842 2.3901017293967128

Pt -0.0126450512953623 1.3339794546665225 -2.1632678039257534

Pt 0.2028712741546065 -1.3030604691093468 2.4735351541116102

Pt -0.1438692422565301 -1.4534815092700391 -2.2373188752522686
Pt 1.5305363138368220 2.1384952289807391 0.1719408396379912

617
Pt -1.4157706545520639 2.2173387015062951 0.0540999457912540

Pt 1.2236949927132459 -2.3761479387869739 0.0070292760831497

Pt -1.7437196862330135 -2.3340919089619874 0.0188724118635689

Pt 2.5367831150373128 0.6656407487407572 2.4457425198081046

Pt 2.3198620782174211 -0.1019484383055906 -1.2679700331912238
Pt -2.3189825542907601 -0.0522804179256333 1.4597920739100994

Pt -2.5135563783287531 -0.1173427318696926 -1.4185281060776462

Mo -4.1599767616173384 0.3760583105817137 -3.3832191703019086

Mo -0.6146454445777995 3.0048988086615678 4.4757947346945963

Mo 0.2028436142579461 3.0424229162688823 -4.1660015655067166

Mo -2.4518478985176202 -4.8270387984538754 -0.2375992632756955

Mo 4.9436914887654098 -0.2691488606761653 2.1072046836375846
Mo 0.1143774451562146 4.3821696920695059 -0.2300544344523338

Mo -0.2192636722917239 -4.6797635666758737 0.1922364315059009

Mo -4.6685398951621266 0.5984767812679288 0.0816203575425692

Mo 4.7842894769613356 0.2468241813682140 -0.2467212262057120

Mo 0.1512944523587378 -0.0235846318347729 -4.4742333487096868

Mo -0.1663598494741590 0.1702130518946171 4.6867307346089264

Mo 1.4823547538935111 -3.6563918524175865 2.3436402291157536
Mo -1.1567179003374144 -3.6925916474307954 2.2518873236293175

Mo 1.4802061721635020 -3.6314749238141921 -2.3446104732593898

Mo -1.5776814656410822 -3.7880339387324646 -2.2576148447046767

Mo 3.4042667506847635 -2.5239348053727841 -1.6632801770827512

Mo 3.5251202720952928 -1.8980687199831818 1.3364995520920833

Mo -3.5117605741146343 -2.5530088511927556 -2.1531592640929502

Mo -3.4314864084593837 -2.4270617479200505 2.1341627129150482
Mo 1.4862023251788323 3.6262707315226828 -2.2329444329758545

618
Mo 1.1510024098817662 3.8320609100457999 2.2291024647536770

Mo -1.3691849877761055 3.6345892946174070 -2.1844699498526539

Mo -1.0735821211963890 4.0658168020392154 2.0969415178400017

Mo -2.2154929271470301 1.4583861657989892 -3.7324146523912849

Mo 2.0273060085688051 1.1981753442321219 -3.8255924377427406
Mo -2.3697430843339395 -1.3910873082978030 -3.7853480875376655

Mo 2.1616139130346648 -1.5687555799034514 -3.5432170199320630

Mo -3.7875881064647658 2.2685040969078396 1.2641990938027732

Mo -3.6905149362863319 2.2431032824374793 -1.3716798241946091

Mo -2.1379610666387290 -1.5920405712881824 3.7622132016758112

Mo 2.5981122122273077 -1.8496486104905099 3.4628331340376302

Mo 1.4322411645273703 1.9936999677578773 4.4504764746261714
Mo -2.2878632651925326 1.0166573556107288 4.0455959992607937

Mo 3.5772450648790359 2.2210426295786676 -1.6326213228177846

Mo 4.0728352070679588 2.1471367747533572 0.8309193535883957

Pt20 Mo35 configuration: ∆E tot = 24.38 eV

Pt 0.0665877389897160 4.6612455755715798 0.0249247333108348

Pt -1.3242361827027282 3.5953255864695230 -2.2891104932393538
Pt 1.4477369266345390 3.6688249721441153 -2.3361095561368237

Pt -2.6802149786811018 4.5023897556583234 0.0269138434580109

Pt 0.0832882459515440 2.5814950410625053 -4.5053159687041013

Pt -2.3320578166108650 1.3176440857861185 -3.7363667754639684

Pt -3.7448748569984449 2.3541703693746783 -1.3866426829617546

Pt -0.0346844297611513 -0.1302501211789366 -0.0376740352706458

Pt 0.0394686747545078 1.2485258335797862 2.2530839636865445
Pt 0.0710372363599782 1.2050782450994648 -2.3023409884859425

619
Pt 0.0697904729150507 -1.5488454027051450 2.1955582930587050

Pt 0.0032300819648378 -1.7221358242643892 -2.3166234378259296

Pt 1.3396236436728002 2.2552921473547749 0.0163469326730089

Pt -1.4244695369089813 2.1486174031704266 -0.0271655674641006

Pt 1.4124900602752684 -2.4370934186073234 -0.0476598752439424
Pt -1.4941200431176556 -2.4699379543126034 -0.1239615017827215

Pt 2.4683991064203408 -0.0096152819966352 1.3505453396713085

Pt 2.3605599892864628 -0.0876671597361895 -1.3793027247952006

Pt -2.3787715461998946 -0.2123755620878331 1.6818859710885994

Pt -2.3000045650195009 -0.1247780218684557 -1.4514567963550797

Mo -0.1553618672969835 -2.8919909857949526 4.5172753074144882

Mo -0.2020002731910695 -2.4038671085896701 -4.8402713928294840
Mo 2.8123253287285959 4.3542513575322159 0.2387154280241594

Mo 3.2130658691577674 -4.3141025827622075 0.3443049808396897

Mo 4.3444223143153859 0.2118224928604587 -3.0590849554697477

Mo -4.6519617863374894 0.1621299906705172 -2.4875974499525646

Mo -0.0113033959931757 2.5943208572249241 4.5107531797765379

Mo -4.6535344585876945 0.6796663659813239 2.4242749863772652

Mo -3.1839663074732503 -4.4152972561860127 0.3572709465462173
Mo 4.2084270735710927 0.0464593748134850 3.3437108509264060

Mo -0.0328818214473275 -4.6668526314692302 0.6393786086245464

Mo -4.6824908696245817 0.0280632935157191 -0.2571996386909684

Mo 4.6049834897225477 0.7719005114185270 -0.1711283016974415

Mo 0.0753122925052365 -0.1806318207476113 -4.6196329655608164

Mo 0.3348949974748274 -0.1478720344348591 4.4512385276290960

Mo 1.4451107752712089 -3.8582463732628489 2.2266543070041629
Mo -1.5121637094612994 -3.7625192711055937 2.2126046052096151

620
Mo 2.0576434576476794 -3.4546572634461135 -2.5134908138959182

Mo -2.1194021843398847 -3.4220190816131484 -2.6268683106967692

Mo 3.7279200174254665 -2.3978128962275682 -1.4520887188275446

Mo 3.7544357600276665 -2.4262977127682510 1.3867845523366589

Mo -3.8514405589098377 -2.2580280335421370 -1.3598213940123480
Mo -3.8446294232804181 -2.4857373793935458 1.2388178601062896

Mo -1.3926982690220429 3.5676227268934539 2.1596741281949883

Mo 1.1436146862422929 3.6125596775145183 2.2912049859517460

Mo -3.7541992965550950 2.3289131505638565 1.3648771292377353

Mo 2.5206291900497089 1.4372909164110086 -3.5702645427595363

Mo -2.2997098955829305 -1.4582606915161922 -3.7748822856545039

Mo 2.2441752451873409 -1.3415656083165335 -3.7469269557897227
Mo -1.8075495227947529 -1.5208470478177152 4.0382321800997349

Mo 2.4087060283251898 -1.4336010217023489 3.6343981383534678

Mo 2.4304959813972626 1.4309147335321273 3.6871988715319852

Mo -2.1106597591257188 1.8815102361324920 3.6870101633293708

Mo 3.6760305838378340 2.4394961400347954 -1.3654354481818893

Mo 3.6149820869117288 2.4973747070833285 1.4807847632876678

Pt28 Mo27 configuration: ∆E tot = 0.00 eV

Pt -4.3099418603063686 0.0346612414828711 -1.5753788023089137

Pt -2.2877514831189729 -4.3786316953020350 -0.5244010299641398

Pt 1.9546312258233347 -2.9318718753053732 -0.8446247273795403

Pt -4.7598389007902080 -0.2276120055708190 1.0961139056949709

Pt -3.1175162236011595 -2.1499295912910585 2.6694848305947931

Pt 0.8666491249184266 4.7099121723415696 -2.7622532735611554
Pt 4.2053129875308430 1.3381591249460001 -2.6465174388288677

621
Pt -2.0526594016219657 4.0457027489464270 -1.3766194834182315

Pt 0.7358941183217874 -4.9953606875206358 2.7832298265334621

Pt 3.2204499122193488 -0.8367725555565535 0.4083207624253306

Pt 3.0021222853826255 -1.0031636632489027 -2.3476810820240988

Pt -3.7285172801958129 2.4848609561661785 2.3031745600500320
Pt 2.1181022197645416 -3.1222382287408936 4.2913119508560849

Pt -1.7239041238655972 -0.3912339645285145 4.4191580110914854

Pt 4.7470241366306718 0.8709503052761347 2.5403892192662796

Pt 3.2037761330951509 3.8166524864752680 1.1065415812312951

Pt 3.2269813206301694 3.7970877597245192 -1.5683703381471612

Pt 1.2771297699067108 1.5403869326144282 4.2997786061320946

Pt 0.8566051438338563 3.5492613601766623 2.5052881759685586
Pt -0.3322201963375365 1.5408161453004461 -4.6752332413417514

Pt -1.5563385462451704 4.0789506041071633 1.2803994860639663

Pt -1.1806354485531878 -3.3850370573565498 -4.3196074954365464

Pt 0.8660841644444851 -0.9612604210563216 5.1868206637326493

Pt -0.0507618589916253 -1.1931292777707565 -5.2750902604540268

Pt 2.2903804394020963 0.2098886641972517 -4.7026477775308377

Pt -3.3818641605568902 -2.8621141370220617 -2.5554701911312585
Pt 0.2808709332802980 -4.8733598368848163 -2.2266625050940951

Pt -2.6647281700089871 1.7246200825916373 -2.9351316790138502

Mo 4.2706023938964845 1.7136007905073729 0.0850352478806190

Mo 1.6511443532010277 -2.6368723522604833 1.8228927887570936

Mo 2.2379655666319631 1.3385535361200831 1.6784501109148302

Mo -0.4334592212868499 -2.6963773910235900 3.4834950448953643

Mo 0.4797733451138367 -0.2396199751103891 -2.8893430076473323
Mo -1.2681088628779869 2.0932552435548737 3.1523968537552758

622
Mo -1.7699305269900381 -0.0450103920669671 -1.0068485589643230

Mo -1.9815086984492722 -0.8435892465753749 -3.4858046043863076

Mo -1.0287446507149045 -2.3390099696279822 0.9587313499065740

Mo -4.0192014087649230 0.2896885700985670 3.5341005666816310

Mo -1.2005054315159194 3.7969345772164305 -3.8041957607101322
Mo 0.2275010639467597 -4.4510373502876650 0.3582835654017499

Mo 2.0793120530452982 1.3999070557358846 -1.0661146136382396

Mo -1.8266854884695276 -4.4020502623174478 2.0564077993383991

Mo -0.3533448121530302 1.8305534447963541 0.7611925926015543

Mo 0.3023150647660625 -0.3762400463905182 2.6942560761023899

Mo 0.6065254745313063 -0.6102305533046541 -0.1170576241944393

Mo -2.2340696172058379 0.2279627765506332 1.7850469375820675
Mo 0.8256793733427646 3.8917881791705899 -0.2136653016933874

Mo -0.7777128505095262 -2.5274818400540431 -1.8710518282096724

Mo -3.3760652288463109 -1.9435932568977523 -0.1651104129879247

Mo 2.7622117404545667 -0.7124884263497542 3.2117043858490413

Mo 1.2022231262173824 -2.6523279315456216 -3.3909692171424153

Mo 1.8837062790674453 2.3919373308716305 -3.3935073853668323

Mo -0.2355571556038175 2.2648732966688758 -2.0100584786601479
Mo 3.3211066404703038 2.8121461670634611 3.4220235551344320

Mo -3.0505087822881216 1.9945324382662164 -0.1446123352063920

Pt28 Mo27 configuration: ∆E tot = 0.57 eV

Pt -0.1295968473430203 4.6529436069195427 -0.0011191575907070

Pt 0.0328824052276481 -4.6448282972489210 0.0120331157725677

Pt -0.0038500318908504 -0.0525195206131866 -4.5551567009319998
Pt 1.3968148625541579 -3.7882374171710973 2.2709665604964382

623
Pt 0.2255238228887856 2.8501030035705734 -4.4895924478897919

Pt 2.6743514704104792 4.5881120649272660 -0.0162012558901261

Pt -2.7960729211496269 -4.5812941584254414 0.0324197511269724

Pt 4.5450269838259034 0.0317647669912856 2.7107990994468039

Pt 4.5521928056820231 0.0127896357217751 -2.7033725000474869
Pt -4.5775687646051120 0.1255308733937942 0.0203853202606770

Pt 0.0304495566273554 -0.0652740396899543 4.5389796564576779

Pt 1.3712739359580348 -3.8026842951432744 -2.2665157737132740

Pt 3.6849169590581838 -2.3021396822859552 -1.3508299664953425

Pt 3.6726379359077255 -2.2848666139538487 1.3773568931055409

Pt -3.7423134383897008 -2.2625562759369009 -1.4186749954310325

Pt -3.7541206937548188 -2.2556276759377956 1.3707427283642737
Pt -1.4943872782273437 3.7131997162252941 -2.2742417664185122

Pt -1.4454006767195000 3.7486164355920519 2.2667774238021829

Pt -2.2859549568657114 -1.4722635033336535 -3.6841173220660841

Pt 2.2868917011865966 -1.4425096513589903 -3.6669929147497919

Pt -3.6736559966195497 2.2950534977580386 1.4157758049633797

Pt -3.6902289564643547 2.3156273351519894 -1.3588990257433360

Pt -2.3479355383500304 -1.4901038720852873 3.6337693155609694
Pt 2.2583944844970230 -1.4332525205664106 3.6738933339232265

Pt -2.2315869421942236 1.3983047264425015 3.6765042127481053

Pt 3.5877818746797727 2.3940942660372695 -1.5849793794579985

Pt 3.6202804743080965 2.3658602310736270 1.5406956695307801

Pt 0.2503081133815812 2.8604283789098290 4.4933529301443755

Mo -0.0310109176296388 -0.0428209412269084 0.0020881446200747

Mo 0.1003102982431031 1.4991812888836562 2.3626341552854946
Mo 0.0925870671089425 1.4702553936720195 -2.3230344820844242

624
Mo 0.0067936956819003 -1.4153126853473459 2.2621463122834333

Mo 0.0232968758746587 -1.4230618580660928 -2.2780137074412239

Mo 1.4553210454319603 2.3268684987830386 -0.0010289475313103

Mo -1.3412806496089222 2.3109667290317817 0.0089483159145494

Mo 1.3557620117692646 -2.3251429824241807 -0.0062672449044956
Mo -1.4773828581527282 -2.4174515497084932 -0.0194359047196135

Mo 2.3322086409770142 -0.0179826514446234 1.4260260820069162

Mo 2.3403518191639572 -0.0176120362975874 -1.4342757792647740

Mo -2.2916171986134466 -0.0005930813466727 1.4127667431296547

Mo -2.2745515238669216 -0.0407993915961267 -1.3733228322214051

Mo -4.2556858329717482 0.1234437764196331 -2.8714259974030103

Mo -0.1082020522529444 -2.8727456176784001 4.2579062026879901
Mo -0.0926912991443386 -2.8681721898766024 -4.2710517452686654

Mo -2.7557888964107349 4.3693744393278262 0.0156020164943312

Mo 2.7065825352030428 -4.3745005533396935 0.0052144782074293

Mo -4.3345966106781821 -0.0014149791543610 2.7313697598674973

Mo -1.3386591111363677 -3.6224229399837471 -2.2780448934970012

Mo 4.4367816879740589 0.0775112495220770 0.0043696269851812

Mo -1.3321934487514653 -3.6227638715174013 2.2880701105974972
Mo -2.2944582430781746 1.3243222197592173 -3.5477506586463816

Mo 2.2481512382480680 1.3343847338154478 -3.6442219237892419

Mo 1.2473779083748602 3.7054551972793357 -2.1517195127550774

Mo 1.2949270417918555 3.6996239198250724 2.1336168079234619

Mo 2.2706124328333979 1.3471388677250073 3.6250762642446230

Pt28 Mo27 configuration: ∆E tot = 4.17 eV

Pt 2.3151304188427746 1.4770498914816830 -3.5838232404563795

625
Pt -4.4253993877448874 -0.0000000000000060 -2.7340421823100538

Pt -0.0492892677853236 2.6991436423406738 -4.4926654046973429

Pt -0.0492892677853236 -2.6991436423406814 -4.4926654046973429

Pt 2.9402230655426722 4.4773629238824419 0.1088863158695753

Pt -2.8559352497704200 4.3977268155960516 -0.0375747205036795
Pt -2.8559352497704200 -4.3977268155962106 -0.0375747205036795

Pt -4.4994224664534892 -0.0000000000000060 2.7395289113349173

Pt -0.0274834333010034 4.6227339373189231 -0.0310904872790520

Pt -0.0274834333010034 -4.6227339373187792 -0.0310904872790520

Pt -4.6200609224265889 -0.0000000000000060 -0.0181880614434430

Pt 0.0846873805081399 -0.0000000000000060 -4.5535435540329603

Pt -1.3092288498816438 -3.7328249722751110 2.2214753792810766
Pt 1.4132898328810297 -3.7468720499858574 -2.2992937297796066

Pt -1.5283181156197077 -3.7266539907247349 -2.3615976620331458

Pt -3.7812629929049484 -2.2633670385694620 -1.4256372968124307

Pt -3.6917683252090221 -2.3005306161277455 1.4817479388631623

Pt 1.4132898328810297 3.7468720499858401 -2.2992937297796066

Pt -1.5283181156197077 3.7266539907247127 -2.3615976620331458

Pt -1.3092288498816438 3.7328249722751061 2.2214753792810766
Pt -2.3175510245888624 1.3793658755632967 -3.7441455798577801

Pt -2.3175510245888624 -1.3793658755633087 -3.7441455798577801

Pt 2.3151304188427746 -1.4770498914818562 -3.5838232404563795

Pt -3.6917683252090221 2.3005306161277281 1.4817479388631623

Pt -3.7812629929049484 2.2633670385694495 -1.4256372968124307

Pt -2.2121456211215982 -1.3774189565619082 3.7239091390302508

Pt -2.2121456211215982 1.3774189565619086 3.7239091390302508
Pt 2.9402230655426722 -4.4773629238826107 0.1088863158695753

626
Mo 0.0583522844404367 -0.0000000000000060 0.0357883418350822

Mo -0.0664764237447257 1.4345401826157811 2.2078177753082930

Mo -0.1163541169154407 1.4997156165878038 -2.3049459777617831

Mo -0.0664764237447257 -1.4345401826156416 2.2078177753082930

Mo -0.1163541169154407 -1.4997156165875081 -2.3049459777617831
Mo 1.3752663600855444 2.4383555403519090 -0.0733407967960348

Mo -1.4710943639509644 2.3087040430654899 -0.1142037404632669

Mo 1.3752663600855444 -2.4383555403519188 -0.0733407967960348

Mo -1.4710943639509644 -2.3087040430654975 -0.1142037404632669

Mo 2.2246232551254899 -0.0000000000000060 1.4224254130513097

Mo 2.1895385158834575 -0.0000000000000060 -1.4134392775916802

Mo -2.4281664954718680 -0.0000000000000060 1.3805393855968719
Mo -2.2025496505203357 -0.0000000000000060 -1.3508855070068848

Mo 0.2959223948278336 2.5614784125390404 4.3636344644321987

Mo 0.2959223948278336 -2.5614784125388939 4.3636344644321987

Mo 4.6208300062803049 -0.0000000000000060 2.9111638094066148

Mo 4.4795677894642001 -0.0000000000000060 -2.3884528208808695

Mo 4.5192684381105419 -0.0000000000000060 0.3103915997928948

Mo 0.0572500274861308 -0.0000000000000060 4.5169795084620290
Mo 1.4055281264441495 -3.6254735543545076 2.1888158937583611

Mo 3.6241353517653847 -2.1859052575313704 -1.3349797452407692

Mo 3.6123870648496608 -2.2088061506715801 1.4442561519332324

Mo 2.4157657822138505 -1.3596415484030266 3.6336225400982074

Mo 2.4157657822138505 1.3596415484030147 3.6336225400982074

Mo 3.6241353517653847 2.1859052575313678 -1.3349797452407692

Mo 3.6123870648496608 2.2088061506715677 1.4442561519332324
Mo 1.4055281264441495 3.6254735543544951 2.1888158937583611

627
 Pt28 Mo27 configuration: ∆E tot = 5.73 eV
Pt 0.1350688739103604 -0.4271463165824867 -1.3816790648525590

Pt 1.3874456100486485 2.0773424091198627 -0.1070783488729284

Pt -1.2008654348133734 1.6758526089972134 -0.4673088381713733
Pt 1.3478570980936739 -3.3518885775087806 0.8843520897315084

Pt -1.0530189196568716 -2.2239048025364023 0.1889704943676531

Pt 1.7467884051537554 -0.5569543677619391 0.7553192575861408

Pt -1.9979134955356772 0.0266855290351158 1.6268746777812322

Pt -4.4878987229741441 1.0631419767698800 -2.2774919145646177

Pt -0.7430713840479870 3.4310631222800749 3.5073786549387509

Pt -0.6486057758156181 -3.0521848599931825 4.6898401300496921
Pt 1.2112686763337044 -3.6339847934940859 -3.3971584365601299

Pt -2.5092441303090784 5.1156423747366313 0.3594719354340452

Pt 3.7642300606218599 -4.1476683200501503 -0.5235055374874770

Pt 5.0313006473306405 -0.3807242134258855 2.2210455578959918

Pt 3.6525365722363476 -2.4106767313791475 -3.5600227744357054

Pt -5.1058475347685928 -1.6185650231283188 -1.2698922888335993

Pt -4.4402737283378499 0.5950591652784356 0.6276397069857903
Pt -0.9159104419029875 -4.9271963121115538 -2.2022383820995484

Pt 5.0547337235208616 1.0949294165049919 -0.2825893519779009

Pt -0.8733486571351181 -0.1474073800219100 -4.2030495121497715

Pt 2.7251795841327366 2.2328894468273672 -3.6440668182084832

Pt 1.8491286035493812 3.3689791371136528 2.5802101203349852

Pt 1.6237236668513495 1.7190685039769400 4.7906702863982122

Pt 0.2016044964365184 5.8466964094821874 -0.3899851276809408
Pt -0.5613216784872821 3.7663744006752991 -4.1324554516758916

628
Pt 0.0410021748456204 -4.9965451859222787 2.5380338992668792

Pt -3.6093627812206184 -4.7394268538634412 0.8438234367686032

Pt -1.9235546825630012 1.0834832750442400 4.0760385295617159

Mo -2.1408116422612342 1.9390479976546358 -3.0182394232937892

Mo 0.0943462926430263 -0.4290627806610201 4.6239085837922023
Mo -2.0482303330034672 -3.5178853951340794 2.4812343524063780

Mo -2.4857934458482664 -1.5115992745499012 3.6308003576332371

Mo 2.7806270105663815 0.3631276559147620 -1.7323528900933205

Mo -2.7225691937254273 -0.4210258859589613 -1.0798334335639872

Mo 1.3901721639290985 4.0225849206992974 -1.9683838246234124

Mo -1.0416458362018732 -4.6945545019699244 0.2384203797391972

Mo 2.4762967245482268 4.5004172235069797 0.2485622343332671
Mo 2.1716861086069104 -2.2428863515634627 -1.4107686127591670

Mo 4.6007057655133750 -1.3195855969882400 -1.2478547673841369

Mo 3.8493194473491048 -2.0644340935204109 0.7964543757026955

Mo -2.9986783324277231 -3.2887547893178843 -1.3832722768031225

Mo -3.5734263943447719 -2.0103731647826701 0.8484484773887583

Mo -1.4288947848702878 3.9869519022340212 -1.7157000782402001

Mo -0.3735172391220306 3.7986386528194869 1.0385432322220289
Mo -3.0620566254605639 -1.4868565173854973 -3.2200082272125710

Mo 0.3540912417402255 1.0729003673204387 2.5784009390737199

Mo 0.3960229327454998 1.7713393742853425 -2.6766060416232560

Mo 0.0025728071475201 -1.6456110567083539 2.5427069359105881

Mo -0.9259420535482195 -2.4041714863246066 -2.5742904881842148

Mo 1.5938379665817921 -0.8742086485297660 -3.5603165496962217

Mo -2.5985249191847619 2.6475144403723410 1.6648277679703973
Mo -3.4874389850630299 2.8748283909752770 -0.6064415062907608

629
Mo 2.6194159654213438 -0.0776481736199696 3.2874002587658149

Mo 3.5880266368953970 3.1074822626051839 -1.2260754869803030

Mo 3.2687778958764868 1.4208904905646547 1.5892887822798976

Pt28 Mo27 configuration: ∆E tot = 6.54 eV

Pt -0.2013798990970510 0.0836275025619082 0.0314249757144574

Pt 1.2407848191500030 2.2773306518066199 -0.0592434145024431

Pt -1.5791443021385208 2.2915855657888762 -0.1247720799365901

Pt 1.2929054075790676 -2.0867187374275900 -0.0453985802456326

Pt -1.4762833092445113 -2.2153352550824361 0.1059904084315758

Pt 2.1500301533971284 0.2639074234229639 1.5012468558377596

Pt -2.5636003614789145 0.0676922775603092 1.3998808615275518
Pt -4.4829337789080004 0.2616987161915702 -3.0118168163566299

Pt -0.0714869740805237 2.8686783098899697 4.4596908651480280

Pt -0.0791934223715970 -2.6990598713946921 4.6210314834071609

Pt -0.1869465472271920 -2.8429896152295520 -4.4232129836483267

Pt -2.7873586645191382 4.5568330203672769 0.0269470007607402

Pt 2.6746823256436958 -4.3900745734323570 -0.0495617082145722

Pt 4.5095994700773172 -0.1907929122076990 2.8004816618654007
Pt 4.4248038306291271 -0.0901347409819320 -2.7814647517224982

Pt -4.3664748092856893 -1.3263449057694230 -0.6574197592029526

Pt -4.4825324728572946 -0.1924727173098904 3.2483318567566575

Pt -1.1927184517968006 -4.7377616008532550 -2.4012658745032991

Pt 4.5325292282435266 -0.1337327541243661 0.0215320025646908

Pt -0.0304643274123363 0.0349193639174863 -4.6600703420869971

Pt 2.2742654244204092 1.3660834617053312 -3.7504747655552659
Pt 1.6187848756018219 3.3880114448227459 2.4204642780011651

630
Pt 2.2560194095460022 1.2575403712668642 4.0624261991523465

Pt 0.0092286659534793 4.7556682308211986 -0.2249717621033664

Pt 0.0377239685601281 3.1135761980766508 -4.4255607501826724

Pt 1.2547453510070423 -3.7186109831779355 2.2937618789505376

Pt -2.5900199849603238 -4.6332967768082245 0.2148348326260863
Pt -2.2785080167939173 1.2173584982176424 4.2783608114282332

Mo -2.1804582810087827 1.7144989264416159 -3.7349930215024645

Mo 0.1322512243813468 -0.0462234097985402 4.4838741882034681

Mo -1.5223695263109454 -3.5460877367124488 2.4984826797653166

Mo -2.3589729895872797 -1.4795426216652097 3.7160925092110153

Mo 2.1521993220219402 0.0202829046013335 -1.4181211943884129

Mo -2.3541618950145708 0.1322818778852301 -1.5134498117947068
Mo 1.6223642224646477 3.6998882617772444 -2.2011661669455695

Mo -0.0342016482198250 -4.3496173396903171 -0.1176541013348761

Mo 2.6948661600458217 4.4277628431941380 0.0566192593183142

Mo 1.2077873368156333 -3.5623217433997416 -2.2515324383986179

Mo 3.5272094858503120 -2.1601184947603902 -1.4398582391840529

Mo 3.3758834183938640 -2.1399661073300087 1.4944130213399689

Mo -2.7556114865215600 -2.7452313704674598 -2.0363034556603075
Mo -3.5447830424025328 -2.4048273483720140 1.8079535750331532

Mo -1.4539143877966860 3.8019098686620802 -2.2850759662258691

Mo -1.0917879906941188 3.9714132383673828 2.2212924600882471

Mo -2.3339503039867089 -1.2149687096827810 -3.7263098240906563

Mo -0.3296570350940781 1.4324145003418109 2.3715317347378817

Mo 0.0183960354984650 1.4799552445369770 -2.4224191294026216

Mo -0.0175407353452705 -1.3156495287548797 2.3590734328850682
Mo -0.1562099920695565 -1.2838773998739630 -2.3545608209318076

631
Mo 2.1822155373069787 -1.6009493659919409 -3.5074601734486524

Mo -2.8465782702625577 2.6545490216641383 2.1668935747970162

Mo -3.4930023344750785 2.5630467904578449 -1.9460532294190396

Mo 2.3131874819678981 -1.3933055213760668 3.5629372939238668

Mo 3.5636161709780567 2.2691124256346247 -1.5054211684886181
Mo 3.7761659154276477 2.5283852016932777 0.8500426280018093

Pt28 Mo27 configuration: ∆E tot = 8.16 eV

Pt -0.2013798990970510 0.0836275025619082 0.0314249757144574

Pt 1.2407848191500030 2.2773306518066199 -0.0592434145024431

Pt -1.5791443021385208 2.2915855657888762 -0.1247720799365901

Pt 1.2929054075790676 -2.0867187374275900 -0.0453985802456326
Pt -1.4762833092445113 -2.2153352550824361 0.1059904084315758

Pt 2.1500301533971284 0.2639074234229639 1.5012468558377596

Pt -2.5636003614789145 0.0676922775603092 1.3998808615275518

Pt -4.4829337789080004 0.2616987161915702 -3.0118168163566299

Pt -0.0714869740805237 2.8686783098899697 4.4596908651480280

Pt -0.0791934223715970 -2.6990598713946921 4.6210314834071609

Pt -0.1869465472271920 -2.8429896152295520 -4.4232129836483267
Pt -2.7873586645191382 4.5568330203672769 0.0269470007607402

Pt 2.6746823256436958 -4.3900745734323570 -0.0495617082145722

Pt 4.5095994700773172 -0.1907929122076990 2.8004816618654007

Pt 4.4248038306291271 -0.0901347409819320 -2.7814647517224982

Pt -4.3664748092856893 -1.3263449057694230 -0.6574197592029526

Pt -4.4825324728572946 -0.1924727173098904 3.2483318567566575

Pt -1.1927184517968006 -4.7377616008532550 -2.4012658745032991
Pt 4.5325292282435266 -0.1337327541243661 0.0215320025646908

632
Pt -0.0304643274123363 0.0349193639174863 -4.6600703420869971

Pt 2.2742654244204092 1.3660834617053312 -3.7504747655552659

Pt 1.6187848756018219 3.3880114448227459 2.4204642780011651

Pt 2.2560194095460022 1.2575403712668642 4.0624261991523465

Pt 0.0092286659534793 4.7556682308211986 -0.2249717621033664
Pt 0.0377239685601281 3.1135761980766508 -4.4255607501826724

Pt 1.2547453510070423 -3.7186109831779355 2.2937618789505376

Pt -2.5900199849603238 -4.6332967768082245 0.2148348326260863

Pt -2.2785080167939173 1.2173584982176424 4.2783608114282332

Mo -2.1804582810087827 1.7144989264416159 -3.7349930215024645

Mo 0.1322512243813468 -0.0462234097985402 4.4838741882034681

Mo -1.5223695263109454 -3.5460877367124488 2.4984826797653166
Mo -2.3589729895872797 -1.4795426216652097 3.7160925092110153

Mo 2.1521993220219402 0.0202829046013335 -1.4181211943884129

Mo -2.3541618950145708 0.1322818778852301 -1.5134498117947068

Mo 1.6223642224646477 3.6998882617772444 -2.2011661669455695

Mo -0.0342016482198250 -4.3496173396903171 -0.1176541013348761

Mo 2.6948661600458217 4.4277628431941380 0.0566192593183142

Mo 1.2077873368156333 -3.5623217433997416 -2.2515324383986179
Mo 3.5272094858503120 -2.1601184947603902 -1.4398582391840529

Mo 3.3758834183938640 -2.1399661073300087 1.4944130213399689

Mo -2.7556114865215600 -2.7452313704674598 -2.0363034556603075

Mo -3.5447830424025328 -2.4048273483720140 1.8079535750331532

Mo -1.4539143877966860 3.8019098686620802 -2.2850759662258691

Mo -1.0917879906941188 3.9714132383673828 2.2212924600882471

Mo -2.3339503039867089 -1.2149687096827810 -3.7263098240906563
Mo -0.3296570350940781 1.4324145003418109 2.3715317347378817

633
Mo 0.0183960354984650 1.4799552445369770 -2.4224191294026216

Mo -0.0175407353452705 -1.3156495287548797 2.3590734328850682

Mo -0.1562099920695565 -1.2838773998739630 -2.3545608209318076

Mo 2.1822155373069787 -1.6009493659919409 -3.5074601734486524

Mo -2.8465782702625577 2.6545490216641383 2.1668935747970162
Mo -3.4930023344750785 2.5630467904578449 -1.9460532294190396

Mo 2.3131874819678981 -1.3933055213760668 3.5629372939238668

Mo 3.5636161709780567 2.2691124256346247 -1.5054211684886181

Mo 3.7761659154276477 2.5283852016932777 0.8500426280018093

Pt28 Mo27 configuration: ∆E tot = 13.20 eV

Pt 4.5809845451720497 0.7906760900839580 -0.0845940039963436
Pt 2.5719436229731669 -3.2112949930987256 2.1222356908963182

Pt 2.5534724713308661 2.1071998706930444 1.3747704714645095

Pt -1.4227742037419748 -2.8158228183693099 4.3005121225512397

Pt 0.3405822064393754 -1.4434428023173098 -2.2749952293515117

Pt -1.5412057534037928 2.4728056667677283 4.6707069147069538

Pt -2.2002692789005440 -0.5146388031252338 -1.1349091645001841

Pt -2.7458406263064674 -1.0325080930682640 -4.5782821869686456
Pt -1.0245185445326737 -2.9153558346616553 -0.2523709239765675

Pt -3.9760792565442156 0.5418465550266505 3.7006895974264902

Pt -3.5098429801039206 3.3811599355820556 -2.6449529033069119

Pt 0.7962034072479363 -4.7650954845651237 0.7309198108787018

Pt 2.0148313509669631 0.8314956586133408 -1.2874653528660414

Pt -2.1739017786415156 -3.9591291344929287 1.9601688972313833

Pt -0.1625365158174707 1.6233796538806480 0.3597053688802374
Pt 3.9731142872157266 -1.9946859398715502 -0.5850360714310805

634
Pt 0.8028131702978030 0.2692889942086361 2.6723629033196730

Pt 0.8527222215585111 -0.9867121538257495 0.2965751421205657

Pt -1.4668931758082175 -0.6208691542716400 1.4700101249798574

Pt 1.1827238927641783 4.0733304637161245 0.0228461439190843

Pt -1.8872177471482554 -2.9682562053802766 -2.8792427134041669
Pt -3.6911055921652922 -2.4911202374631163 0.0668404695398814

Pt 3.3835678912089762 -1.3251952425535765 3.9825667403309524

Pt 2.8780259969294781 -1.9672796130074650 -3.2134059951544605

Pt 1.2996229259945686 2.6563481941033995 -5.0456322174659443

Pt -0.4888549772793706 1.0887209113809719 -2.4010917282115480

Pt 1.4512556709941884 3.1969280398548587 5.0608520036404157

Pt -3.4214004557976034 2.4946603280023663 0.0451794316796261
Mo -4.6628189633851900 0.6479903353195977 -1.5510834379988583

Mo -0.4938969836787854 -4.9088559858266088 -1.8013572010060139

Mo 1.7763602408174219 -3.1422111988125829 -0.8686525784514256

Mo -3.9019309319563487 -0.0037898266148309 1.0449394760617987

Mo -3.4500177005724093 -1.8013812066448482 2.6313736197868463

Mo 1.0077961534679352 3.2308324542301055 -2.4429220053775564

Mo 4.2653478097358688 0.1098316105543595 -2.5300033195788836
Mo -1.2584188021750524 3.3882383704284562 -1.3117899007707328

Mo 0.1144835012109738 -2.7001165945337808 2.2312176491154170

Mo 3.0969448749034392 -0.7451606739888532 1.4833446187558588

Mo -2.1342526052995145 1.8358701031304754 2.2735825755850745

Mo 0.8588257229077119 -1.4824573231871925 4.5983202710509223

Mo -1.4482254686964646 -0.2075383298430123 4.1493619019023251

Mo 4.5252933594317124 0.9329600504151805 2.6588249601303429
Mo 3.4614286403114658 2.9327693805273043 -1.0299216765973807

635
Mo 3.4862327449680315 2.1898113232742151 -3.2794625659026244

Mo 2.7979620626062252 1.2753703968771901 4.0153982925156200

Mo 0.2879875842479749 2.9185373940301291 2.6880253971578436

Mo -0.9978396009029673 3.3519377377867707 -3.7433871253364757

Mo -1.2781262780302356 3.9768172067609067 1.3763303327717793
Mo -0.1736318971524646 -1.5455749458538752 -4.8165008568978225

Mo 0.4181876586449947 0.7385564824069781 5.3072706802612597

Mo -0.5405792133023475 0.6386310994042064 -5.0663664329866362

Mo 1.5966829313729967 0.2785222592411680 -3.8828162260113173

Mo -4.2331166862919112 -1.4766365479844257 -2.3151305588426383

Mo 0.8764556824753296 -3.9270692636028803 -3.1219985080134971

Mo -2.9665566105608661 0.9776818406639882 -3.1515607242557087

Pt28 Mo27 configuration: ∆E tot = 15.68 eV

Pt -0.3762864090165156 0.2710492232296192 -0.3408537536550452

Pt 0.2156882866964192 1.0834967329027820 2.1665275199781977

Pt 1.8483063420644752 0.4014436824639718 -1.8231031944486116

Pt -0.2765885547688786 -1.5303366178953353 1.8661836646174041

Pt -0.4614790186508774 -1.4574017577572305 -2.2687943519262372
Pt 1.0303032069145102 2.5822970011109536 0.0059595011153791

Pt -1.8066585903533936 2.5726881547773761 -0.2665759065594867

Pt 1.3782461179927166 -1.9387463971954075 -0.2912694064841387

Pt -3.2778634281663419 -2.0228077921107168 -0.7923447612263798

Pt 2.4604278082527453 0.2888591009615540 0.8161282120123959

Pt 4.0592907190833500 -1.1077056932267537 -1.0831853252645427

Pt -2.5832212719136867 -0.1214658729604762 1.0860570012221391
Pt -2.5672769552384413 0.5366366884128356 -1.8620101564483971

636
Pt -4.4513210461874024 1.5399364960192743 -3.5856942848744833

Pt -0.3909286701808984 3.0076672425649864 4.6953931891092910

Pt 1.7881825220493821 -2.9136676927712752 4.4603605085800186

Pt -0.0151835776769506 -2.8134847620569357 -4.4813355549310696

Pt -3.3280991006412681 4.4481672090708679 0.8051626890992994
Pt 1.2749590089608061 -5.2144577342474951 0.1224178521919529

Pt -3.0504677863298757 -1.6649787915762373 4.2105609331611991

Pt -1.9448370950007929 -3.8193508482922223 -2.4484040097561941

Pt 4.8215774238377689 1.5315534350013935 -0.0861065709213219

Pt -0.9959396748330112 -4.1348764283105686 2.7563801823833334

Pt -1.8698914817384493 0.8829475816879099 -4.5231509089792663

Pt 3.0198019798186517 -0.2397115943527749 -4.8979539785003592
Pt 1.0919160449428793 4.2335487051194258 -2.2976966725903960

Pt 1.0257579246875677 3.9726193745467615 2.5155002967462319

Pt 2.2112308686121214 1.9500878556223371 4.0729681457696563

Mo -0.4383277506551341 4.7959712586521386 0.2717831297135610

Mo -0.8582331664111114 -3.5855883620718370 0.1269985215136219

Mo 0.4753022243415895 0.0419621760847180 -4.1479085939525415

Mo 1.6601286214722533 -3.4271942296184985 1.9541409025181569
Mo 2.0612422308877587 2.1167471872028845 -3.7791283623365839

Mo 1.6766826743304362 5.1438410876138869 0.2922306278950294

Mo -2.9154861569560926 -4.4552784312941389 -0.0041375295095404

Mo 4.1778449187243920 0.7331679546410416 2.7730696861271955

Mo 4.2278189062584346 0.8965138202011874 -2.7556826775440637

Mo -4.7644034577895695 0.5267282186865375 -0.2304484051658077

Mo 0.1148634359897183 0.4025524941519565 4.7670598532863471
Mo 0.7792629811906262 -3.8368007137884401 -2.2093613271508499

637
Mo 3.0313197321354717 -3.6854915958077807 -1.3374450374198883

Mo 3.4161420210707401 -2.1275923118431361 1.4993909713883007

Mo -4.5890071756556239 -0.8173744862074327 -2.7760640446165521

Mo -2.7531984923235631 -2.5534974832661614 1.7511771466072681

Mo -0.1667650766083430 1.8737473467997121 -2.5063560997778520
Mo -1.5679370694279131 3.0269126532457395 2.4490045117273898

Mo -2.6442015326895079 -1.4606138892240550 -3.6598310620143248

Mo 2.3347922473714409 -2.0169397488922325 -2.9067789647930962

Mo -3.6368212951788768 2.0955593878465439 1.7912706307129078

Mo -4.3111334314281891 2.4648983202366939 -1.1048787159008011

Mo -0.5255030790584390 -1.7666534370434788 4.3341601960213527

Mo 2.0793831043071687 -0.6466278600402032 3.2774175281292695
Mo -2.0467296518783233 0.6915629399564923 3.5341224930444706

Mo 3.1374592551881189 2.7175538287600407 -1.6496158214677532

Mo 3.2158593895759271 2.5279273742792103 1.7146895835442084

Pt28 Mo27 configuration: ∆E tot = 21.07 eV

Pt 1.6444692758398003 -4.6439051667885769 -0.8553942675779866

Pt 0.6859652455673636 -0.9364639770587841 1.9308432936375992
Pt 0.7782794802229410 0.3237529343415362 -1.7472433889961765

Pt 2.4810112112563081 0.2495516985485240 0.3179812192972006

Pt 1.0248677086636981 -3.7375222930146119 1.6993704285394584

Pt 4.7743649172176461 0.7337624221147452 -0.9055302124809204

Pt 2.2315134145700943 3.6995024530877427 1.0945110900029613

Pt 4.2834889910296070 -0.2331706230616872 -3.2688248956120791

Pt -2.0136689560858878 1.1168808770565251 -0.4891815021600026
Pt 4.6668309310704714 -0.9306576187649738 1.2646451518799238

638
Pt 3.0141672222265674 1.9774604008524876 -2.5922831408733007

Pt 4.2070296933016138 3.2716423971526982 -0.6466354349420216

Pt 0.3549489989578013 1.7785975652532302 0.5701012794979816

Pt 4.0629672090613198 0.2693185397390694 3.5633899417016801

Pt 3.6026350388639008 -3.3671331606651673 0.7898003470313677
Pt 2.0831347655825749 -1.6878765030334988 -3.1896862860555704

Pt 2.0307618662563311 0.5255602284535230 -4.6878177382181807

Pt 4.1707545268533792 1.8208748492347782 1.5201914076151637

Pt 2.9066725566986298 -2.0540764254295052 3.0184070443243680

Pt 1.8390200851248193 4.2084182074272372 -1.5357822778866479

Pt 1.5989067687730949 -0.2410414220028285 4.5850080585606543

Pt 1.1786348347929085 3.1502219202983586 -4.0683349070881949
Pt 4.2159962097719514 -1.8667671767883063 -1.2491126605325549

Pt 1.6499581957441400 -2.0533238523174528 -0.5314942221851966

Pt 2.3707136071270623 2.4050836224801717 3.4683699843130622

Pt -1.6167531311097398 -0.6636544286942494 -2.5028089589081564

Pt -1.9313146492753723 -0.1661295885342666 2.0105994580725701

Pt -1.1138473372254587 -1.7673406038233337 -0.0639556153825199

Mo -0.2003331408093140 2.7082943372185131 -1.9530421531355360
Mo -0.0405271736929728 -1.3974165390671571 -4.5002708749663132

Mo -2.1909610373952342 -2.4442913556704067 -4.4082953804815705

Mo -0.8428665684217770 -4.3926591376431707 -0.0697972401077978

Mo -0.3476073690137661 1.0962303902848107 -4.1120235620923697

Mo -2.7467973946230950 1.7905438674819523 -2.9514340453158301

Mo -2.6563198870714126 -0.1212101665778304 -4.8262875752976360

Mo -4.1635166634410936 0.9958038731190813 1.4044098377292242
Mo -4.2295361791351027 -0.7149388600528879 -2.8555337380994334

639
Mo -2.7575759476115786 -2.4598990445612596 4.4847349254202751

Mo -4.0505272593794004 -1.8676125119826621 2.2300798982801577

Mo -4.3609074516470727 3.2284122046189712 0.4617901345555195

Mo -2.6504667014871552 -3.0879195875362822 -1.8408522991201239

Mo 0.1325307308681892 3.7748393194325107 2.5828442623053203
Mo -3.6592479875541182 -0.9145590546052402 -0.4331706629711023

Mo -1.1620308110178648 -0.7407884902362751 4.4478073493456742

Mo -2.1498799338278980 1.9549741411916217 3.9028675629932561

Mo -4.5472153135112663 1.4837956572704145 -1.3742781076735129

Mo -3.0206744506900316 -3.7672825922841380 0.4813449319405320

Mo -1.3886786118114791 -2.7452364084051535 2.4365906570251123

Mo 0.5733412750142356 -2.5774985148514187 4.0072734855110408
Mo -0.2351996150966124 4.3155533617400232 0.0803431987913596

Mo -2.5116791299420891 3.7063250670027603 -1.1036264737975843

Mo -1.9998527367011654 2.8013327247354542 1.5736818087136639

Mo 0.0720025770952112 1.3811808921592588 3.2465659427215368

Mo -0.1360571271135108 -3.0023088674295533 -2.1883167324128383

Mo -3.9109247728601639 -0.1852299814153098 3.7774616545644983

Pt28 Mo27 configuration: ∆E tot = 23.83 eV

Pt -0.0444803477719866 4.6783864885307320 -0.0401999390930045

Pt 0.0917849714725163 -0.2003713802078846 -0.0298065673832317

Pt -0.0476823948035736 1.3914392021444091 -2.2319799245690231

Pt 0.7981872133825860 -1.9723451884175194 -2.4909771181473785

Pt 1.4401611608782492 2.2277071459371438 0.0383590740518592

Pt 1.3786617561227144 -2.5016570665892446 0.2226542556479587
Pt 2.3667167160145532 -0.1227043876330007 1.5074181836982072

640
Pt 2.2336321835378685 0.1856260726680532 -1.5389218268192475

Pt 0.0643967482791703 1.2835534484421207 2.3175169158420204

Pt 0.2060256907192770 -1.5864069807632257 2.4775048281675915

Pt -1.3025171590686575 2.1474589610043586 0.0385933550866740

Pt -1.3754122106930022 -2.3447067846106746 -0.1218881698178644
Pt -2.1165655897128657 -0.1587845286085756 1.4582470904409099

Pt -2.1431043505713872 -0.0883731418477194 -1.4019839599298769

Pt -4.4485047862610791 0.0297543841778445 -2.7224625252762666

Pt -2.7515670651024022 4.3687275571681319 -0.0033637041460767

Pt -2.8336837168081379 -4.5464586765098316 0.0224418062361591

Pt -4.3359915853943871 0.0116066842364937 2.7920787397311462

Pt -4.4726174795963676 -0.0195930840952328 0.0418931086989097
Pt -3.8103306996031243 -2.3800673960749950 -1.5046475851041112

Pt -3.8262917001527859 -2.3393638079075565 1.4546428908670668

Pt -1.3410847950208165 3.8067336891305610 -2.3756979604248412

Pt -1.3846608880338545 3.6772954102007214 2.2635613770649221

Pt -2.2758366230951443 1.3680475702354673 -3.8349096631887969

Pt -3.6422971645372382 2.2421745122560739 1.4037742942157769

Pt -3.5837326917428385 2.2720859574512504 -1.4788414082407964
Pt -2.1942245933306492 1.3700036291966322 3.8620796163426383

Pt 1.4734735639289473 3.6996476891892951 2.3259146137425675

Mo 0.0215130230638334 2.6885319566779660 -4.4533683087419655

Mo -0.5530335726583766 -2.5089956084262370 -4.6348685637159752

Mo 2.7277602865479036 -4.7156069224922348 0.1042562402445877

Mo 4.5854776564047688 0.6123264933195409 2.7356095743818352

Mo 4.6034028001321809 -0.2437175982846090 -2.5711567211895829
Mo 4.4965120295980929 0.0915287305999557 -0.1605605603864846

641
Mo 0.1136409243695670 0.0628570005819722 -4.4852332221179489

Mo 0.7787324500438531 -4.2479676404671940 2.1379514891412454

Mo 1.4862122010767418 -4.4569597842507420 -1.7038061433053939

Mo 3.4796423670028678 -2.2322083516122038 -1.5411219845362765

Mo 3.9868282993060058 -2.1431017825354237 0.7228458239995668
Mo 1.2614470556758575 3.8451688194001399 -2.0788990946755068

Mo 2.8056369234285548 4.4466130798324599 -0.3871474578227238

Mo 2.1838095623417431 1.9666032689683333 -3.6194132311510985

Mo 2.3378961577737072 -0.5853453141201574 -4.0846294372351366

Mo 2.1875118606704480 -0.8328095712680839 4.2007073887751343

Mo 2.3792173662980951 1.4185713392874570 3.7405786013842586

Mo 3.6952176654969442 2.5559065795806690 -1.3812818763556804
Mo 3.7621133712962882 2.2440886429739959 1.4523337975335511

Mo -0.1487954328325387 2.8778401655560044 4.2166539068114739

Mo -0.4527517244794169 -2.5712743523230270 4.7915924246009256

Mo -0.1862763023098218 -4.7471480256877019 0.0587173423191639

Mo -0.0065713792751299 -0.1000711273516875 4.6656875827382134

Mo -1.6022238029473248 -3.5666241659880078 2.2300725760592166

Mo -1.4969459427243412 -3.3636330165923765 -2.5097069226102571
Mo -2.3611925054635652 -1.3887727802945202 -3.5996710005898294

Mo -2.2072355008725264 -1.6052160137881184 3.7028579787507971

Pt35 Mo20 configuration: ∆E tot = 0.00 eV

Pt 1.8680797528639235 -2.4857009932868466 3.8625398065535048

Pt 0.7989717579707646 -0.2272312441769685 5.2137414600579657

Pt 0.3792071636282829 -4.7920682601220133 -2.5754229403499895
Pt -4.4048931202847372 0.0819773265581404 -1.9338105852517149

642
Pt 4.7775679695377162 1.0183334815188174 0.5353481491475430

Pt 1.7190082662044435 -2.5515763087958647 1.1504826578585827

Pt -1.8856519550200201 -4.2826013190729721 -1.1355942954498861

Pt -0.9328100967045826 -2.1814026431663280 3.7369024143774308

Pt -0.4088230755777259 1.8519117674821444 3.5434079725181871
Pt 1.6704209205517233 -2.7673205728937291 -1.5272798388993554

Pt -1.9848400592457378 -0.1976403319288152 -3.5175353335149229

Pt -4.1302724597121143 -0.2581775562127773 3.6328458820689828

Pt -4.2291997028472510 -0.2342395571307974 0.8409603662355688

Pt 0.6651057098798704 3.7711233241710089 -2.9481091770068364

Pt -2.3011815333126266 4.2865276076528236 -0.7810639015994189

Pt 0.4118488378838266 -4.7052247832827359 0.1444844407719383
Pt -2.2046946742643714 -4.7599608489178049 2.1894748947647056

Pt 3.0099834388726547 -0.7466267732980952 -0.4939639796121842

Pt -3.1545079748180429 2.0339588141726153 2.0128129840356532

Pt -1.8500932300215109 0.0259841466477952 4.8571036852393430

Pt 5.0236173118327256 0.9401910950464526 3.3469091505334685

Pt 2.7381401149762921 3.9082935127679490 0.0244170021233340

Pt 3.3242532678365846 3.5383355200212576 -2.5117403272784546
Pt 1.2029812347227735 3.5313518232465468 2.2353195151898060

Pt -0.7674856408005978 2.0590690162012293 -4.6000866789551740

Pt -1.4360230930694766 4.0822326370613897 1.7413108093524894

Pt -1.4166997885045558 -2.4457341334113551 -5.0578107596041892

Pt -3.6745416793635686 -2.7307854929815734 0.0178835932500813

Pt 3.4783340835166596 -0.6307394197607920 4.9327397932643944

Pt 1.2467738230128904 -2.6526414733434991 -4.2457066362618239
Pt 1.9092170726284254 1.5047906527482637 -4.1162763656402124

643
Pt 3.8814195972320986 3.0636124531006401 2.3511885426975336

Pt 3.2693340769341459 -0.8819111063040225 -3.2865644978848767

Pt -3.3125566581222445 -2.4108936980620315 -2.6210676039377407

Pt -3.3427650802284008 2.1602563504316179 -3.2633126974959143

Mo 2.3231989352790547 1.4344211939789004 1.1167703325968059
Mo 0.8490521536181065 -0.4329933059617218 -2.6532141505159732

Mo -2.1151227683569518 -0.6243638301553091 -0.8006781762001883

Mo -1.1746913685506226 -2.6686123798827226 0.9116585503572504

Mo 3.9072863801247619 1.1717755915031289 -2.0000414928974752

Mo 1.5465987843146993 1.7546839791363964 -1.3661885702231391

Mo 0.2128970864087906 -4.1356593130266130 2.5817049836002948

Mo -0.5831027387186906 1.6989655280974829 0.8773474149851600
Mo 3.3221655193492863 -0.6289618555421640 2.2251499272154742

Mo 0.8013230221048561 -0.4322806632302501 2.6476634748141028

Mo 0.2956809432808741 -0.5426417637091759 -0.0731567250378565

Mo -1.9262193974983970 -0.2483896927205705 2.1910756528155471

Mo 0.2098879598192868 3.8035755920595959 -0.2992536224735095

Mo -0.7883972167948029 -2.5135860397946233 -2.6200718778720731

Mo 0.1088292119021931 -0.3447294878638217 -4.9572694824297887
Mo -1.0675367503150963 1.9002100787125982 -1.9367433727442123

Mo -3.1289509538298121 1.8321956360187186 -0.5494428035703810

Mo -3.2438523473603000 -2.3590124045078995 2.4871438253261200

Mo -1.8088836586555286 4.0983696319991996 -3.2152516577047070

Mo 2.3226126256900583 1.3215604922091813 3.6782702686607163

Pt35 Mo20 configuration: ∆E tot = 0.82 eV

Pt -0.0292472598447915 -2.6874197619398132 -4.3823531943131169

644
Pt 2.6243713974608593 4.7180138309194763 -0.1659342089814853

Pt 2.6528858890696725 -4.3765911836255347 0.0177472481881384

Pt 4.4919459230355860 -0.1092114169805791 -2.8050597844421485

Pt -4.5116270355816157 0.0705299145950651 -2.8229601626223122

Pt -0.0975927605838433 2.7207592972846850 4.5407980337766327
Pt -4.3758264380573708 -0.0498735891899049 2.6968043870151721

Pt -2.7385563247290952 -4.5065404255553787 0.0181088957789083

Pt 4.4994623526263355 -0.0826717914056893 2.8066503692373264

Pt -0.0163041492836526 -4.5971088493771850 0.0155526771370217

Pt -4.6243537776348109 0.0253754337542962 -0.0384052222187584

Pt 4.6160916263844207 -0.0330860728038806 0.0273233476453442

Pt -0.0851647607536081 0.1013800275266748 -4.5090251216664763
Pt 0.0410639804518496 -0.0072667443276266 4.5916042407340720

Pt 1.3994107610540640 -3.6828545176640279 2.2600722351900044

Pt -1.4134141063421299 -3.7143542840900063 2.2855577604446404

Pt 1.3774192951308863 -3.7736452542431591 -2.3037136368039128

Pt -1.4582761966540068 -3.7321027099677808 -2.3047724975095223

Pt 3.7119255143251007 -2.3345720855353500 -1.4284970566401911

Pt 3.6912158982219809 -2.3015917591605373 1.4076467935978492
Pt -3.7198851031077593 -2.2956039835442676 -1.4419046501499475

Pt -3.7334132324354417 -2.3450096281239685 1.4139272767787252

Pt -1.3924556191480415 3.7452286023487682 2.1909667633639880

Pt 1.3626105674853168 3.7842769268027361 2.2589170764093529

Pt -3.6835337708648312 2.2356131609693604 1.3579662364490364

Pt 2.2877926566198803 1.4354135289979815 -3.6544945239611621

Pt -2.3065653481531574 -1.2992064593855890 -3.7591065810235298
Pt 2.2442487278156595 -1.3871922463196484 -3.6790602226139733

645
Pt -2.3044166734581730 -1.4518642379218747 3.7398885820328545

Pt 2.3139166586244082 -1.4351221855946141 3.6899546925263476

Pt 2.3165102577481953 1.4152658855805993 3.7075915189017832

Pt -2.2811341187251317 1.4001748054696543 3.6530905549903352

Pt 3.7130174029410528 2.3080032472039442 -1.4203648387912222
Pt 3.7155298806110553 2.3073748964812868 1.4280980977421989

Pt 0.0239221044142588 -2.7218137212713773 4.3338279693257684

Mo -1.3905735732288613 3.6343970312303218 -2.2598423776694432

Mo 1.4418297544616341 3.6183622650571192 -2.2734722353240535

Mo -2.8601344173052592 4.2997787571763615 -0.2277845734500886

Mo 0.0293032790274270 2.9080787168769739 -4.2806799779482905

Mo -2.2882406766644117 1.4527171936584944 -3.5234364037594359
Mo -3.6845157754373306 2.2396674929618174 -1.3577003553253790

Mo 0.0208930779243233 0.1429910640686732 -0.0447390003866535

Mo 0.0606769251804047 1.4797767491072222 2.4167391912111906

Mo 0.0492723230696168 1.3656169024890379 -2.2435048540837643

Mo -0.0297124800559694 -1.3190184258860769 2.1981836613524912

Mo -0.0024841053063156 -1.5011906486799509 -2.1248558034077449

Mo 1.5441688120193187 2.4058088206792245 0.0576315623142075
Mo -1.3881105292386937 2.2449686440758891 0.0603333313106020

Mo 1.3273452394559200 -2.1558270856004738 -0.0735357174583891

Mo -1.4793711650709838 -2.3750620011518095 -0.0069654775856963

Mo 2.4133579906914266 0.0221766646504751 1.4803090942329868

Mo 2.4541767613331520 -0.0319342414357828 -1.4064447002670633

Mo -2.1365757642331547 -0.1812014724720905 1.3959483868230975

Mo -2.3960984877604710 -0.0550628682224601 -1.4349679491021401
Mo 0.0032185924751036 4.4622497915103034 -0.0776588570041719

646
 Pt35 Mo20 configuration: ∆E tot = 1.95 eV
Pt 0.5842112070701517 -0.0414525498240068 -2.3832680415027814

Pt 1.1489068974527583 -2.2270414502125164 3.6649115935880059

Pt 0.6409135084644049 1.7684647544614136 -0.3432452879155866
Pt -0.6383088480683370 -4.1258860838685569 2.5035010630760053

Pt -0.9227035271826083 -2.2253110496775919 -3.4828216789921602

Pt 2.9004523546990670 4.1336512528074785 -0.7753026658448269

Pt -3.9299719406316056 2.8075793921555543 0.0416755570828039

Pt 1.5892515776962142 -0.8067587128227331 -0.0210268471507581

Pt -0.8076190800532885 -1.9695433961677993 0.1401740907397238

Pt 3.2646439190663843 1.9022402208716414 0.6438963238452159
Pt 4.2746880254038162 1.0811665809729158 -1.7301272267421772

Pt -0.4083957446740697 0.2336123229576202 1.6813038056591616

Pt -1.6940354321290727 0.3530342151961690 -0.7093913606144687

Pt -3.5719876065401364 -1.6533691390119345 -3.0162569535575945

Pt -0.6061843488274719 4.3065819834903971 2.7546370215748550

Pt -0.0473442288712135 2.2996424397503374 -3.8950914474457297

Pt 2.2296305787212676 -5.1128975797071154 -0.7360509254271298
Pt -4.4474581850133630 -4.0683351874356282 -1.0230140936871315

Pt 4.9349407983045639 -0.2542332329501903 2.9964422817151797

Pt -3.0000117853726662 0.0328773736627795 3.9579849667568863

Pt -1.8328860127668662 4.9086640423042036 -0.3892780664692387

Pt -0.3793320546026877 -5.0759328213687445 -0.1763987031180895

Pt -5.1416411454520157 0.1899712021883853 -0.0586661076949830

Pt 0.1169057740940474 -0.0866917583360362 -5.1567704249155337
Pt -0.5668866211654120 -0.6515010544972086 5.0646700591493561

647
Pt 3.7641870989684039 -2.8898586816180853 -0.3857467947947205

Pt 3.4390729367226074 -2.5805423869934772 2.2883979851895657

Pt -3.8198281620238843 -1.8217226627397651 2.0944704151237441

Pt 0.6166232661189042 4.4138218795278981 -2.3778998721811537

Pt 2.2030535906901436 4.6945886769185075 2.0554638287230813
Pt -2.8913881637940930 2.4880230538707564 -4.1381776603159404

Pt 2.7954647896423070 0.5712304478932106 -4.1459278072085874

Pt 3.1917559260582893 -3.6193331863398499 -3.0211854488835077

Pt 1.5336625277467106 1.0564247986474071 4.6898751660039926

Pt -2.9593177768484109 2.7508690409494192 3.1473554831835924

Mo -1.3503401185914499 -1.7257591076183645 2.9054511799370384

Mo 1.5879581481064491 -1.8904653192636034 -3.9937735344549243
Mo 0.5315456887026613 4.3027080651999023 0.2047309825365951

Mo -1.5218950360835237 2.6721431795754937 0.9579681538815302

Mo 3.0827577181844221 -1.1352027251758643 -2.1888376844653625

Mo 4.1145038133901979 -0.4921672418217668 0.6405457482580103

Mo 1.3405359456499439 -3.3557754711798595 1.0016262369553499

Mo -2.5874530089479491 -3.8340923068053798 0.7157799382245612

Mo 1.0302254061027269 -2.9771213490209818 -1.6265067248644491
Mo -2.0085780122241799 -3.6033197626217288 -1.6366490236319684

Mo -3.3410466654109312 -1.6586283710705119 -0.4854140530488215

Mo -1.5822505153538515 2.7606600191590154 -1.7919449650185804

Mo 1.1465014603892854 2.4294262556227380 2.3070476285851593

Mo -1.9063086449110813 0.2199014911926525 -3.3558502155752667

Mo -3.2797454499785657 0.7366888077996889 1.5306872761326287

Mo -3.7313897149637283 1.2724842346161238 -2.0545056468265632
Mo -0.7973439478865629 1.5950815608710740 3.8277925748534511

648
Mo 2.2517463540924014 -0.2399871924779461 2.4630046714233385

Mo 2.0305207820279891 2.2697321476906125 -2.3166014536990009

Mo 3.4269916848029114 1.8716603402738570 3.1363366838482061

Pt35 Mo20 configuration: ∆E tot = 2.89 eV

Pt 1.5462437654499817 -2.7625924138197107 1.5562033817740606

Pt 1.4801374784141903 -2.8552433937796664 -1.1497939834154713

Pt 3.2406994430696132 -0.6211972940859097 1.3011499638382340

Pt -2.7135933076188250 -0.0537273231185578 -3.7092408733449891

Pt -4.5250779607114451 0.0806968702244246 1.2766900678106261

Pt -0.9656349035771566 1.3186171413268044 -5.0864917301787438

Pt -3.4615978472953968 -2.3319518683461169 0.2231305698574926
Pt 0.5300370759926639 -0.8161539001194383 -5.2494725154035331

Pt -4.1092189793773626 0.0335180320823793 -1.3643674476346284

Pt 4.2141253358586228 1.5194663249634983 -0.0723884338792906

Pt -2.0814841304945757 -4.3644326987753388 -1.1047392631256165

Pt 0.8835131131941526 3.6852787120708923 -2.5914472057811158

Pt -1.4759745941491669 3.6000470464388412 -3.9180330479455070

Pt 3.8328361200089036 1.5150906250530747 -2.8139700305349966
Pt -1.4851188779548063 3.6745146807152720 -1.0761574225865409

Pt 0.2370965801521809 -4.9926945874395656 0.3346428561035205

Pt 0.2379122148729326 -4.7811362549788683 2.9964620587891249

Pt -2.2668295932466149 -4.3570301306843717 1.7604419668079807

Pt 3.1858168219662106 -0.7102380626072103 -1.3344446324185320

Pt 1.3025592897614993 -2.4864599213730045 4.3612049620903184

Pt 4.3300558835430367 1.5232549271318829 2.6567612583580522
Pt 3.5316371779934124 3.8582040205927610 1.2774107706243207

649
Pt 3.3093924627490710 3.7495976583004689 -1.3894883658503339

Pt 1.1321295601150418 3.9838114944339749 2.8292161450416908

Pt 0.9393870067635933 3.8987242715324113 0.1236204113617199

Pt -1.6746444751466096 -2.1261253595532068 -4.8791207437739610

Pt 3.1685403853172405 -0.5370645247717006 3.9530909418760625
Pt 1.4843567602720757 -3.0234995570669199 -3.9191012295985321

Pt 1.5361919620879523 1.5244927915382058 -4.1576579910487164

Pt 3.6434400802820286 3.7902434713943576 3.9515655045058553

Pt 3.0669366839151850 -0.7134880561494653 -4.1172251725368563

Pt -3.4347250051062472 2.2338400057254240 0.0856629499734177

Pt -3.3354387711446547 -2.4038502272244600 -2.5207862200258195

Pt 0.3398422129953051 -4.9803762386199892 -2.3409676975930656
Pt -3.2424976789532876 2.2244137282424887 -2.5520012529770857

Mo -0.3873611001064486 1.8545749476048412 3.1586639020330312

Mo -0.8122447263515536 -2.6821031699874069 0.3712039125421918

Mo -3.3982451948530494 -2.1773203266127368 2.8960209434195074

Mo 1.7911122908281905 1.6384570877325404 -1.2338883390341884

Mo -0.7092640401417637 1.6268640640585472 0.5162601494518591

Mo 0.8113849994506072 -0.4622868409837720 2.6516458093767783
Mo 0.7526975576361629 -0.4833624035892042 -0.1008096384852244

Mo -2.0024232999915652 -0.3461789548319628 1.5664143689585939

Mo 2.0475357658127225 1.7750447206358737 4.1254967597571994

Mo -0.7972768289807303 -2.7739923122292467 -2.7317683023386583

Mo 0.7060047221484328 0.1084459445480474 5.1421581003989463

Mo -0.6858085177966470 1.5338209891033143 -2.4995075774164310

Mo -0.9116146111216804 -2.5336032744596437 3.0325662476324662
Mo -4.0829510481193294 -0.1742950386668481 3.8721501841450201

650
Mo -2.9185461062924416 1.9181798023570857 2.5234621634450529

Mo -1.7219236227938548 -0.2774737192206585 4.2183352814667376

Mo -1.3851786693365422 3.7165474389849846 1.6722045053714578

Mo 2.0123988912847013 1.8211745492523006 1.4981795941040486

Mo 0.9245379884822401 -0.6688281082670285 -2.7194728649524298
Mo -1.6338857397561977 -0.7102153846826907 -1.2996737490350874

Pt35 Mo20 configuration: ∆E tot = 4.76 eV

Pt 1.4935283858292310 -3.7287178120639628 -1.0478333959292709

Pt -2.6117639679157580 1.4232704063930566 -2.9102684040386104

Pt -0.6570272104429187 1.7114870085787393 -4.7636267471976277

Pt -2.2945933580529609 -0.3795245418473661 -4.9920155869625127
Pt -5.9041055679126657 0.1953438190751824 2.4203204347620821

Pt 0.8906692197112986 -3.5878773215638149 1.5977648700762588

Pt 4.5684275734555726 0.5581748270335374 -1.2549458824421711

Pt 2.4722599298197929 3.7967773586428186 1.2406064927556000

Pt 3.8200719126852158 -0.4242743343749385 -3.6113147761841931

Pt -3.9879385507950085 1.8241928486530363 1.5119996341073658

Pt 0.5075494271554761 4.2533018549336106 3.0180549811032811
Pt -0.2218314030813817 -2.0200328001561609 -5.0247837003524767

Pt 3.8816485834686536 -0.6506843236941049 1.0507954674897770

Pt 4.1688731046189842 2.5653893647300055 -3.0697380480771352

Pt 4.4467157817413581 3.0550749278167166 -0.4461049287216631

Pt -0.4367572637584901 3.0452578335087845 -2.4130837043474802

Pt 3.8547175367552255 0.1352958476039265 3.6961879567879738

Pt 3.4283317304768457 -3.2785356234390686 0.7739202049182218
Pt -1.3363166283822137 -0.4818011816002504 4.4494572737490898

651
Pt -2.8443822005624462 1.7829913518880764 3.9846089199652770

Pt 1.9318675756942369 -2.3634367474609062 -3.4494516550305185

Pt -3.9225083465865560 0.2898807376245382 -0.7679767693173661

Pt 1.4687196012633212 0.0749286350307856 -4.7629019151233409

Pt 4.2975463097666697 1.8664354491660342 1.8519293758420834
Pt 2.6337300874069465 -2.0573532010510029 2.9897636725324919

Pt 0.2910684827959049 -2.6650876455877150 4.1699891778618587

Pt 2.0969956190174748 3.5672105833196044 -1.5454453647774988

Pt -0.0375796967495161 3.8350122605847132 0.1098417962344410

Pt -2.4342599406818843 2.6506648108666870 -0.5090199367081886

Pt 1.3063039968408308 -0.1561919776634287 4.2615766143012532

Pt -1.7978224918760832 3.3123537442384312 2.0384597434503990
Pt 1.6322191588357733 2.8162148360588901 -4.1694855425165018

Pt -0.2600018424173303 2.0040075580821610 4.3640248440196485

Pt 3.7348855147095330 -1.9491931989979827 -1.4305206931889574

Pt 2.3095705499757235 2.2747792873983355 3.6634348944229065

Mo -2.4687446074854855 -3.0606400386807011 -4.1069418517588385

Mo -1.0403857749919350 -3.7517236084074859 -0.1788938300525053

Mo -0.4749245768960313 -0.1228579297772279 -2.8846810943411607
Mo 0.9314056180095007 -0.7489992482356480 1.4095462471773679

Mo 2.1975743362352125 1.0688454148021882 -2.4125669075991358

Mo 2.3410263535495508 1.3413980684320306 0.1052506664830413

Mo -2.9274801929094574 -1.2013590331978903 -2.6728170874726218

Mo -3.1898965823040561 -2.3914664978003706 3.8908652453529302

Mo -3.6642610493349772 -0.8650096764876145 1.6221513484707524

Mo -0.3036340310269055 1.1558019328781488 -0.6134508849717529
Mo -2.8678351992726405 -3.9306263911439516 -1.7385119554205564

652
Mo 0.5464804022477037 1.9417126562271949 1.8439399848671962

Mo -1.6142557925075220 0.5612584166628654 1.9707075296107810

Mo -4.4649559348307317 -2.3852900767093170 -0.7558300906944070

Mo -1.6436319702460798 -1.2418060917537526 -0.3447279702833783

Mo -3.2917079898264321 -3.2876456172699950 1.0653106866388380
Mo -1.1855780046522553 -2.0973548889798761 2.2712453850333674

Mo -0.4802587351966137 -2.7625261294714094 -2.5913604119550198

Mo 1.2757768078966685 -1.1126789532652270 -1.0154909681004125

Mo -4.1635246892663744 -0.4043669495489311 4.1120366555510204

Pt35 Mo20 configuration: ∆E tot = 10.29 eV

Pt -2.9761621104813463 2.2192913216728885 -3.3323580207603700
Pt 0.1367765914427759 -1.0080347226713233 -4.3311767129000058

Pt 4.2811911986861251 2.0681418717877045 -3.1827635161600685

Pt 2.3967650608043778 1.0051426184246590 -0.1721463355909974

Pt -2.3857277622525492 -2.3318079126272813 -4.1847239207788389

Pt -1.7194729909893658 -0.1577434733569424 -2.4644770894882302

Pt -2.2799564528873253 0.2789886897679447 -5.1376804313594873

Pt -4.9068729107457099 0.0548379192605376 1.1903832882818906
Pt 1.2894767427432290 -0.9508253094022029 1.3251331750156057

Pt 0.0969946487055120 1.6079485042576682 -1.4207385897668869

Pt 0.8841737142741062 -4.1110795743682731 2.0630010376821386

Pt -2.1717914423285896 -2.9173590909671083 4.5154717938274702

Pt -4.0641819816891083 -2.2726306883167786 2.3747832602976016

Pt 2.6143937196379556 3.6468943683707828 0.7929568506561510

Pt -1.9764513399767543 0.8083354024845614 0.2159682111432887
Pt -4.4076731386946673 2.7114946208824380 0.8067967695259711

653
Pt -2.8717112457303449 -3.6943791757510076 -1.9102405232470145

Pt 4.8068924765199874 3.0347787051298121 -0.6517660853936064

Pt 0.3685609214583215 1.6861719727352711 1.3846114021747100

Pt -1.1091682291839993 -0.3527888646663916 2.4776314589778363

Pt 3.8886586998607919 0.1349827235374073 3.6552956710885778
Pt 3.5659291943615949 -3.7235071647344831 1.2106289954907625

Pt -1.0336817233411955 -0.2430340828334158 5.1942699649905082

Pt -0.8337587595436622 -1.5038175547399508 -0.1931666753307467

Pt 1.9374702695906298 -3.1958303706897460 -2.7467161441016859

Pt 1.9734501126105295 0.9965408777544743 -3.7905190713745784

Pt -3.3825329097529595 -4.2009311058730221 0.6203583138362604

Pt 2.6820497703623483 -2.3447968937847441 3.4051351679880750
Pt 0.1650246807675524 4.1103827838829856 -0.1850812115172600

Pt -2.3832121953529599 3.3040062630071150 -0.8971730127357233

Pt -1.7879957215264630 3.4933672121798240 1.6858204249908200

Pt -0.6781569704279127 2.1042925407532964 3.8357486894269610

Pt 4.1419459195723309 -2.2442667847043203 -0.9078773993421435

Pt 1.3045143242443880 -0.7954331705754191 -1.8066501811056979

Pt 2.3691553778376226 2.3377339969428896 3.1794159451663515
Mo 1.5756777424494794 -3.0627917111122094 -0.2254649441026145

Mo -0.6740425107925097 -4.1614852974251137 -0.1942221083862164

Mo -0.4638284290179859 1.6593584469009268 -4.0601718111459659

Mo -4.1014092735097787 -1.1333438962106730 -2.3438436376587535

Mo 3.6263896895879202 -0.8166164379535820 -3.0002727233642505

Mo 3.8356293579318583 -0.8291676264834228 1.2123886746151102

Mo -0.5406856781912159 3.7281679516606254 -2.8144427675023169
Mo -3.4354846579262874 -1.6131529957475952 -0.1746861001260696

654
Mo -3.0785002521425815 1.3449265791155394 2.5949881934778714

Mo -3.9778171667981814 1.0020764948166370 -1.2454741057979986

Mo 4.2969146739311661 1.5175886770727824 1.4701311837950160

Mo 0.1751967599260345 -2.2348198026656525 3.8431974219186000

Mo 2.2290575107456698 3.0756892372042772 -1.8514308842260361
Mo 1.2936182985833478 0.0185474034020837 3.6930147682768504

Mo -3.2764273654410152 -0.5000069192194422 3.9540344048843648

Mo 4.6020580741510262 0.3956012656186113 -1.2871313727595206

Mo 0.5982364249390679 4.0267371053421268 2.3955419125123538

Mo 1.4976569473993857 3.5705846037429625 -4.0599440829674363

Mo -0.6088406609493040 -2.6453094667207870 -2.4324616347180128

Mo -1.5083150234513658 -2.8976500641079475 1.9080941136673859

Pt35 Mo20 configuration: ∆E tot = 12.12 eV

Pt -0.0131046197578918 1.4257068749235116 2.1864709010129566

Pt 0.0154445851122225 1.4217715580399566 -2.1702437330812518

Pt 0.0001546645131972 -1.4757909347304681 2.1060374907813735

Pt 0.0005903774538970 -1.4149789311725063 -2.1028440911438819

Pt -2.2044587494752195 -0.0265057210096901 1.2593050463648485
Pt 2.2037821224452507 -0.0183166364865129 1.2496832215331299

Pt -0.0017477057812697 -4.6007367717710119 -0.0176948273773669

Pt -4.5811244533376110 0.0393089908237859 -0.0173469535900185

Pt 4.5860208986209594 0.0366504012588819 -0.0270151543951750

Pt -0.0006765340068537 -0.0180835819839232 -4.5569558623387270

Pt -0.0027276681538612 -0.0312469627283530 4.5141561488262845

Pt 1.4824138746092239 -3.7251929207454704 2.3134756214210519
Pt -1.4826003854269452 -3.7262428840522897 2.3157963575693401

655
Pt 1.4192169316289738 -3.7486907846635513 -2.2435595722151973

Pt -1.4203337569104502 -3.7459774679337241 -2.2414005623883595

Pt 3.7583085133247311 -2.2622514310817468 -1.3637665778524399

Pt 3.7638610939324373 -2.2762080799265383 1.4208118690048617

Pt -3.7572142640687360 -2.2593974229097271 -1.3600417207957636
Pt -3.7664835901131557 -2.2808070489193617 1.4275301454093592

Pt 1.3318280365034698 3.7939388024915104 -2.1876640748302476

Pt 1.3701643755387192 3.8020397854789247 2.2327486844149034

Pt -1.3504278316993661 3.7690867596237569 -2.2083553235506441

Pt -1.3757874897493734 3.7920292518748089 2.2476077026442134

Pt -2.2632601268985990 1.4207932545689244 -3.7248057985655887

Pt 2.2681585024117275 1.4065230195552443 -3.7362578861127664
Pt -2.2669060195285042 -1.4262407488378250 -3.7120870926741052

Pt 2.2685914558307898 -1.4280130793441352 -3.7131293545486708

Pt -3.6748313279026319 2.3333818333619658 1.4273985302202896

Pt -3.7070768736963355 2.3069254108232635 -1.3503356278269696

Pt -2.2930649941878469 -1.4844731855631030 3.6747330373695197

Pt 2.2939571309506839 -1.4804514154071446 3.6669188167232845

Pt 2.3339586425283145 1.5205087410039870 3.6491995456872139
Pt -2.3361178795387616 1.5201155936511674 3.6665797742236794

Pt 3.6991807826476322 2.3088755321298025 -1.3513599370919771

Pt 3.6765262187302858 2.3333243526993326 1.4103747762475805

Mo 0.0057745304167077 -2.6317279716458022 4.4193153335854580

Mo 0.0006675165398430 -2.7307182132562375 -4.4091057718628228

Mo 2.6554623191892350 4.4556387077411834 -0.0112034046105249

Mo -2.6240936666906252 4.4668701548346590 -0.0062468187497201
Mo 2.7409320830236128 -4.4439229473162687 0.0196104442721470

656
Mo 4.3668096159041143 0.0247059189537972 -2.7952418104081884

Mo -4.2645104352936016 0.0177232539741427 2.8603776087904924

Mo -0.0005062343846890 -0.0225190719224294 -0.0497339488105856

Mo -4.3551181332395785 0.0217387251331490 -2.7943811494273980

Mo 0.0151958180395982 2.5185086754243859 4.4544734598935420
Mo 0.0049104232281239 2.7071244609659613 -4.3887934550932481

Mo -2.7409799453781227 -4.4452054002138315 0.0215532909039827

Mo 1.4151470248778986 2.2925425196438032 0.0321858659673369

Mo -1.4306340585983310 2.2662740792982299 0.0299540117091868

Mo 1.5346594075409441 -2.4412461778399961 0.0399024758895615

Mo -1.5378263220456962 -2.4401268472364444 0.0437679914788978

Mo -0.0337517894780958 4.5443013611425025 0.0531584578721667
Mo 2.4026200634458608 0.0093869854322580 -1.5333998865192744

Mo 4.2607677436919511 0.0191689175293394 2.8581910722677613

Mo -2.3897398973382575 0.0101087163158565 -1.5283472862235075

Pt35 Mo20 configuration: ∆E tot = 18.66 eV

Pt 2.4947204318003098 1.2231134039529135 -0.2741988818827514

Pt 1.4335464734129268 -3.5326082811131787 -1.0394629869070804
Pt -1.0493227078896488 -4.1868612964740155 -0.3619151806663700

Pt 4.2492802059065680 -0.6481141260322349 -3.2657948445566918

Pt 3.9433116399059638 -0.8997609260607309 1.2371943506121756

Pt 4.3833222556450933 1.7570421323619225 1.5945843246068301

Pt -0.1848501185644884 -2.3444426920070018 3.6907535009643957

Pt 1.2525241739444981 -0.0242347607091151 4.1938445048203530

Pt 4.9398019165737050 0.4503767510403858 -0.8730364581810596
Pt -0.4852275101793757 -3.1252588742477858 -2.7841399344785289

657
Pt 0.0224486334122174 -1.4351846342537957 -4.9858771866398088

Pt 3.6070942270427291 1.8619685916702107 -2.8740895589314137

Pt -1.5612904242010095 -4.4847545560885838 2.3818542847587620

Pt -2.4843360258847915 -2.5633535948786150 -4.4926816311239834

Pt -1.3021136465360192 -0.6881698779468284 -2.1130630938150121
Pt 1.2495870483542786 -0.5554398835385204 1.5472445373973067

Pt 0.2060021179122555 1.7269205528099487 -1.5379093944564324

Pt 0.7983540190759795 -3.7029703468166790 1.5988968844792049

Pt -2.4814407528496409 -2.7337092772927836 4.8056653640109230

Pt -1.9890226524766113 1.0623589154110729 -0.0844562005787401

Pt -3.1718642805383630 -3.4161178893621358 -2.0407440046996301

Pt 4.5241067709407288 3.2196689833373480 -0.6660533522241513
Pt 0.4168178010507164 1.9197288422149850 1.3168853691060225

Pt -1.4134292552546888 0.1006266494546023 2.3424691894225069

Pt 3.7679328300419237 0.1406637967626577 3.5914784706635059

Pt 3.2651252438596949 -3.4285106708842026 0.9227826633382984

Pt -1.2999177297525413 -0.1748717264466197 5.0520163378356839

Pt -0.9128708394040124 -1.7033423229733931 0.4389655168434861

Pt 1.9687266717747105 -2.0654850981287840 -3.2860296531105861
Pt 2.1361999798576146 0.3598790196082511 -4.6032261382878774

Pt -3.5711232103746844 -3.8695308270225244 0.5506069279817633

Pt 2.4518607452659533 -2.2718791939330263 3.1751641633414946

Pt 3.7011450919840807 -2.0019939482411306 -1.1617185448222620

Pt 1.2034828374499065 -0.8957735031626815 -1.0911071229522356

Pt 2.2202856362268970 2.3599874937907623 3.3860965868936623

Mo -0.2357285424266755 0.8854015323633682 -3.9691798601142070
Mo -3.8348078458156372 -0.9153969293993587 -2.7875258356225148

658
Mo -0.4566350123051186 3.8131562504484773 -2.9702101778642431

Mo -3.3051095039689407 -1.4455832470806289 -0.3603683384820306

Mo -2.7867829036753782 2.0301819755855997 3.5507921949819687

Mo -4.3407209736702628 1.0012765737959679 -1.2909626937038019

Mo 2.0771171990781236 3.5915807473177264 -1.4699687662638588
Mo -3.6789407663739317 -0.5480594502456260 3.7880290997305130

Mo 0.6697067221602351 4.4112635718962903 2.3278038918234976

Mo 1.4291509084000820 2.9283678553830921 -3.8010917868296703

Mo -2.5442562421730961 1.6748967312366654 -2.7707119220244438

Mo -2.3102235629113230 -0.0329692869502426 -4.6693601637580544

Mo -4.0835093827907700 0.0983384904268033 1.6191313000222061

Mo -2.6290743438041111 -2.2432562692723881 2.3056639879195897
Mo 2.4745206775435444 3.5974446705564187 1.0680519038089806

Mo -3.9575715240201155 2.8060913149092155 0.6764952521867281

Mo -0.0107715097382814 4.1443796465398375 -0.1149934293723879

Mo -2.5280138029761665 3.5242701039565727 -1.0386710770995911

Mo -1.8343905904195643 3.2449590256251835 1.7195626177586427

Mo -0.4428265976454973 2.0036898681063260 3.8965149941409178

Pt35 Mo20 configuration: ∆E tot = 21.73 eV

Pt -4.6804878221447499 -0.0317024506385108 -1.2579273783740703

Pt -2.4544162155877074 -4.7535708456545844 0.1395535966910397

Pt 4.3365397990148065 1.7019597614211592 -2.5564293953329624

Pt -1.1247807074218996 4.4872567488419808 -0.7704455946899103

Pt 3.3274929201235239 4.1056979908689275 -2.0982945584491759

Pt -0.4945647006660835 2.3738150420706545 -4.9538998200852715
Pt -0.9709359543143649 -2.3056843778009353 -4.2511584035880814

659
Pt 3.3035626777032747 -0.1495582592668880 -4.1960583669404796

Pt -3.4102335672439295 2.0498495107525172 0.2342429042494771

Pt -3.1803610444873782 -1.6030366680659311 -2.8910903697662107

Pt 0.5892828784623191 -4.2031865016913823 -2.6419338370291356

Pt 2.0976552350238280 -3.2160532276001050 1.9405597440129394
Pt 1.7156207589648944 1.3827647152692266 1.2782197020816664

Pt 0.1940997566160462 -0.9318089671356715 -2.4619908927162086

Pt 2.3280443468377201 -2.9611692218985639 -0.7820450731939061

Pt -1.9852211214253770 -0.0886735650794376 -1.1578451048813392

Pt -1.9484413243915610 0.2632996739358847 -4.2530266298375805

Pt -0.9210899189142424 -2.6707686798265429 1.4045070438267497

Pt -4.6099647314291818 -0.1747199594425039 1.4585144302150705
Pt 0.7695558389311173 4.3976130374008111 -3.3020949667513761

Pt -1.9449687750896998 3.8703255931999165 -3.2580029206221965

Pt 0.4131575249339278 -4.5575905419626448 0.1436282441891378

Pt 1.9751319614513734 0.8393327005313642 -1.5611744611462441

Pt -0.7176478128578140 1.8998298171910848 0.1873565196323809

Pt 3.9573884825887604 -1.0058350672713117 -1.6551721153172636

Pt 0.5917157198174493 -0.8009689991979541 2.7260111698496794
Pt 0.4739738370852308 -0.7760845404778876 0.0557729322956486

Pt -1.8045784293236635 -0.0996687891917729 1.5855110132499064

Pt -1.2414790907179678 -2.9306346403702350 -1.4157012957868105

Pt -3.3771127063231687 -2.1962340702796781 0.0048839225784529

Pt 2.1331023188624187 -2.3001015727275473 -3.4274972649039839

Pt 2.0248690035330896 2.1354922540856562 -3.9850937934198569

Pt 0.7039448944552248 -0.0673109479357576 -4.8230314594997479
Pt -0.4865587780922113 1.7590306870596437 -2.4213918782323773

660
Pt -3.3368210754466161 1.8407143472453045 -2.5266155197733227

Mo -0.5523950520546436 1.8789252198597610 2.8812671334207423

Mo -4.3150120793086817 -0.2607824180201758 4.0876942707936994

Mo -3.2087139516916152 -2.0677681994045458 2.6172763883503145

Mo -0.0476001649122196 -4.6956848669126341 2.7395411704028114
Mo 2.9210251850267270 -1.0069863595985338 0.7873710695289684

Mo 4.1425182570373575 1.1975132017396761 2.3178390361368408

Mo 1.1852232618718603 3.2638910183105962 -1.1262751167967693

Mo 0.5851012457557999 -0.5973066124809121 5.3244082505189514

Mo 2.5740705750595709 3.4199694030624612 2.7020749596639555

Mo 4.2406567967912334 1.0745739230447329 -0.0586917127446967

Mo -0.9946992820437061 -2.7333547092269925 4.1355588013636808
Mo -2.2857299167023597 -4.6587413719734254 2.6093152974183718

Mo -3.3141202154750373 1.6061705645097761 2.8524309040336604

Mo 1.3671216374497051 -2.6504223385586898 4.4753352329272875

Mo -1.9085015155560483 -0.2646148673421519 4.2182823213822545

Mo 3.3651209273420251 3.3671537114415258 0.4479066909294668

Mo 1.9598165184303071 1.0695499322007522 4.0942136277585721

Mo 0.6958382897744769 4.0656924039392894 1.2256152258866091
Mo -1.8361498778355325 3.5606919475940173 1.7294824777173783

Mo 3.1809551825133924 -0.8510895685428095 3.4285138487732589

Pt35 Mo20 configuration: ∆E tot = 22.93 eV

Pt 0.0100051413042843 2.7910177959558715 4.4458673614898583

Pt 0.2008919135485206 2.8160170179670772 -4.4143191373585067

Pt -0.0105186938243518 4.5766969038387302 0.0305299521160865
Pt -0.0563496755437962 0.0115075155792873 -4.6224970941998906

661
Pt 1.4693295593365614 3.8387232324762519 -2.2963784750482885

Pt 1.4546789234211002 3.6548593816630435 2.2863305538679910

Pt -1.3027219373729737 3.8238460860071966 -2.3609456136636657

Pt -1.4748529964034705 3.6376391877913679 2.1774702151675580

Pt -2.1300870965487371 1.6562185750610618 -3.8156115876326142
Pt 2.4467711183520979 1.5217296766747439 -3.5817132513348362

Pt 2.2840734194348999 -1.3750098693910537 -3.7595900844253407

Pt -3.8774452808038551 2.2221950184505190 1.1891082084505777

Pt -3.7165360208003668 2.3433507531759092 -1.7194232700879368

Pt 2.7800937675809156 -1.6323978741167742 3.3953088592135519

Pt 2.2118733322341151 1.2143562260654532 3.8230494433068216

Pt -2.3864610518178266 1.5492091767169809 3.8786339182803760
Pt 3.8355697210542981 2.2327917697940687 -1.2360180894979105

Pt 3.7383454210073936 2.3773471022393697 1.5224708583808113

Pt -0.1518325512295126 -2.8423730581430133 -4.4120883083494764

Pt 2.7282408629233497 4.4137396002311240 -0.0014466170302082

Pt -2.7322188311442601 4.3670019059700316 -0.1097186186278711

Pt 4.5624812430928365 -0.0746087317952751 -2.6292122922434151

Pt -0.0696518669227559 0.0035328362790787 -0.0517870019506365
Pt -0.0962594283501812 1.3651954883322890 2.2085024996140232

Pt 0.1369004227995710 1.3851177884082082 -2.2484111823234505

Pt 0.2036012630514963 -1.4143201173261200 2.4181955598271268

Pt -0.1043909572890042 -1.3607633914339083 -2.2172542959043584

Pt 1.2924986057737418 2.2542657789466864 -0.0211066633623290

Pt -1.5642559855412854 2.0801573584664301 -0.2199019989373964

Pt 1.4521058554626050 -2.2990709568411045 0.0612565552877721
Pt -1.4227612413868289 -2.2793529560410071 0.1513608310346167

662
Pt 2.2815560353535251 0.0433145516630426 1.3795287594413690

Pt 2.2997048567327147 -0.0792455525528966 -1.3625127408416193

Pt -2.3090950260902825 -0.0139368393207674 1.4968149364581118

Pt -2.9337754162916787 -0.2174929437815668 -1.2100073731862619

Mo -4.0454208774629912 0.1815191474050909 -3.4594129905583575
Mo -2.9822554791402083 -4.4151354035143857 0.2091840774109256

Mo 4.5217463939605773 0.2436332473688415 2.5823236585436415

Mo 0.0678286183030277 -4.5077375782287303 0.0014197332512039

Mo -4.7994073127543038 -0.5205984090880876 0.7177077869937324

Mo 4.6615454244084757 -0.0110167138995339 0.2326907917811646

Mo -0.1868482919656020 0.2031001836646439 4.4916833867508439

Mo 1.1110079674370033 -3.9302781731599037 2.1566920800960494
Mo -1.2000015791138463 -3.6633447249738307 2.5788874688016890

Mo 1.4694655509422432 -3.5780811810808046 -2.3064076979623351

Mo -1.4334191316095406 -3.5974123907185276 -2.2157323535998543

Mo 3.6438859007096305 -2.3015610072951809 -1.4555293084262080

Mo 3.9737266576564454 -2.1432802135783864 0.9460351792683822

Mo -3.5056582026964560 -2.8270386705275099 -1.4077490692135135

Mo -3.5297119742284662 -2.3405403702767766 1.7115621017262657
Mo -2.3186953133034263 -1.1999783829918806 -3.6543251227139173

Mo -2.1006490092684715 -1.2089041420520257 3.8683874195534207

Mo -0.3885643546480793 -2.6651037609585351 4.6105462372243657

Mo -4.5395080134642747 0.3357328463644426 2.7826684323512993

Mo 2.5314256211354080 -4.6452327394692592 -0.5651166272094285

Pt42 Mo13 configuration: ∆E tot = 0.00 eV

Pt -4.4198753779038924 -0.0000000000000051 -2.7288492383460494

663
Pt -0.0000000000000061 2.7288492383461898 4.4198753779038800

Pt -0.0000000000000061 2.7288492383461898 -4.4198753779038862

Pt -0.0000000000000061 -2.7288492383460530 4.4198753779038800

Pt -0.0000000000000061 -2.7288492383460530 -4.4198753779038862

Pt 2.7288492383461889 4.4198753779038755 -0.0000000000000033
Pt -2.7288492383460494 4.4198753779038755 -0.0000000000000033

Pt 2.7288492383461889 -4.4198753779038915 -0.0000000000000033

Pt -2.7288492383460494 -4.4198753779038915 -0.0000000000000033

Pt 4.4198753779038773 -0.0000000000000051 2.7288492383461933

Pt 4.4198753779038773 -0.0000000000000051 -2.7288492383460494

Pt -4.4198753779038924 -0.0000000000000051 2.7288492383461933

Pt -0.0000000000000061 4.6395144393539054 -0.0000000000000033
Pt -0.0000000000000061 -4.6395144393539214 -0.0000000000000033

Pt -4.6395144393539223 -0.0000000000000051 -0.0000000000000033

Pt 4.6395144393539072 -0.0000000000000051 -0.0000000000000033

Pt -0.0000000000000061 -0.0000000000000051 -4.6395144393539161

Pt -0.0000000000000061 -0.0000000000000051 4.6395144393537535

Pt 1.4102168591099189 -3.6910265642274971 2.2817153194204445

Pt -1.4102168591099284 -3.6910265642274971 2.2817153194204445
Pt 1.4102168591099165 -3.6910265642274971 -2.2817153194204516

Pt -1.4102168591099284 -3.6910265642274971 -2.2817153194204516

Pt 3.6910265642274882 -2.2817153194204551 -1.4102168591099233

Pt 3.6910265642274882 -2.2817153194204551 1.4102168591099191

Pt -3.6910265642274980 -2.2817153194204551 -1.4102168591099233

Pt -3.6910265642274980 -2.2817153194204551 1.4102168591099216

Pt 1.4102168591099165 3.6910265642274891 -2.2817153194204516
Pt 1.4102168591099189 3.6910265642274891 2.2817153194204445

664
Pt -1.4102168591099284 3.6910265642274891 -2.2817153194204516

Pt -1.4102168591099284 3.6910265642274891 2.2817153194204445

Pt -2.2817153194204516 1.4102168591099173 -3.6910265642274926

Pt 2.2817153194204445 1.4102168591099173 -3.6910265642274926

Pt -2.2817153194204516 -1.4102168591099276 -3.6910265642274926
Pt 2.2817153194204445 -1.4102168591099276 -3.6910265642274926

Pt -3.6910265642274980 2.2817153194204427 1.4102168591099191

Pt -3.6910265642274980 2.2817153194204427 -1.4102168591099233

Pt -2.2817153194204516 -1.4102168591099276 3.6910265642274909

Pt 2.2817153194204445 -1.4102168591099276 3.6910265642274909

Pt 2.2817153194204445 1.4102168591099173 3.6910265642274909

Pt -2.2817153194204516 1.4102168591099173 3.6910265642274909
Pt 3.6910265642274882 2.2817153194204427 -1.4102168591099233

Pt 3.6910265642274882 2.2817153194204427 1.4102168591099191

Mo -0.0000000000000061 -0.0000000000000051 -0.0000000000000033

Mo -0.0000000000000061 1.3554687039133257 2.3265037532405963

Mo -0.0000000000000061 1.3554687039133257 -2.3265037532405981

Mo -0.0000000000000061 -1.3554687039133360 2.3265037532405963

Mo -0.0000000000000061 -1.3554687039133360 -2.3265037532405981
Mo 1.3554687039133273 2.3265037532405919 -0.0000000000000033

Mo -1.3554687039133368 2.3265037532405919 -0.0000000000000033

Mo 1.3554687039133273 -2.3265037532406025 -0.0000000000000033

Mo -1.3554687039133368 -2.3265037532406025 -0.0000000000000033

Mo 2.3265037532405910 -0.0000000000000051 1.3554687039133300

Mo 2.3265037532405910 -0.0000000000000051 -1.3554687039133317

Mo -2.3265037532406034 -0.0000000000000051 1.3554687039133300
Mo -2.3265037532406034 -0.0000000000000051 -1.3554687039133317

665
 Pt42 Mo13 configuration: ∆E tot = 1.16 eV
Pt -3.1879457569369194 -0.8547895170117162 -2.6337736734678754

Pt 0.8263048408082986 -1.1685633534075190 -0.9883904934117448

Pt -4.7312049029049410 0.2958491199872507 1.5229381273822666
Pt 3.5374038420780831 -0.1155769094622498 -3.0442524980957288

Pt -0.9651483005617284 0.6620673579104993 -1.6686561136238462

Pt -2.6105949287341783 1.8732817654088472 -3.2654425662033604

Pt 0.0620749315490293 -0.5168542092254887 1.4820818575215395

Pt -2.1210728626770470 0.7702872559077522 0.8372732632425485

Pt -2.2454500503454158 -2.7442269019689070 -4.3644157444431961

Pt 1.9442840155642582 -4.0622645938132367 -1.3207979333154074
Pt -0.5033191860701612 -3.8931563927536108 -0.2256808629193952

Pt -0.4451329446309570 2.1062608080251208 -4.8965645012642582

Pt -1.9610261559736475 -0.0979226140336839 -4.9729033333858785

Pt -1.0955595750526019 -2.0821369603575159 4.6721326607352358

Pt -4.6640418252830580 -2.2762517585834967 2.2785644023476732

Pt 4.6549687988765553 0.5598845024075999 -0.6907429933080081

Pt 2.5080988502511365 5.0976119565613258 0.5712563884489755
Pt -4.2212747534645940 2.8487577824640566 0.9381223018324508

Pt -2.8320167552210087 -3.4772614026810489 -1.7700740434685533

Pt 5.2811928543853393 -1.5206400796371402 0.7574937847347697

Pt 4.1153313578219466 2.4828640344623554 -2.3291358998987621

Pt 2.9220751448064375 -0.3547953622957766 3.8628410526294350

Pt 3.9882685006215510 -3.9209666147999660 0.3425850125768798

Pt -4.3909000299830723 -1.6747755795872470 -0.3808100887155504
Pt -1.8150542861092280 0.4189529382794822 4.9087512439812455

666
Pt -3.1107597274556777 1.8942114817007609 3.1995347849964806

Pt 1.9171137310080131 -2.2147987131814477 -3.2849751222810304

Pt -4.0329627389462761 1.0559005273528712 -1.0242327151196382

Pt 1.2226240686770677 0.0526976941957296 -4.4783229315561730

Pt 4.4868763108626109 1.0828780942077016 1.9181410991614183
Pt 3.7008494677637418 -2.5287794880216397 2.6142371792078820

Pt -0.8801532184337274 -3.0896467653436530 2.2458322865488616

Pt 1.3330784403593461 -2.6778553870722144 3.7552121442319000

Pt 2.1043583393662839 4.1339672617996932 -1.8721110502354525

Pt -0.1164894481664683 4.5644053089335079 -0.3996188590311359

Pt -2.2228564933714514 3.0623718700773064 -0.9271363372810805

Pt -1.6701313923827155 3.5304605838578071 1.6511605398942661
Pt 2.0241206555838769 2.6148956828425898 -4.0591738311706012

Pt -0.3771597719110463 2.2935767247157401 3.6449209687312680

Pt -0.2852916810227318 -3.7561516410227753 -2.8652769676136400

Pt 2.1343201057857382 1.9043979043276664 2.7493627854785712

Pt -4.4538656241965100 -0.2416441717193458 4.1637406221266735

Mo -2.5284967348082743 -0.9519604401867653 2.7486872395046134

Mo 0.4525664355795661 -0.1257623446024451 3.8510745183739470
Mo 1.6622692385843940 -2.8777847351229351 1.0891978379563056

Mo 0.8335390852046364 3.9036579251962231 1.9685169115134586

Mo -0.5139501127502467 -1.2639157123384153 -3.3198388429536254

Mo 2.9476040684858758 2.4947803159742117 0.1517137390644069

Mo -0.1288918338459174 2.9276005153656692 -2.5443359472534417

Mo -2.9486673357446831 -3.4919564819043933 0.8078257241837444

Mo 3.4132886319969393 -1.8096100253169616 -1.0062113673407280
Mo 2.6792623671329903 -0.5063220696901140 0.9925423751604273

667
Mo 0.4093937394845565 1.9575364905393406 0.5549221934826137

Mo -1.8279670005809348 -1.6148448179956145 -0.1988712128136743

Mo 1.7261176049269478 1.3220591406362121 -1.7489171148780729

Pt42 Mo13 configuration: ∆E tot = 2.98 eV

Pt 3.3357251236215628 2.3889146805200938 -3.7884937917182326

Pt -1.6125439292525900 -4.6338020205573907 -1.2285243073148078

Pt -4.3540902391331091 -2.2572238378942671 2.5351823309898038

Pt -1.7835832356219701 1.4021548451685306 -1.6713777710435320

Pt -1.5504007797394710 1.7530427880446156 -4.3631325316761238

Pt -2.3775154493134583 -0.9906278932076815 -4.1800267267715530

Pt -4.8127476534465163 0.3951204295907673 2.2829768322988344
Pt 0.7271137272607628 -3.8575604803276149 2.5499792797503233

Pt 0.9470680863186995 1.2225141239961403 -1.4044715307699758

Pt 2.3600325286221331 -0.4563393971094967 0.2451463721897403

Pt 0.9767825192197161 -4.8677809608826204 -0.1430147118360820

Pt -3.9521036766783428 -0.1224981603068698 -2.1952098461146590

Pt -1.9878279846570823 -3.5061499277996346 2.8609992689720003

Pt 5.3917390460950454 0.6122172500704495 -0.3105109640176180
Pt 2.9563113747247822 3.8460142714402168 0.8415327037147678

Pt -1.5215771091939789 1.4103598533030834 1.1402239223245434

Pt -4.5395886487348438 2.9893503663685324 1.6306986160192369

Pt -3.5426198171001548 -2.7900145473151752 -2.0523082422993979

Pt 0.5689816072247904 4.4551631092207549 1.8116464113581434

Pt 0.6901870085371140 -2.1743080676042381 -4.5879589469291435

Pt 4.5369213573955616 -1.0969380003409781 1.7197729913883169
Pt 4.0480797990332817 2.7045084203210679 -1.2391598551119725

668
Pt -0.8624965884542153 4.0015981190127183 -2.7026777729190399

Pt 1.1885115924565692 1.8152023491673561 1.1855635072882140

Pt 0.0031759655912306 -0.7487899740591444 1.6280067232783952

Pt 3.5406204096500797 0.4874517966093976 3.7003245600514192

Pt 2.9929661197939983 -3.3877475749492674 1.0079601923600936
Pt -4.9534564029957924 -1.2105750259312145 0.0243252078541816

Pt -1.2300222950353916 0.5667895148795226 4.8794028156636422

Pt -2.3460511615065176 -0.9755721978752177 0.1680448960293349

Pt 3.0721593466429535 -1.9318837017722443 -3.2640403905755817

Pt 2.0824978278647213 0.1972168709021731 -4.6525101001640170

Pt 2.2343785846943742 -1.7207463781081969 2.9928857942239575

Pt -0.2474002062677361 -1.7806242230357809 4.1183640416322387
Pt 1.6705026288818114 3.9260509883662196 -1.6468796641392285

Pt -3.0881133432571577 3.6422337977877448 -0.7400492720771948

Pt -2.0333937690389892 3.9864718569813591 1.7839945829011075

Pt -0.4206593003260171 2.8229575615528888 3.7039467862630802

Pt 0.7496928633764319 -4.3024026836341500 -2.8470542210344916

Pt 4.4039423525400903 -1.8468065343449012 -0.9372468136382620

Pt 0.0656566168548860 -1.2997513297276924 -1.0418486222421788
Pt 2.4240639633599632 2.8989426852352040 3.3619732945257002

Mo -1.1136959466826628 -2.6540152895933828 -2.7623432753744281

Mo 2.0441501411466949 -2.8337762045787911 -1.2141361406128877

Mo -0.1163004982014915 -0.0887702329423745 -3.4461312046028012

Mo 0.9867573925093946 0.6170537172309936 3.5809837844978776

Mo 3.3537729396644433 0.3780219179660151 -2.0410196877649809

Mo -2.8237172969710347 1.7629002357257577 3.2386097963186331
Mo -3.8384937652218785 1.2300108467200119 -0.0250352664193740

669
Mo 3.7199747153695246 1.4322056480809011 1.3697606852382964

Mo -3.2170006256267900 -3.2929678493640693 0.4659692402943881

Mo -0.7329527001607890 -3.1895267874034459 0.6745420473667340

Mo -0.4918113855591120 3.4254498567312823 -0.2982573805098609

Mo 0.8503213419397948 2.3469686735046538 -3.6057402794190891
Mo -2.3719231722133234 -0.6996872938326049 2.8863426323034989

Pt42 Mo13 configuration: ∆E tot = 4.51 eV

Pt -4.0699456151300204 -0.1956701596308199 -1.6077689251034111

Pt 4.5701521046695905 2.0478268732498792 -0.0689578491845817

Pt 2.0459857214204251 -2.4826598378714215 1.4760032999842883

Pt -2.8846992890196188 -4.6840821520288047 -1.0803372543040803
Pt -1.0915442057748912 -2.7938735184984416 3.7748050609216537

Pt -1.1801719775176132 2.2618241835610911 3.5476132608781374

Pt 1.3580050225721187 -2.9316476366465714 -1.0492815390858647

Pt -2.2135973730293839 -0.6268192184125758 -3.4865674204708594

Pt -3.9848290287693229 0.1607718869159573 3.8922277216637755

Pt -4.4385287379587162 -0.1038322759553956 1.0901160489438302

Pt -3.3228008171103167 -2.0766317101015210 2.6013734173993330
Pt 0.6496446196052580 3.5215829294509313 -2.9188699450644688

Pt -1.7044748282481201 3.8824660348549189 -4.0080381823474589

Pt 4.2313544977931805 1.2776428047139536 -2.6361948364345094

Pt -1.8236568959978392 4.0245600047164105 -1.3628633418158638

Pt -0.3741147673885870 -4.7281305411142656 -0.2349121806367800

Pt 0.4053629470433162 -4.4086674338696641 2.2663194022739108

Pt -2.2717432229894681 -4.3848359627579443 1.5968539846107352
Pt 3.5904843652504783 -0.4323952202055046 0.6172696250830005

670
Pt 3.0222512867606222 -1.0061347065234236 -1.9155276828209618

Pt -3.5838444815347938 2.3821315677353874 2.4778120992971000

Pt 1.5792331974011553 -2.8557710932786740 4.0513488247097920

Pt -1.5137002828095198 -0.2716944713233410 4.6378695051325032

Pt 4.8455372346463896 1.1702740689856672 2.4996386655670082
Pt 3.0479718665101276 4.1031821768991703 0.8782757856170098

Pt 3.0645085075277367 3.6585047952927447 -1.7097518953035797

Pt 1.3161189237581574 1.6052916716877708 4.0258383587755198

Pt 0.8884956742307405 3.7473220489264230 2.4730325053286921

Pt 0.6365271030267802 3.9848232849046377 -0.2805140699896323

Pt -0.5798430004745648 1.3731338989690323 -4.1012193589613410

Pt -1.5988473919836075 3.7738946221685881 1.3017664152267832
Pt -0.7196462996386083 -2.5532222362042041 -4.4835984541552811

Pt -3.6181813412153301 -2.4034592142334765 -0.0096683995856035

Pt 2.9988666533030712 -0.5588929775816900 3.3173729443879556

Pt 1.9107365106710184 -2.6316630503134042 -3.7968410367222529

Pt 2.0471260638849347 1.6616816291588941 -4.0970854834473407

Pt 1.0074251033346553 -0.6109387263727633 5.3448796613695357

Pt 3.4170684868188923 3.3585364987593396 3.3526628043040350
Pt -3.0344021899196716 1.8935085731700714 -0.0785660025498738

Pt -3.7828084016005019 -2.6743064522031523 -2.6761968672698626

Pt 0.1856917977358573 -4.5115901696745313 -2.8252155539657733

Pt -2.8880575267784789 1.8810314209038996 -2.7796625626525722

Mo 2.5327618507817258 1.7043598600019743 1.6384902981658802

Mo 0.4054534343031583 -0.7566610934178590 -2.5483609527122408

Mo -1.6990634093547747 -0.4716666066854010 -0.5391897568149739
Mo -0.8803643458600413 -2.2842699157306732 1.1444777895592926

671
Mo 2.0724485980325520 1.4116040206328955 -1.0978733943598054

Mo -0.0698952084787515 1.5991183665346018 1.1560716710633618

Mo 0.4023702647488853 -0.7526696465013720 2.8331623132025956

Mo 0.9261000955653634 -0.5506279630336173 0.0426965626069095

Mo -2.1109278356902732 0.2158759012609601 2.1070769634467754
Mo -1.4136994396627749 -2.7259592761550500 -1.9415741207492057

Mo 1.0114646889217778 -0.5110959983235666 -5.0234913201773530

Mo -0.5990570818885709 1.7988676118023694 -1.3646518640541070

Mo 3.2832983755061926 -0.5199474706084408 -4.4222747387797590

Pt42 Mo13 configuration: ∆E tot = 5.71 eV

Pt -4.1704906875445538 -0.3079934620345574 -1.3770528174608623
Pt 5.3545347134115113 0.5078380011574263 -0.3376894084019548

Pt 1.9966573458675905 -2.9439102417892236 1.8375710386914383

Pt -2.0162605422186424 -4.5206616235465988 -1.0025554903060347

Pt 1.8749791908855125 1.0196358149782463 1.6004891647657919

Pt -1.2325479127886008 -2.6093563449121127 3.6901239305191118

Pt 0.4842191585644320 -0.4788030231792652 -2.4984549199531023

Pt -0.0635514169215662 1.4861182322586663 4.3565932711584896
Pt 2.4408822059915316 -3.0292334062209938 -0.8122322691419847

Pt -2.4768537625663605 -0.4924318574320642 -3.4841117422792656

Pt -4.3615041281189058 0.9281174794788333 2.5177752064519319

Pt -5.5367178631548590 -1.0189182837459305 0.8710297596316156

Pt -3.6557668433759254 -2.1825749029358383 2.6854228910018683

Pt 0.7405869332388056 4.4356167695574866 -3.5305737137878146

Pt -1.7784109378636652 3.7321404455355371 -4.1952678740134797
Pt -2.9498998560131007 4.2865532523276411 -1.4256246810493118

672
Pt 0.3104497713537205 -4.3545032527593692 0.3409646426335132

Pt 1.0199843582718850 1.4764706227850746 -0.8310689600925919

Pt 0.2153804912089195 -4.6550302831330557 2.9562467253950095

Pt -2.0776871162509671 -4.1496221951207106 1.6053563124139503

Pt 3.7954671356035909 -1.3233062977719903 0.8152130352485351
Pt 3.9814523683317176 -1.0936917402539286 -1.9559235446425001

Pt -2.1954912852035697 2.5186860327195739 2.9339123122582884

Pt 1.2950121058333541 -2.7643570757405036 4.4402899267918929

Pt -2.0758872454608159 -0.1285527804562582 3.5621694235419477

Pt 4.4412162768223178 1.0638693441887477 2.1084993134977048

Pt 4.1042464978716007 2.9444051012948242 0.0731780541208472

Pt 2.9293272240683748 3.8158545610691328 -2.1724000788685607
Pt 2.6165055057269662 1.6282340725818067 4.1116054075824469

Pt 0.3369693177439251 3.3226398714143293 2.4903500289057683

Pt 1.3555564173577783 3.8910586292484672 0.0154894198869065

Pt -1.2730531693204876 3.7581341635233989 0.5534542119681493

Pt -0.5989405937849989 -2.2716758525507124 -4.1929464266987093

Pt -3.8414470950604844 -2.8560105435710432 0.0168735848657394

Pt 3.1097245104831934 -0.9903473280050553 3.3769817508866020
Pt 2.1419085611653976 -2.3355052397417189 -3.4023516344530953

Pt 1.5230814254573095 -0.3513667108415012 5.4698795241234723

Pt 2.9487954099380302 3.4609156251233251 2.3352189847130966

Pt -3.4099848208249135 2.0603117241323381 0.2815048502950950

Pt -3.5892549403648495 -2.8427261872571257 -2.6074385832459490

Pt 0.2840471231617992 -3.8569733538024713 -2.2057539255703751

Pt -3.1105406046429174 1.9401002381053325 -2.5331421307703841
Mo -1.5375320808674753 0.4547078309967413 -0.9883539883777793

673
Mo -0.8138007673371100 -1.8824811603702165 1.0594373819417362

Mo 3.4269444884284646 1.3454700709723304 -1.6608220971482675

Mo -0.8034132184833390 1.0581638967804188 1.3889139812908597

Mo 0.5326451029715723 -0.6466593050473909 3.0251870248838961

Mo 1.2023054957054773 -1.0094517875187683 0.0632710626438256
Mo -3.0205281036525626 -0.4695270186534207 0.9227659065922938

Mo -0.8418502572417276 1.4242892550818476 -4.0822963565589259

Mo -1.4615142576161271 -2.0983739039579752 -1.5798458243212943

Mo 1.4743619498911504 1.9704166280211575 -3.4517085300704742

Mo 0.8000335009642622 -0.2267129518832695 -5.0982271411012743

Mo -0.7148607142201336 3.2491270223542039 -1.8799058496795149

Mo 2.8705156345784686 0.1118834285461835 -4.2000201407083306

Pt42 Mo13 configuration: ∆E tot = 7.04 eV

Pt -1.0818902338934009 -1.8939560440298953 -1.2523700035586940

Pt -0.1760096427747840 0.5316173826830064 2.4348568708591283

Pt -1.7552738567565285 0.4304798916323560 0.1974967396478077

Pt -3.6270123433900894 -1.8959694289624343 -0.1753005671538813

Pt -3.9951067591739475 -0.1066949218919464 1.7994980675697925
Pt -4.4016243809088396 0.5980644639961352 -0.7234569103428737

Pt -3.8873169751649188 1.1208870787544039 -3.7809745917789552

Pt -1.0840376041643907 3.5059454929421316 3.9352082087216518

Pt 1.3339981450833307 2.8230533096168524 -4.2327374502694521

Pt 0.5349358334113418 -2.9418737867205240 4.8667387897765497

Pt -1.3937112221910979 -3.0122128040609115 -4.3743036096675194

Pt 3.0060739887688355 4.4181772511749777 0.5926076375702009
Pt -2.0401743713735216 4.1360653269180965 -0.6175791777735907

674
Pt 3.2587602344141571 -2.8408125895042846 0.3338765899716988

Pt -1.7748657641168080 -3.9998862150784080 0.2010612943108486

Pt -3.2469533947124605 -0.7492221266391144 4.2615148715405597

Pt 0.4663774969658078 4.7223319883565402 -0.1338994704442326

Pt 0.9541888286966042 -4.1961770560462135 0.2064282670729553
Pt -4.5143891612377987 3.2452358402546477 -1.0122938082030670

Pt -0.5246553496465766 -0.6977777518207122 -5.4274363765085933

Pt 1.1805971625099574 -0.2193275675258124 5.3589706907991159

Pt 2.1755739461264083 -3.7599227180945749 2.6757281221201215

Pt -0.5515609768112711 -4.0423176795576730 2.5625745524011494

Pt -0.2252192884831715 0.3754689127616608 -2.1631519193243474

Pt 0.2122230628259302 -1.7988169746910818 1.2827340924845501
Pt -2.9707713923550729 -3.5288897298232942 -2.2114479857178377

Pt 0.8117336038324822 1.4512986621311053 0.0630628250006892

Pt 1.5829164729006238 -1.2427279274954122 -1.1663869770534190

Pt 2.4576055592479547 -0.3409124673032156 1.1150916867828229

Pt 4.1069907612121197 -0.2872937815092373 -1.1489068685144288

Pt 3.3500412937967807 0.7378628778809255 3.8454891786735788

Pt 1.8532101014041757 0.2132822893373114 -4.4755642589527849
Pt 4.7388403126311429 0.8193495609185502 1.4698257692349486

Pt 3.3109773381256131 -1.6403171527664744 -3.3700670512827013

Pt 4.2646076442658822 -1.7729475984617300 2.5773589470004357

Pt 4.1002216247806897 2.3140736711984968 -0.6628000374701469

Pt 2.1988015252143809 -3.6640814324922846 -2.0687657713734620

Pt -0.3693151017350801 -4.2871699227738880 -2.1797236547490808

Pt -4.4128941581270711 -1.3185530636196352 -2.6414795975909140
Pt -2.8945468846485456 -2.6925456280158531 2.2361861545019006

675
Pt 2.4815694017920604 3.9377342961778647 -2.0529916094870213

Pt 1.2093946322859381 4.2703179094125394 2.6215990936317199

Mo 0.0420444067069666 2.9881211368584073 -2.0379335246085031

Mo -0.7856682148238406 3.0153592576242088 1.3550946553108687

Mo -1.2901276526133472 1.6880255642449493 -4.1072431191337113
Mo 2.2877623993534995 1.3587087519982044 -2.2255290756221324

Mo -2.1670877972974525 -0.7562623687858863 -3.4599051660829598

Mo 0.7126255174317208 -1.9629045013562807 -3.4144360490700176

Mo -3.2137680487074194 2.3457974661492753 1.2306180198900776

Mo -2.4152711606387642 1.9682301576346186 -1.9083106432100705

Mo -1.0710023848059904 -1.6721861552893420 3.5537307381661254

Mo 1.9247515134846538 -1.4052617226680615 3.3486250188546096
Mo 1.1088164193864458 2.0050335703539841 3.8864410185148346

Mo -2.3909878618727562 1.4762531728245130 3.2734932724424413

Mo 2.5956027557694368 2.2302458331484130 1.7390841020932222

Pt42 Mo13 configuration: ∆E tot = 12.10 eV

Pt 1.5248330017106584 -4.2276221234805709 -1.0326283466218380

Pt -1.3347303503679653 -1.3319667672603386 -1.8877639525885608
Pt -3.4623990124272583 2.2937054312359910 -1.6109568134813979

Pt -1.8474432673306920 1.1085101858233477 -3.3669444441846150

Pt -4.8842138302161144 0.2943148865282258 2.2374018756417069

Pt 1.6328953217255107 -0.1535978283490053 1.7587319531476582

Pt 0.0923464715053344 0.7361968195179253 -1.1282061718365564

Pt 2.7521914101961724 0.8194364110948688 -0.4728544590518065

Pt 0.7131861147698659 -3.6428743855157948 1.5337016216495660
Pt -4.5425932809193936 0.3207946903082463 -3.1432545585895650

676
Pt -4.2072311635860897 -2.0601007544610170 1.0542159187235105

Pt 2.9780336288202389 4.0070634495136641 1.0049694337755246

Pt 4.5852321100717548 -0.4071993689202870 -3.1918021425833314

Pt -2.5898741058367167 0.1873786472025775 0.1140046339405090

Pt -2.4577849640362532 -3.6921378874399822 -2.9531499545897657
Pt -0.0042535638908303 -0.6406620013950558 -4.2767215502416880

Pt 4.4826237115185963 -0.9914857125369977 1.3196364107759668

Pt 3.2896555300745658 2.0566216135265725 -3.5138175582274767

Pt 4.2675783382581161 2.9122412365602761 -1.0933623209483196

Pt -0.9856986756313431 3.5817629982323607 -2.3006481616344883

Pt 0.9879857419724347 2.2959156380455985 0.8907659502480489

Pt -0.9170592702080738 0.9388088864196519 2.0355042862075936
Pt 3.8555235989665957 0.1583678376919541 3.5968298364577964

Pt 3.2736816080782742 -3.3823453523172433 0.9207407054962418

Pt -3.9598853177995497 -1.8657745336541736 -1.6266636174413700

Pt -1.3026096712398525 0.1461774940429724 4.7391196613497852

Pt -0.4983191710063464 -1.4126350472592419 0.6810074234076340

Pt 2.7106703540459987 -2.5286676101449204 -3.0959018610380196

Pt -5.1267245733078992 0.3340787704548650 -0.4539395101450803
Pt 4.6035328916365019 1.7352706772171294 1.3799426337525902

Pt 2.4379877199508511 -2.1427305353388122 3.1285222505203012

Pt -1.9787665075806755 -3.4772363077056654 1.7890958079520076

Pt -0.3069360086753390 -2.0236921562397883 3.4839553362727127

Pt 0.3098394900489838 4.6645376566388688 -0.0317910316912171

Pt 1.2935407751763224 0.1424298938038754 4.3210257111864490

Pt -1.6726509459838352 3.9496289077197266 2.1683847501888760
Pt -0.1612463763448800 2.5417997982175100 3.9810028890346114

677
Pt 0.2057510097236106 -3.2143906075301616 -3.2003445650422617

Pt 4.5554921377077990 -2.1540645454621754 -1.1196230585750622

Pt 1.8887643353816488 -1.6114387460129207 -0.6364723060362432

Pt 2.4479405196810515 2.3736088263334372 3.2058151014801961

Pt -3.8928966097651769 -0.1788318938384620 4.6431627340089232
Mo -1.3033385340435641 -2.7221800254983166 -5.1866118850740142

Mo -0.9598020045181270 -3.5538990338391714 -0.6809916255263497

Mo -2.6714714676138445 -1.3136361449787854 -4.0572360184849847

Mo -2.5159731760260402 -1.0388581353840449 2.6291684954065442

Mo 5.0463516547956120 0.2607349063999739 -0.7682858683409004

Mo -3.8727635728038936 2.3284152312054109 1.0304285570104061

Mo 0.9688013535705950 4.3027363338711222 2.5504253427730799
Mo -2.9090342521988677 1.8969017729372970 3.1947717250052090

Mo 2.0622522703890636 -0.0981355362672630 -2.8238118424154277

Mo -3.2848202686019934 -4.0228398744641956 -0.4396208779545712

Mo 1.5927756853095305 2.9025103120653588 -1.6666409612719415

Mo -1.5264343204592050 2.6746010011177779 0.0052141503075196

Mo 0.6174874773341346 1.9244526015678067 -3.6374997321041218

Pt42 Mo13 configuration: ∆E tot = 16.65 eV

Pt -3.7048852794943152 -4.1193192706836763 -1.4136890405244256

Pt 2.1332233893839954 1.5100273909113200 1.8270970804162137

Pt -1.0140617929972158 -2.6048817773304176 4.2331050807082775

Pt 0.5301808949982426 -0.6031649858641935 -2.5081040354851734

Pt -0.4921165724896926 1.9374389403156365 3.3812609658791151

Pt 2.5874675428160345 -2.6834533472300266 -1.0065732229504809
Pt -1.8707467515626335 -0.2697939448706272 -1.2079171299634071

678
Pt -1.9384569791153869 -0.1605287417292828 -3.9943182571404297

Pt -1.0598172587595016 -3.0508896673782764 1.5378610500705063

Pt 0.7032235790177083 3.8945319849050319 -3.1189421670434960

Pt -1.9949973653781270 3.8226163102542015 -3.7287557753520906

Pt 4.6019019459146353 1.4129716068744231 -2.8508526379282255
Pt -1.8232335242568789 3.9011315030397768 -1.1261755442111656

Pt 0.8586753093948535 -4.5915386234491473 0.2424009989129570

Pt 1.7735114267998613 1.1557668422956404 -0.8910282681171637

Pt 0.7110286830686740 -4.4829962454594945 3.0734002914291367

Pt -3.5458063583663497 -4.2591652244329836 1.6147832632868220

Pt -0.3823764273828857 1.6581573952587998 0.6450375075305963

Pt -3.2421796358529602 1.7279831801116734 2.7166898834203526
Pt 0.4818949025355922 -0.5575844485370244 2.7829741031571538

Pt 0.4266506822812118 -0.9988723845990669 0.1376168793838722

Pt -2.0608578690792503 -0.1185923082953161 4.2647338925346450

Pt -1.9386472559395029 -0.3101435765637126 1.4667599145769084

Pt 3.1715217448483268 3.8225878124307693 0.8005255357910466

Pt 2.9901223486743764 3.3335971928174426 -1.8220318728614633

Pt 2.1813555548350281 1.2953967653391902 4.5097350411200265
Pt 0.8174702324073598 3.8726006709613228 2.1191643799994955

Pt 0.8131557556975660 4.0677662373400461 -0.4890250917722946

Pt -0.3774999505729347 1.9944877834720731 -4.6545366036730673

Pt -1.1566196727486240 -3.0263830771534961 -1.1320816052154619

Pt -1.7639892425547878 3.6322392918959658 1.4889448028124259

Pt -0.7503893035891464 -2.5723155559658002 -3.7459035305801205

Pt 2.0920727288337209 -2.4281071360704547 -3.7841000377280252
Pt 2.1793277207809498 1.8406500614550174 -3.9634246373570390

679
Pt 0.4373714272010450 -0.4809646599945909 5.4115773141726207

Pt 0.5805091378386752 -0.4108305450351934 -5.0623128626091614

Pt -0.5187998248226474 1.8274898072382648 -2.0214773737220986

Pt 3.8908684093644799 3.0231331884028236 3.2820966184945410

Pt 3.3473946918687036 -0.3153514455072750 -4.7928265896274418
Pt -3.3337858315600943 1.8462918771446553 -0.0237727612735809

Pt 0.8335518041299336 -4.2514176777251045 -2.3841150263111257

Pt -3.2979024036934539 1.7011140525845379 -2.7083707807107094

Mo -4.4724085061283514 -0.2978074194312398 -1.5816739425076356

Mo 4.2038585012770877 1.5691602738490913 -0.1024486317947588

Mo 1.7071617525055185 -2.6633636862852224 1.5932244530483302

Mo -4.5908203479670826 -0.2597100349847003 3.7207482173482171
Mo -4.4974851586830473 -0.0937043035930569 1.2294319482524754

Mo -3.3379079472300668 -2.0352586387113250 2.8620492102817368

Mo 3.1299981811002850 -0.6468219189383727 0.5269569203180029

Mo 3.0567272247845039 -0.5097059921694039 -2.3194922294520275

Mo 1.6647706856314630 -2.3803912132020266 4.1645865432543898

Mo 4.7647546580298652 1.0406357763231211 2.0741766772702297

Mo -3.3632094626430376 -2.1768311123728292 0.2120030648968869
Mo 3.1046791585762885 -0.5925534995510385 3.1202751661381480

Mo -3.2454293517280171 -1.9353334821064483 -2.6052671485930574

Pt42 Mo13 configuration: ∆E tot = 19.46 eV

Pt -2.3305735954778237 -2.6888855630093818 -4.2302024885030987

Pt -1.1553113159556432 0.0511993269591731 -2.2020996182402062

Pt -2.7040109315827268 1.9580083779699338 -3.0084773839812575
Pt -0.3716687338105156 1.5148018384354585 -4.4780517041459715

680
Pt -2.4502220334177589 -0.0019407954101658 -4.8745798062785139

Pt -4.6230972615461088 0.1779459222258939 1.7093572489686977

Pt 0.5173372135828953 -0.8708551678933023 1.6934707838296337

Pt 1.0384785582058007 1.2913481528028476 -1.7316967139206059

Pt 2.4572947345616849 0.2189217001727253 0.2960031848645684
Pt -3.6628876262251642 -0.8515430157068995 -2.6771890345527494

Pt 4.9997106366195299 0.4752943242127877 -0.8561171664771365

Pt 2.5563453496361550 3.7471294610538846 0.8762131259524339

Pt 4.4161402089667101 -0.6418882391159164 -3.3478142200629000

Pt -1.9594680963696125 1.1994054473422737 -0.0091807115504556

Pt -4.1468759201610546 2.7902295011068157 0.9852406949702133

Pt 0.6273253839685431 4.1335629163850305 2.5727529482671425
Pt -0.1263511050768012 -1.2408291209169009 -4.2817838498719007

Pt 3.6454885506350836 1.8091061066274692 -2.6980626478706240

Pt 4.5585532432624198 3.2110867290083416 -0.6852585759540124

Pt -0.3737874292786883 3.4700321021980467 -2.5926728789047422

Pt 0.3931767726081942 1.7210587958663357 0.8587130352794907

Pt -1.9944562252004681 -0.1977013494289068 2.1995291788223286

Pt 3.8932680808700328 0.1628429129596698 3.6007056835835463
Pt -4.2038581146946221 -1.7918547215041614 -0.1379831962068809

Pt -1.3356482850130487 -0.4310560909096785 4.7143945184614591

Pt -3.1752734891659711 1.8748541235416500 3.3594878900960032

Pt -1.5675430178224277 -1.5036875537998535 -0.1187786218510098

Pt 2.2255400421608642 -2.2787560873057187 -3.3872784695328928

Pt -4.3469849298262044 0.9016562475275174 -0.8752803330665537

Pt 2.0026696876272556 0.3225379653393459 -4.1763938351033394
Pt 4.3829766434571056 1.7382186816700667 1.4623443156461451

681
Pt 2.1444778665852735 3.7624659658917907 -1.7030661271280525

Pt 0.0758183328167279 4.2227858500750823 -0.0663216343557608

Pt -2.3735947422573846 3.5572826145815966 -0.9240937978989223

Pt 1.2933399549578888 -0.0595732330586653 4.3391706285750580

Pt -1.7639625417725497 3.4633284478019628 1.7437005085572794
Pt 1.7578585034877217 2.9640201670537429 -4.1788447035353471

Pt -0.4448939714152798 1.8589044735567872 3.5085583417944730

Pt -0.1315189724341020 -3.4767868906494934 -2.6169328600010964

Pt 0.8356034053958230 -1.4076044959831282 -1.2018638449481316

Pt 2.2045590755838189 2.0717509015356486 2.9719681948507164

Pt -4.0381134217672257 -0.4548091513178931 4.4404253911880813

Mo 1.9699703817035297 -3.7016269724330177 -0.8438450993438782
Mo -1.0884906399189180 -4.2187026660286886 -0.1729592308343777

Mo 1.2096474011652134 -3.5227831105080774 1.4825738583024997

Mo -2.4974783174132069 -2.6802338670235089 4.4812473875233145

Mo -3.6684127024806314 -2.1914058791546212 2.5362187428443415

Mo -2.6128687379414526 -3.0740672260772413 -1.8057666054634958

Mo 4.3898807192987448 -1.0099334594093372 1.3608754696001661

Mo 3.8984077695801314 -3.2646783155903720 0.6084975215452773
Mo -3.2924557507856198 -4.2397912602014536 0.5065613720838309

Mo 2.5788145141408849 -2.0045357678491738 2.8337399733882922

Mo -1.3434224798686683 -2.8693404491249699 2.0613874064248563

Mo 0.2271589608418413 -2.4149251480116223 3.9340427984529636

Mo 3.4833883969597985 -1.5799834564797177 -1.2545850442888973

Pt42 Mo13 configuration: ∆E tot = 25.02 eV

Pt 0.0023442332053002 0.0000000000000010 -0.1267209268678144

682
Pt 0.0100899228890005 1.3881685321615593 2.2408157169744816

Pt -0.0679600495258633 1.4104855712317355 -2.2937416193716396

Pt 0.0100899228890005 -1.3881685321614057 2.2408157169744816

Pt -0.0679600495258633 -1.4104855712315769 -2.2937416193716396

Pt 1.4707358654278477 2.3129989198167151 -0.1301658651809425
Pt -1.2041993030360383 2.3395776326549136 0.0312010795997726

Pt 1.4707358654278477 -2.3129989198167076 -0.1301658651809425

Pt -1.2041993030360383 -2.3395776326549158 0.0312010795997726

Pt 2.2463320748925724 0.0000000000000010 1.4745167920166597

Pt 2.3105345159038171 0.0000000000000010 -1.3524001326672035

Pt -2.2149819388305625 0.0000000000000010 1.2698646293255160

Pt -2.2407453821501448 0.0000000000000010 -1.4368787269310428
Pt -4.4641949359114470 0.0000000000000010 -2.6841648081069684

Pt -0.1131474058174656 2.6983204343849678 -4.5138903423487600

Pt -0.1131474058174656 -2.6983204343849749 -4.5138903423487600

Pt -2.6495262934778214 4.4278110412869669 -0.0240950821900522

Pt -2.6495262934778214 -4.4278110412871259 -0.0240950821900522

Pt 4.5323995244613888 0.0000000000000010 -2.5897287640456628

Pt -4.3799211134165370 0.0000000000000010 2.6898657604369274
Pt 0.1851778222402570 4.7602055157346124 0.2094601945540647

Pt 0.1851778222402570 -4.7602055157346150 0.2094601945540647

Pt -4.6321922287287407 0.0000000000000010 0.0252131509487821

Pt -0.1203782624134898 0.0000000000000010 -4.6467578668260181

Pt -1.4171752932537169 -3.7411576422179436 2.3938290813687408

Pt 1.2950415619385296 -3.7788669628813403 -2.4184655030615967

Pt -1.5392895801157256 -3.7046237307538608 -2.4125132500936632
Pt 3.9463188516449068 -2.2781379529176315 -1.0644687515487397

683
Pt -3.6805117148601800 -2.2665693804411324 -1.3829310697100070

Pt -3.6396289352624041 -2.3123737141630252 1.4229308874297406

Pt 1.2950415619385296 3.7788669628813403 -2.4184655030615967

Pt -1.5392895801157256 3.7046237307538608 -2.4125132500936632

Pt -1.4171752932537169 3.7411576422179436 2.3938290813687408
Pt -2.4181196547027790 1.4060463033761759 -3.8089087842430156

Pt 2.2226646463865394 1.3879448423341636 -3.6950534224887197

Pt -2.4181196547027790 -1.4060463033761714 -3.8089087842430156

Pt 2.2226646463865394 -1.3879448423341663 -3.6950534224887197

Pt -3.6396289352624041 2.3123737141630252 1.4229308874297406

Pt -3.6805117148601800 2.2665693804411302 -1.3829310697100070

Pt -2.2661168159602747 -1.3902726878847773 3.7971336795196482
Pt -2.2661168159602747 1.3902726878847844 3.7971336795196482

Pt 3.9463188516449068 2.2781379529176244 -1.0644687515487397

Mo 0.2661594925830343 2.6585337467939065 4.4519565547304536

Mo 0.2661594925830343 -2.6585337467939136 4.4519565547304536

Mo 2.6251738282752344 4.4819579449813745 -0.5242058320129451

Mo 2.6251738282752344 -4.4819579449815290 -0.5242058320129451

Mo 4.6459587268325766 0.0000000000000010 2.4981874650091362
Mo 4.5950949347857204 0.0000000000000010 0.2828862389566982

Mo -0.1587725067411477 0.0000000000000010 4.4629970046738938

Mo 1.3901283340079631 -3.6240422917133484 2.2647995015745885

Mo 3.3535584115764090 -2.4567192161767379 1.6745246421487745

Mo 1.3901283340079631 3.6240422917133484 2.2647995015745885

Mo 2.1698874880978956 -1.3959240537377327 3.8483482763883656

Mo 2.1698874880978956 1.3959240537377349 3.8483482763883656
Mo 3.3535584115764090 2.4567192161767455 1.6745246421487745

684
 Pt49 Mo6 configuration: ∆E tot = 0.00 eV
Pt 2.0519015679845234 -2.5685251326017533 -2.2813690018360000

Pt 3.7868112911967193 1.2974151312558193 2.2784620325064089

Pt -4.4071291291503751 1.0798012846087539 3.3279497489171055
Pt -1.4559578458715876 -2.2330484731870257 4.7266283663895292

Pt 2.7907679982919769 -0.3646184566848361 -3.7228374836445099

Pt 4.0845350433776142 -1.1895492842795006 1.2438560725234529

Pt 0.3927839891412784 -0.3799295088478297 4.8225046030552150

Pt -0.1819291995078419 2.1786726306468971 4.0189169045187123

Pt -2.2157422815009493 -1.6923925016122763 -3.4469064975523769

Pt 2.4202798074214047 3.8331342735821829 -2.3075911343016244
Pt -0.9647535796928531 3.5023169423602143 1.7516688956296182

Pt -0.5077885101078990 2.9290987339193810 -5.1510965224504046

Pt -1.3277891270104520 -4.1281538829927742 0.2143250363250069

Pt -3.9197595512052832 -1.0077585067052113 -1.4159259753871203

Pt 2.7528609873906422 -0.9380832530830310 3.5466158069789206

Pt -3.9713693856943193 1.6880266245767133 -1.2284529877647430

Pt -0.9403052919743490 -1.3961101101604358 -0.2752949936727542
Pt -0.5116054331062475 -3.2572957604261181 -2.2314910747347900

Pt 3.9115614256637219 1.6082393076990427 -2.1619863510018753

Pt -3.4317406731848976 -2.5213023510379657 0.6559999746366472

Pt 2.2768626033791270 1.4855870234666517 4.3770944028184617

Pt 1.5422520727464617 2.7523339614906810 2.0940422994790739

Pt -1.8867208288428299 3.3539492818239802 -0.7322161367335462

Pt -3.0754828875986426 -1.3372270177180126 2.8886384972692776
Pt 0.7636891675258429 0.0336011609839077 -1.9815958249607204

685
Pt 1.1973543759530170 -4.3207047502614406 -0.4660037902256217

Pt -2.4259947706152776 2.7084749782969633 -3.2647689717968080

Pt -3.9030387163810127 0.4638561488803858 -3.6726941362719123

Pt -1.3990130768955069 0.4757115020977338 -4.6479249549809403

Pt -2.1495158781319228 0.4108390060522031 4.7674174208659013
Pt -3.1043536090655524 -3.5264184091669337 -1.7329905673617556

Pt -3.5366644920761470 2.7030988116393568 1.2120182814123879

Pt -2.4134953156617387 -4.0594982834787023 2.7063822201375829

Pt 0.6813980765527302 -0.0273357211320440 2.1553237663892877

Pt 3.6608649901709582 -3.3464712061004542 -0.2996108587513914

Pt 5.0823698351898958 1.0201900522680141 0.0523784924329716

Pt 0.9989099378058187 -2.8928055065769973 4.0774545752164677
Pt 2.7307841786077560 -3.2669451146083763 2.1995600894464902

Pt -0.3596437648140389 1.3115865299137532 0.0859396765732839

Pt -0.2187855188181017 4.0287526019161159 -2.6704656038346761

Pt 0.7961325881756395 3.8172262916358903 -0.2129946382865066

Pt -2.6265571597861541 2.9830645737710584 3.7722999314974466

Pt 0.4244275705432168 -4.6593031834734360 2.1229972342684520

Pt 4.0659565034822673 -0.9468438231408374 -1.4793330894156675
Pt 1.1000895092377481 0.6905752923679667 -5.5166725878622467

Pt -4.1627479874376894 0.0560954108738009 0.9486948292107249

Pt 3.2286047151923727 2.2957618470360805 -4.5797627310059328

Pt 0.3802612884415364 -1.5285515245301704 -4.0852347360774255

Pt 3.3297078482713536 3.0807438560394789 0.1327592374397831

Mo -0.6346381551993162 -2.3833742884179148 2.2093466034204483

Mo 1.0780487362998754 2.0575397156568265 -3.4413505891441010
Mo 1.5557099113474027 -1.9190694795074725 0.3829229026609283

686
Mo 2.5206573798433443 0.5793366422389208 0.0180617812355533

Mo -1.9779502444316543 0.9925349852461716 2.2730377570439142

Mo -1.8951109854716028 0.4737509273866020 -2.0567262012436047

Pt49 Mo6 configuration: ∆E tot = 0.99 eV

Pt -2.2749986089414103 -2.7661972371930323 -4.3552296361115133

Pt 1.9044874696573530 -4.0127081322988474 -1.1818498354213958

Pt -0.6698694126681963 -4.8746199866964668 -0.4279850621300518

Pt -0.9668229370117190 -0.0472973618150359 -1.6250728284840350

Pt -2.5019127504014897 2.2262379220798176 -2.4172102603108532

Pt -0.5357429847834956 1.5181941264637990 -4.0996743663463082

Pt -2.6678312276033775 -0.0770122465319745 -3.7014170310375039
Pt -4.3520660411077285 0.5337501100623172 1.2960798869967176

Pt -0.4356038833731919 0.0806162196728521 0.9249114647358093

Pt 2.1060647694146413 0.6543238011048529 0.0044192246460353

Pt 0.9100588293575078 -3.6160107904537999 1.2806585914390534

Pt -3.5783742602269539 -2.0933067583047738 -2.2487053248068238

Pt -2.3361341437310665 -2.4239352034617654 4.4976494673448055

Pt -4.1128797507959467 -3.0249830090868901 2.5355052179641140
Pt 4.6061283317233954 0.4030958855769653 -0.9193433946359993

Pt 2.8544098313063189 3.8340427081184689 0.9664217879224687

Pt 4.2269311420967215 -0.6816852481412730 -3.2943737931363297

Pt -4.0403296207670989 3.2905127405755916 1.2295552135369372

Pt -2.5921884386277583 -4.4843578175102499 -2.3026378405847088

Pt 1.0444674795371425 4.6151821256147656 2.7925757645579119

Pt -0.2336528981103276 -1.1483586553029668 -4.1331701311764562
Pt 4.6627178525170185 -1.1022976281350163 1.2674763359500212

687
Pt 3.6932724153591003 1.8886185213063100 -2.8661308930600558

Pt 4.7453141978458300 3.0638276964796503 -0.6952653531934606

Pt -0.2702893585640607 3.7189467033142933 -2.3632145103488118

Pt 3.7860936936439238 0.1672063436026916 3.4654531452420074

Pt 3.5590687200252331 -3.5687379830169217 0.9269820098243297
Pt -4.1882840567356707 -1.8344760133261750 0.2437533218579951

Pt -1.3459466816291910 0.0746115806009451 4.3822777410306859

Pt -2.8044454676777431 1.7840414202819688 3.0459113423424315

Pt 1.9822305064405907 -2.0147076377924265 -3.0104716537527012

Pt -3.9987849091675014 0.3179108472410219 -1.3118198101500780

Pt 1.8922501579308897 0.3737430592527404 -4.1716623256513650

Pt 4.2924655192062300 1.5926568015116829 1.4055807148327848
Pt -3.4273226742305991 -4.3739065911224859 0.2222586722551859

Pt 2.2159680825495283 -1.4657706856366801 1.9483356723946650

Pt -1.5875886139374593 -3.6188410080672702 1.9380827191897407

Pt -0.0295905511005024 -1.9781583562050222 3.2037465186226082

Pt 2.3552289276684495 3.8841151967181839 -1.6543886273795634

Pt 0.4134692201920767 4.4491445946045189 0.1175563944927994

Pt -2.1543644640050807 4.0419716955578293 -0.5754414680568710
Pt 1.1492325499070140 0.3583249399122506 3.5448346883163286

Pt -1.4370590030652259 3.6935561100301455 1.9333013459632304

Pt 1.6537753001109248 3.1316378337151072 -4.1677171480203974

Pt -0.3016020828508843 2.5218471891592267 3.9984668719728140

Pt -0.2168395228684754 -3.3416908389755164 -2.6421829054945651

Pt 3.8633570252113474 -2.1110302527098490 -1.1360772739713170

Pt 2.6703594060041538 2.5798479928392779 3.4002142336628034
Pt -4.1312174981596943 -0.4396620834586893 3.8396024980981722

688
Mo 1.2075752595410159 1.6420418101974070 -2.1188068798787554

Mo -2.3868823619064128 1.6504079521363908 0.1542697559543607

Mo 0.8053268753953289 2.3443644258042080 1.6779770778076659

Mo -2.3426327045850712 -1.1100861628309275 2.2689285254977301

Mo -1.6497536657563923 -2.5179057690740638 -0.5332519047616641
Mo 0.9707570117479929 -1.7070348963871547 -0.5596859465506293

Pt49 Mo6 configuration: ∆E tot = 2.26 eV

Pt -4.4102556967293545 -0.3520139913078424 -1.9959569546143698

Pt 4.2917018919536183 1.2575857418202787 -0.6073105484735337

Pt 2.2710490314926792 -3.0612216303393041 1.8539915615286577

Pt -1.9061598132108943 -4.4066784554830036 -0.6059900630577588
Pt 1.7717446192002619 1.0830711318590147 1.5471360714485047

Pt -1.2946479975920826 -2.3807117637987716 3.9797959311912323

Pt -0.7444724634314102 1.9864209706626639 3.4651035043789267

Pt 2.6159717653348591 -3.1159681733415283 -0.8503073842610136

Pt -2.1952586370949407 -0.2963151876192001 -3.7330325188798228

Pt -4.8831870367814538 0.0501711462925556 3.2758677387253230

Pt -4.3315315510649732 0.0245946344851120 0.6520490203841252
Pt -3.5403092625721828 -2.0786881008520766 2.6213163581140990

Pt 0.4163152285017699 3.9379780756651002 -2.7037465287562399

Pt -2.1765923619505858 4.2269462503534214 -3.2992863755312229

Pt 4.0608197024164490 1.4344859459705930 -3.2259034042219796

Pt -1.4693437749256790 4.2138762841675259 -0.8120242703401161

Pt 0.6033948963725604 -4.4201266709906406 0.2735432184472433

Pt 1.7161614300052830 1.1708572404790942 -1.0928031890987158
Pt 0.0358585921621110 -4.3142567498114488 2.7936530759595386

689
Pt -2.5869487693134263 -4.5004659296447187 2.0677004418601812

Pt 3.8702526114634983 -1.1612519303021998 0.6014603407652845

Pt 3.5180456642732727 -0.9280285770880994 -2.1088610650042328

Pt -3.3253356457053544 1.9891715569427362 2.5498341909614015

Pt 1.4045329611727735 -2.5590470160714034 4.4470069398461041
Pt -2.4369952971607520 0.0133705204206365 4.2182581946029236

Pt -1.5893308057164748 0.0147929646738731 1.5943525420135518

Pt 4.4301360752774563 1.0716169020925719 1.9921657006341167

Pt 3.2844527710325733 3.3472332591405944 0.7988088609689317

Pt 2.9122350125349183 3.3946926936853572 -1.8272689295295081

Pt 1.8636590193419065 1.5367546365304179 4.0993828550762279

Pt 1.0180542942679829 3.7214635431182757 2.4231354839502175
Pt 1.0776516862027674 4.3043201151188981 -0.1655855239353472

Pt -1.0272498447119065 2.1690182336113537 -4.4354649819746594

Pt -0.4073720193133457 -2.1582722011480371 -1.2617279762372946

Pt -1.6352022353679447 3.8957620870805982 1.8155296502625013

Pt -0.5436908862709120 -2.4237210935407774 -4.0080278699549421

Pt -3.6694078789820739 -2.4829893328827808 0.0191349072040612

Pt 3.1364718048800992 -0.8638727469002703 3.2461491215419032
Pt 2.0939091642089207 -2.7867805130313883 -3.4647368698693399

Pt 1.5652171499812788 1.8490628902486890 -3.8686085792057825

Pt 0.0783737211957025 -0.1404755909019428 4.8985671059291027

Pt 0.0526875628754759 -0.0927654793624555 -5.1727777198680922

Pt -0.7463112549474746 1.4794874744030437 -1.8430635060038854

Pt 3.6354210970973893 3.2005697645897442 3.3349872234720110

Pt 2.7655506247947406 -0.4639692472559176 -4.6678331274678140
Pt -2.9748500300913210 2.1951269836494447 -0.0563952676107236

690
Pt -2.7937954652929053 -2.5587846549292124 -2.4641482913481227

Pt 0.3236474377605956 -4.4033025511536010 -2.3674909593507452

Pt -3.2908173558061011 1.9515969618594369 -2.7039317848419828

Mo 0.9578161063894126 -0.5589422564898001 -2.9027311043230939

Mo -2.2073188022593686 -0.3473552700615272 -0.9428745776188650
Mo -1.2307215527880717 -2.6136898189410971 1.2222235299783353

Mo -0.3144032127157632 2.1612533169735002 0.6523864080404127

Mo 1.3399818507328374 -1.1123823392194794 0.1538160679617433

Mo 0.6203958788735631 -1.0992040534260070 2.5905333261325398

Pt49 Mo6 configuration: ∆E tot = 3.75 eV

Pt -2.5912874813273499 -2.5668342622206799 -4.2949156588549871
Pt 1.6341333442074917 -3.7418205005231933 -1.0800179822993037

Pt -0.8402377371283103 -4.4177578071568169 -0.3343645428202408

Pt -0.5604096449692497 -1.0034693121390297 -1.9019381902512691

Pt -2.7972158836097880 1.9197284791148590 -2.9515362053253105

Pt -0.5764041110730076 1.4924420938355709 -4.4174105922547593

Pt -2.6528350989084646 0.0211786983666336 -4.8252840469617055

Pt -4.3063578755492040 0.1167895980621122 1.6706164677937008
Pt -4.1245095838631238 -2.4545319282573237 2.3881116599121448

Pt 4.8394122739704351 0.3708368559303724 -0.9836142940593409

Pt 2.4776991219376749 4.0002111547518435 0.8693498647532865

Pt 4.1508855228098325 -0.6925159723467810 -3.2684846776455951

Pt -1.4384023875348615 1.1908425589640639 -0.8180833102721128

Pt -4.1832283193157798 2.6994050945329793 1.2477588129309438

Pt -2.8666139296627624 -3.4458864683011932 -1.9342205288563752
Pt 0.5883992783219856 4.3393832021137868 2.6015345637474399

691
Pt -0.2522678869366082 -1.2422207189126082 -4.5082594521767216

Pt 3.9640037389464760 -0.9598207332979961 1.2006143862730740

Pt 3.5545226713485722 1.8669455644650383 -2.7771467137079044

Pt 4.4111950657732333 3.0866701546409163 -0.5885705427269221

Pt -0.5693893168767830 3.4703113226439379 -2.4577937851461988
Pt 0.3514320933252470 1.9430401308104259 0.9040231457681507

Pt -1.5930840929021235 0.2616933910774098 1.7257220214648086

Pt 3.8219000899863027 0.2149243698564270 3.5281083651128418

Pt 3.3200831997003797 -3.6127788511857566 0.9934478426023163

Pt -3.9638982561301934 -1.6867264081966260 -0.2734083010864221

Pt -1.4137695253804421 -0.2177903763217230 4.4227531103294027

Pt -2.9945727639795372 1.7650283503704729 3.4432159671542362
Pt -1.2698670037611142 -1.9191771930251105 0.4184571062976390

Pt 1.9286100807581468 -2.0784920127529287 -3.1544005220680198

Pt -4.0966208221126212 0.8936919373749711 -0.8139669535967424

Pt 1.8244249046063992 0.3512620187980569 -4.1264205500480848

Pt 5.0486644689081697 1.4789019600171089 1.4871927949654122

Pt -3.4802962917562854 -4.1782551968921435 0.4831143366843931

Pt 2.5206148519507590 -2.1743039191645055 3.1013637693186888
Pt -1.5878611697859726 -3.7993631301952444 2.2703297410948737

Pt -0.0042870454882576 -2.3948882230264426 3.8466181195366063

Pt 2.0291112881806996 3.8964414606718751 -1.7036099736714367

Pt -0.0789288705566118 4.4127776135943240 -0.0086223947821024

Pt -2.5620680885678815 3.4794384572529058 -0.6986170347059188

Pt 1.2248032890961094 -0.0136366725749090 4.1347779289459581

Pt -1.8302594755060597 3.5814282635832067 1.8835187888670302
Pt 1.4980212547076817 2.9685015758478666 -4.0815385720945070

692
Pt -0.3383649367821494 2.1046843979790189 3.6492371857689667

Pt -0.3239260480054449 -3.4355814047362929 -2.8502426880994722

Pt 3.9833694667709745 -2.2945633046530602 -1.1920662660622556

Pt 1.8398410344804277 -0.7902491444296341 -0.7314992083764367

Pt 2.2794887251698865 2.1824087968327111 2.8630117047302468
Pt -4.0642365494371040 -0.5812569168187219 4.2760726933279729

Mo 0.8001873308173213 -0.7321117980059454 1.6529520903108958

Mo 1.0755712798299859 1.4764716364764947 -1.8186931526175003

Mo 2.7737227477998063 1.3622462456071607 0.3775688316389497

Mo 0.8257531943202066 -3.2150046102325058 1.3357233814968248

Mo -2.8988354227481055 -0.7761344524974393 -2.4582326660240468

Mo -2.5058146980690088 -2.5225140657079441 4.2777641257648833

Pt49 Mo6 configuration: ∆E tot = 5.50 eV

Pt 0.6845648224090657 4.1901749803725945 2.5769167845102081

Pt -0.0794340880795818 -1.3735343183551350 -4.6660094449974121

Pt -2.3847382976718321 -2.7058431857038214 4.5340965798958184

Pt 0.6723347033479954 -0.7785866818370207 1.5963605840555770

Pt 0.1874562358384495 1.7772560142125173 0.8492384799515545
Pt -1.3944859278559694 -1.6179491187404351 -0.0180146665593784

Pt 1.1387112841998672 -1.0267762667236666 -0.9843633692446875

Pt -2.4380608733524283 -2.6083736585893518 -4.2740023616653229

Pt 1.7089815498640757 -3.7580799829923506 -1.0482082180374421

Pt -0.8084239672865738 -4.2380407057042593 -0.3150098316915804

Pt -1.0190563356885480 -0.3586525703202254 -2.3768533447601472

Pt -2.7769064824202885 1.8581434770660423 -2.9064993289221350
Pt -0.4785212442145922 1.3880077673554099 -4.3750787977362915

693
Pt -2.4857216970981297 -0.0849942033286849 -4.9333688526127002

Pt -4.4749611553018429 0.1708280755182218 1.7501485566705695

Pt 1.0636116440547270 -3.5732034398287680 1.5379269207605146

Pt -3.6936339942460861 -0.7916566356149074 -2.7044933378166691

Pt -3.9073539925146306 -2.3451715956423071 2.3854212277365603
Pt 2.5855246870769224 3.5754146502317696 0.8469335693724273

Pt 4.3696265383646349 -0.7409109294121036 -3.0581040648489166

Pt -4.1652552773256577 2.7435279169135414 1.2678958149313411

Pt -2.8843922402060698 -3.2866774771182405 -1.8787168576785946

Pt 3.6681894659410932 1.8260361199370920 -2.8453919226899105

Pt 4.5787633139408470 3.1531753626511034 -0.7206851019464980

Pt -0.5216677665589931 3.2823967332210544 -2.4372165658485843
Pt -1.8938429271808577 0.2002438848044564 1.7682289052945945

Pt 3.9178118168884413 0.2277146007349190 3.6611698407842850

Pt 3.6747398796720421 -3.3892491487596401 0.9015745849201576

Pt -4.1317102135534487 -1.6379887149126175 -0.1973551952529507

Pt -1.3547271310397537 -0.2437815987258402 4.4241814400566923

Pt -2.9484454234695376 1.7985788382590671 3.5191450448100361

Pt 2.0791972836236101 -2.1868771865559693 -3.2310585938295562
Pt -4.2045112816854999 0.9423012978816759 -0.7482285377611905

Pt 2.0134563764505304 0.2466772628660495 -4.2494540910860206

Pt 4.7614151114374419 1.7986034000945268 1.6258695864112438

Pt -3.4043134892099558 -4.0949202867712362 0.4994613482149103

Pt 2.6865149952001945 -2.0485914958691125 2.9798553898099867

Pt -1.4987001744119670 -3.3760300333626048 2.1066709524234879

Pt 0.1467431976847380 -2.4668171874949905 3.8755748046019560
Pt 2.0699028050985917 3.7541919714699845 -1.7056583204628000

694
Pt 0.0316282725022135 4.2280390016847686 -0.0065071668333561

Pt -2.4818726329947665 3.4586592513606633 -0.6635625414246792

Pt 1.2674989687974787 -0.0786126357985294 4.1183024297171631

Pt -1.8022430042253905 3.5890280651048472 1.9286331898681561

Pt 1.5820823861898774 2.9649929526026626 -4.1863428248639973
Pt -0.2997634610167114 2.0171578004395827 3.6600086441061896

Pt -0.3102347440644752 -3.1835383109229638 -2.6811913219461134

Pt 2.2824190112147495 2.1215667480654390 3.0011816609921360

Pt -3.9743318022116667 -0.5477593014565455 4.2700829957554181

Mo 2.6177883539542353 0.7901133943194397 0.4802191684417236

Mo -1.7111536467279382 1.0817849188140003 -0.5725464287767156

Mo 3.4970121095866307 -1.7259564003091383 -0.9321418550164796
Mo 1.1921832383315050 1.3524257766164056 -2.0438975292053216

Mo 4.3367329413303377 -0.8741336721304064 1.4005276963868480

Mo 4.7135722786128991 0.6056664803830417 -0.8056657269641053

Pt49 Mo6 configuration: ∆E tot = 6.79 eV

Pt -0.2662025055886533 1.5526161930342268 2.0814196537974521

Pt -0.5613668419447436 1.5368263855665627 -2.0369151117937241
Pt -0.1176607817962417 -1.2054993848008120 2.2152674571593440

Pt -0.2014881933840232 -1.1952135934465005 -2.2327677619355741

Pt 1.1848934319349071 2.3167295034843667 -0.0875936412683018

Pt 1.2148985455842247 -2.1691285596609999 0.0064666204169639

Pt -1.6084599428691868 -2.0212422078392747 -0.0046080122267697

Pt 2.1055193163784280 0.1028130831461454 1.3489092131117308

Pt 2.0675039931798711 0.0120905982970252 -1.3837778247068326
Pt -4.6067302809981117 -0.3919043615759203 -2.9523589765787865

695
Pt 0.1193994139909450 2.6173936234530775 4.3981969211884930

Pt 0.0440819607975677 2.6074315534389774 -4.2758587758293389

Pt 0.0232253417948224 -2.7960319201389483 4.3549910232614657

Pt 0.1229782499652991 -2.8131129095426024 -4.2943598626772781

Pt 2.8223287400394335 4.3954178995741424 0.0448229052931733
Pt -2.3419127537577160 5.1559538467928521 0.1418147418737262

Pt 2.8674264269012526 -4.3474170394490335 0.1011123949221633

Pt -4.7213511251198419 -0.3899756028817591 -0.1757888519682857

Pt 4.4212864871242070 -0.1353831444352964 2.6719872167960124

Pt 4.4107932691852421 -0.0188963649251554 -2.6766831851272990

Pt -4.3058414260712139 -0.1295389583551365 2.6428358149124707

Pt -3.4731652579506487 2.6540971524075276 1.8611617581582538
Pt 0.0760462350776791 -4.6359050716532622 0.0144014235374404

Pt 4.6114997580328492 -0.0647594589852083 -0.0096441478793451

Pt 0.1045074850437523 -0.0683778726336845 -4.5800734600717368

Pt 0.1050412408222420 -0.0754568741510113 4.6062693445682639

Pt 1.4787378520582697 -3.7452830143102931 2.3108849029779277

Pt -1.3540157965031610 -3.7631574024608812 2.2060298792993227

Pt 1.5425891618514351 -3.6819320604517856 -2.2008830211091790
Pt -1.3066667060088439 -3.8011840326485693 -2.1881490373508705

Pt 3.8233603467520054 -2.2911108774033995 -1.3457318794928621

Pt -3.5932942365508711 2.1630975453747086 -1.4602877452758898

Pt -3.7290914402240936 -2.6529738128455636 -1.4747541479287636

Pt -3.7079474454172288 -2.5269339058775540 1.4118497974529602

Pt 1.4900306978405291 3.7806246892235666 -2.2947250070469014

Pt 1.5478634345406341 3.7129377694289820 2.3401937829520887
Pt -1.1948209778590877 4.1364788094691125 -2.0951728345578551

696
Pt -1.1220267487991149 4.1056995004408536 2.3290445320960909

Pt -2.3457689536928945 1.0489921306698096 -3.9532060132960796

Pt 2.2944551669675848 1.3588540095460109 -3.6227375207960599

Pt -2.3590569762429756 -1.7529176620714704 -3.7744443021142340

Pt 2.3405767550537031 -1.4738548578143222 -3.6504569762305668
Pt -2.4426903581132398 0.3524256369149801 0.9552974948045969

Pt -2.2656685241396208 -1.5508671413855752 3.6372132085942011

Pt 2.3629792735888144 -1.5862561397163411 3.6708148638302140

Pt 2.3189331967320341 1.2714510196433018 3.7195820059733071

Pt -2.2170375464928580 1.1882438603938106 3.8052138804374147

Pt 3.6909943849934956 2.2392745788536965 -1.3809489848777885

Pt 3.7273669595059560 2.2322305939347009 1.4190444104023860
Mo -0.0526958040330826 0.0768767518437692 0.0128435953425721

Mo -1.6453351501276943 2.7359986733499801 0.0946770909435271

Mo -2.5665484129693081 -0.1568622020500633 -1.6596736420448244

Mo 0.2075459736877868 4.6314007185015118 0.0828530378650088

Mo -2.4357033480775052 -4.4458044843724194 0.0335790268952073

Mo 3.4156844353069897 -2.0989752089008604 1.2928227253213735

Pt49 Mo6 configuration: ∆E tot = 8.86 eV

Pt -2.3790336418249325 -2.5034216589667233 -4.2795489490617502

Pt 1.7256575959709208 -3.7004918578730539 -0.8993456942421882

Pt -0.8356659080576023 -4.1235026754397435 -0.1555236888797802

Pt -1.2034758285648948 -0.1838069703853612 -2.2906114823298251

Pt -2.7802049528388348 1.8387768673095539 -2.9801379971700563

Pt -0.3629521464014525 1.4862799731323237 -4.3927793840158742
Pt -4.9337629363256665 0.2901655373203728 1.6271750186470406

697
Pt 0.8331968994763008 -0.7882004173417038 1.2814575118003544

Pt 0.8528586885261384 1.4259272838490342 -1.7731647425039048

Pt 2.6227326791300127 0.5191894749107809 -0.0804871396415423

Pt 1.0452966992767190 -3.4728954355010275 1.6696720868868173

Pt -3.8376369801289743 -0.7628878195097714 -2.7473053822783235
Pt -2.4249251793824769 -2.5633843617876142 4.5207419562667255

Pt 5.0865381080762351 0.5458108654546864 -0.9078362456607734

Pt 2.4127974048159926 3.5876729996997141 0.8720826155779902

Pt 4.3807012734214839 -0.6535800589217883 -3.2718236792498026

Pt -2.0522646738043546 1.0383279154463532 -0.0919363180766497

Pt -2.8238974017479110 -3.1245145345986400 -1.7707008910493596

Pt 0.5953662275966007 4.2966711439538372 2.6110804787981494
Pt -0.0215341166659935 -1.2270454758181981 -4.5644971821574236

Pt 4.2868026972231723 -0.9959395107176144 1.3939888905544904

Pt 3.9280164693566477 1.9665739114438079 -2.9260123674953564

Pt -0.5443691323540538 3.5391518087939833 -2.6401772705805864

Pt 0.3431487672215300 1.7811197255187787 0.7845616671133471

Pt -1.5026622337031490 0.0173146566453822 2.2369379535918843

Pt 3.7432945608863246 0.1582912911964373 3.7560049472363004
Pt -4.3785072072391387 -1.6010545562077652 -0.1195239203437548

Pt -1.0637832909886311 -0.2820997226334493 4.7646249363503461

Pt -3.1364121919842356 1.6423561748056748 3.3533023419934773

Pt -1.4427252017154755 -1.5704102427582116 0.0366908045717509

Pt 2.2844123867295130 -2.3196323549489644 -3.4214403591125140

Pt -4.5209333429164040 1.0695494452940157 -0.9180912656290501

Pt 2.0669746659858674 0.3046923266632094 -3.9871123789739737
Pt 4.2883507824898093 1.7421150165232699 1.5615897447571438

698
Pt -3.4039997000657225 -3.9581756121510803 0.6601941144080716

Pt 2.8498334469861351 -2.3300201459858982 3.2638075113939662

Pt -1.4521782501678488 -3.8323113119751073 2.4569134374260369

Pt 0.3139095917756768 -2.5121568889078638 4.0913199444219650

Pt 2.1145831909532209 3.7341661887116224 -1.7489999711410562
Pt -0.0340524501413782 4.2345342220255997 -0.0917376206415830

Pt -2.5770272679112987 3.4998703058871850 -0.8365282910665701

Pt -1.7628696214784438 3.4154997952551249 1.8204827131835113

Pt 1.7728602110227976 2.9541044972313899 -4.2350157912290038

Pt -0.3330322103197910 2.0481608956878676 3.7044751659624962

Pt -0.2373892555708202 -3.1425122398407535 -2.6385741877959079

Pt 3.8136281512677845 -1.9614547262333519 -1.0768907604963263
Pt 1.0628719206100239 -1.1938508998803488 -1.3608342337410575

Pt 2.2695614452658193 2.2791818724472335 3.2828476059863916

Pt -4.2812258337640303 -0.6919664940223612 4.0193010878183557

Mo -2.2845420420119034 -0.0488648650224391 -4.6233552283271413

Mo -3.0861986128484133 -1.8523346646433350 2.1278950184974774

Mo -3.9267980810963907 2.4869986952429755 1.1055671196356895

Mo 4.2626896556465859 2.9396110534115270 -0.6789822458366699
Mo 3.4521276744955074 -3.3184879992291201 0.9618001570741657

Mo 1.2158484978134005 -0.1271104425604475 3.5444598387738657

Pt49 Mo6 configuration: ∆E tot = 11.66 eV

Pt -3.8896722682294804 0.2381015565003822 -1.0008733179749170

Pt 4.2774964759554370 1.3936809275803057 -0.3805938627569203

Pt 2.0638457081552906 -3.1390458348917605 1.3257522418432968
Pt 1.5036032559315746 1.6182349629818304 1.4623683715039322

699
Pt -1.4930066375733926 -2.4724911715113933 3.7948808202207616

Pt 0.5860375997119238 -0.3259519158745831 -2.7350174642176013

Pt -0.6025505713526282 2.0169121710588485 3.9390831505746675

Pt 2.8461857507950530 -3.1570884361686353 -1.2426748342363352

Pt -1.1539796523650434 -0.3959729148317449 -0.7702512816312276
Pt -2.2288926938136964 -2.0933456020546686 -4.4558589651521414

Pt -0.7456364824519195 -2.4426836778834513 0.8141055145406070

Pt -4.8721258020906699 0.5803481971886840 4.1832579575250364

Pt -4.7273337027603244 0.4603474141703715 1.5502212892846570

Pt -4.0695997793370164 -1.8122670691813738 3.1801671696188478

Pt -0.1956692536468463 3.8377841959207757 -2.0896719142305313

Pt -1.2628571723834252 2.5883227120733920 -4.1719136706409428
Pt 3.7919547969403258 1.8534712132260722 -2.9286907846836483

Pt -2.0002836771003611 4.6446587500627174 -0.2923174317379517

Pt 0.3624464322399152 -4.3471479487358806 -0.6389276441439432

Pt 1.7280410594282873 1.3906193455999016 -1.0290050521124909

Pt -0.3016400892759119 -4.5736159152444884 2.2123824636371481

Pt -0.5700149131342780 2.0813672108489669 -0.0811583927322158

Pt 3.7967796997981713 -1.0957670867029918 0.6249560909059894
Pt 3.7333282032677975 -0.6768354522417893 -2.0018976523261882

Pt -3.1946698348344338 2.3854064140512037 3.2833495575938159

Pt 0.6547704114188182 -0.6654198489676587 2.1820297753782727

Pt 1.3791988664755426 -1.0972394366413738 -0.3441107660572795

Pt 1.0943464401368097 -2.9083356951314414 3.8012708178766488

Pt -2.3418577427343532 -0.0043772201578632 4.2898082093940317

Pt -1.6082062792735368 0.5346173730572020 1.7794075104357814
Pt 3.9646574563695882 1.0483867666174547 2.1731879909661345

700
Pt 3.1299208647327879 3.6206013141583071 0.9419430853810790

Pt 2.4298729792139344 3.7621189182063688 -1.5888642945952922

Pt 2.0180395217237592 1.3082613854008116 4.1174712422388424

Pt 1.1713705604570865 3.7862396116375265 2.9617549731888957

Pt 0.6790023750269036 4.5304428387471489 0.3314669540954254
Pt -0.2340587973236179 0.3706773173875889 -5.0788394131305337

Pt -1.2976571260530303 -4.1277285161657034 -2.7819659492980788

Pt -1.2800664611999846 3.6829841623189168 2.0373663047906874

Pt 2.9719182330827980 -1.1795310597858304 3.1674451582945622

Pt 2.8575967696719520 -2.5167557683515440 -3.7963079672208222

Pt 1.2956768616082943 2.3448875582436131 -3.6732523291397809

Pt 0.1879913134939049 -0.4937807455732325 4.6792993610255067
Pt 1.2978098845105084 -1.6483747931209507 -5.9354911953307505

Pt -2.3690079474229488 0.2935503138411663 -3.2708748635023097

Pt 3.6925068922225597 3.2740928782056784 3.5004691052043952

Pt 2.5840992284311088 0.0872571413338507 -4.4226681334539348

Pt -3.3738635627323159 2.5012577865441443 0.6012156706774688

Pt -2.5535699560714615 2.5095065519093964 -1.8704052802637632

Mo -2.6149728447307350 -3.8193113199347977 -0.4475443223122779
Mo -2.7594433931177687 -3.6767041464991905 1.9057348434031476

Mo 0.2038868998311419 -2.4074555171213348 -3.8769124435826781

Mo -3.1417531431906323 -1.3570900800746557 0.8836854827285899

Mo -2.7810406646070529 -1.9778760534923805 -1.9075225916036898

Mo 1.3610459081755923 -4.3319437625319068 -2.9104692942599781

Pt49 Mo6 configuration: ∆E tot = 13.47 eV

Pt 0.0000000000000005 0.0000000000000006 0.0000000000000003

701
Pt 0.0000000000000005 1.4493899374719692 2.2294501896415211

Pt 0.0000000000000005 1.4493899374719692 -2.2294501896415202

Pt 0.0000000000000005 -1.4493899374718164 2.2294501896415211

Pt 0.0000000000000005 -1.4493899374718164 -2.2294501896415202

Pt 1.4493899374719690 2.2294501896415211 0.0000000000000003
Pt -1.4493899374718167 2.2294501896415211 0.0000000000000003

Pt 1.4493899374719690 -2.2294501896415202 0.0000000000000003

Pt -1.4493899374718167 -2.2294501896415202 0.0000000000000003

Pt 2.2294501896415211 0.0000000000000006 1.4493899374719690

Pt 2.2294501896415211 0.0000000000000006 -1.4493899374718118

Pt -2.2294501896415202 0.0000000000000006 1.4493899374719690

Pt -2.2294501896415202 0.0000000000000006 -1.4493899374718167
Pt -4.5385325036437152 0.0000000000000006 -2.6173738221810088

Pt 0.0000000000000005 2.6173738221810146 4.5385325036435500

Pt 0.0000000000000005 2.6173738221810146 -4.5385325036437161

Pt 0.0000000000000005 -2.6173738221810088 4.5385325036435500

Pt 0.0000000000000005 -2.6173738221810088 -4.5385325036437161

Pt 2.6173738221810146 4.5385325036435509 0.0000000000000003

Pt -2.6173738221810088 4.5385325036435509 0.0000000000000003
Pt 2.6173738221810146 -4.5385325036437152 0.0000000000000003

Pt -2.6173738221810088 -4.5385325036437196 0.0000000000000003

Pt 4.5385325036435509 0.0000000000000006 2.6173738221810146

Pt 4.5385325036435509 0.0000000000000006 -2.6173738221810088

Pt -4.5385325036437152 0.0000000000000006 2.6173738221810146

Pt 1.4110429400728857 -3.7893095745804484 2.3142145979729780

Pt -1.4110429400728872 -3.7893095745804484 2.3142145979729780
Pt 1.4110429400728857 -3.7893095745804484 -2.3142145979729771

702
Pt -1.4110429400728872 -3.7893095745804484 -2.3142145979729771

Pt 3.7893095745804493 -2.3142145979729771 -1.4110429400728872

Pt 3.7893095745804493 -2.3142145979729771 1.4110429400728854

Pt -3.7893095745804484 -2.3142145979729771 -1.4110429400728872

Pt -3.7893095745804484 -2.3142145979729771 1.4110429400728854
Pt 1.4110429400728857 3.7893095745804493 -2.3142145979729771

Pt 1.4110429400728857 3.7893095745804493 2.3142145979729780

Pt -1.4110429400728872 3.7893095745804493 -2.3142145979729771

Pt -1.4110429400728872 3.7893095745804493 2.3142145979729780

Pt -2.3142145979729771 1.4110429400728859 -3.7893095745804484

Pt 2.3142145979729780 1.4110429400728859 -3.7893095745804484

Pt -2.3142145979729771 -1.4110429400728870 -3.7893095745804484
Pt 2.3142145979729780 -1.4110429400728870 -3.7893095745804484

Pt -3.7893095745804484 2.3142145979729780 1.4110429400728854

Pt -3.7893095745804484 2.3142145979729780 -1.4110429400728872

Pt -2.3142145979729771 -1.4110429400728870 3.7893095745804493

Pt 2.3142145979729780 -1.4110429400728870 3.7893095745804493

Pt 2.3142145979729780 1.4110429400728859 3.7893095745804493

Pt -2.3142145979729771 1.4110429400728859 3.7893095745804493
Pt 3.7893095745804493 2.3142145979729780 -1.4110429400728872

Pt 3.7893095745804493 2.3142145979729780 1.4110429400728854

Mo 0.0000000000000005 4.3180908805389846 0.0000000000000003

Mo 0.0000000000000005 -4.3180908805389828 0.0000000000000003

Mo -4.3180908805389828 0.0000000000000006 0.0000000000000003

Mo 4.3180908805389846 0.0000000000000006 0.0000000000000003

Mo 0.0000000000000005 0.0000000000000006 -4.3180908805389837
Mo 0.0000000000000005 0.0000000000000006 4.3180908805389846

703
 Pt49 Mo6 configuration: ∆E tot = 16.51 eV
Pt -1.3856915755441064 2.1946802205260165 0.0000000000000003

Pt 1.5553582484470503 -2.1473031348917297 0.0000000000000003

Pt 2.2301292350146991 0.1722371744531307 1.4046661607129731
Pt 2.2301292350146991 0.1722371744531307 -1.4046661607129678

Pt -2.2199480491065495 -0.1648348643769796 1.3598085933761435

Pt -2.2199480491065495 -0.1648348643769796 -1.3598085933761503

Pt 0.0050490573383881 -0.0652283676517337 0.0000000000000003

Pt -0.0398827175342962 1.3950290623180783 2.2425581191546144

Pt -0.0398827175342962 1.3950290623180783 -2.2425581191546060

Pt 0.0697562745879445 -1.4595486838793026 2.1729379346049638
Pt 0.0697562745879445 -1.4595486838793026 -2.1729379346049651

Pt 1.3247511614932690 2.3638021407947498 0.0000000000000003

Pt -1.2562659771946196 -2.4073340217008679 0.0000000000000003

Pt -4.3807115054326511 0.0009791783121861 -2.6974117302411966

Pt 0.0095216467782704 2.7516291101466930 4.4711260240042758

Pt 0.0095216467782704 2.7516291101466930 -4.4711260240042705

Pt -0.0426521834880685 -2.7308172005921909 4.3494902511980520
Pt -0.0426521834880685 -2.7308172005921909 -4.3494902511980520

Pt -2.7126028757873044 4.4471864654274453 0.0000000000000003

Pt 2.6796728672505621 -4.3873148375070334 0.0000000000000003

Pt -2.7710803428114099 -4.4360602927678832 0.0000000000000003

Pt 4.4259174057657127 0.0671002028721793 2.7275369904606297

Pt 4.4259174057657127 0.0671002028721793 -2.7275369904606337

Pt -4.3807115054326511 0.0009791783121861 2.6974117302411975
Pt -0.0194919554245303 -4.6777563491473222 0.0000000000000003

704
Pt -4.6078654285558773 0.0560862150465070 0.0000000000000003

Pt 4.5686811945847534 0.0492778356439686 0.0000000000000003

Pt -0.0076808774141098 -0.0140976885862173 -4.5659383082575609

Pt -0.0076808774141098 -0.0140976885862173 4.5659383082575662

Pt 1.4016144806930513 -3.8066653913511708 2.3152123968581391
Pt -1.5427728911425527 -3.7510645063610899 2.3296084601717855

Pt 1.4016144806930513 -3.8066653913511708 -2.3152123968581479

Pt -1.5427728911425527 -3.7510645063610899 -2.3296084601717895

Pt 3.7014424137889037 -2.2911300125596705 -1.4697316879250921

Pt 3.7014424137889037 -2.2911300125596705 1.4697316879250828

Pt -3.7895687382708507 -2.3385234978821585 -1.3844575410204170

Pt -3.7895687382708507 -2.3385234978821585 1.3844575410204247
Pt -1.2341414745077770 3.9317737919034306 -2.2990551946760291

Pt -1.2341414745077770 3.9317737919034306 2.2990551946760323

Pt -2.3118807418696052 1.4299249108202117 -3.6892186870899750

Pt 2.3782076431655148 1.5045417900594318 -3.8597880811409717

Pt -2.3159001586662340 -1.4113381676155072 -3.7591361697178560

Pt 2.2646948782357859 -1.4020219570430899 -3.7176631189430980

Pt -3.6540411994671533 2.2874819892187244 1.4434413291274226
Pt -3.6540411994671533 2.2874819892187244 -1.4434413291274197

Pt -2.3159001586662340 -1.4113381676155072 3.7591361697178569

Pt 2.2646948782357859 -1.4020219570430899 3.7176631189430913

Pt 2.3782076431655148 1.5045417900594318 3.8597880811409579

Pt -2.3118807418696052 1.4299249108202117 3.6892186870899786

Mo 3.0046164970227012 4.3474011666644987 0.0000000000000003

Mo -0.1560966975903358 4.4518308628603700 0.0000000000000003
Mo 1.4491971525724083 3.5009136527017213 -2.3946044248396907

705
Mo 1.4491971525724083 3.5009136527017213 2.3946044248396938

Mo 3.4941823196832873 2.4337971557930973 -1.4988537234739623

Mo 3.4941823196832873 2.4337971557930973 1.4988537234739603

Tc55 configuration: ∆E tot = −0.15 eV

Tc 1.0883595973653257 1.4360406185735961 0.8820933948554703

Tc -3.2459545789970026 -2.6649673377778988 -0.0696357730192680

Tc 0.9931975139653133 -2.5472027698996946 3.3073742027572202

Tc -3.3570526645837138 1.2868440530251171 2.2425457570615812

Tc 1.2588393157737823 -0.0458296801787377 -1.4189361916291094

Tc 0.9208083331265993 0.0887909431917144 3.3552920020477934

Tc 1.0054749594606491 3.9786437310055369 0.8499818222409736
Tc 1.1831741545045045 2.6439720080968279 -1.3928644908002603

Tc 2.9282924967149722 4.0269642432119888 2.2913749052151182

Tc 1.0923060362079298 -1.4106204825071895 0.9453533811430681

Tc 1.2133619711753525 -2.7331295063123910 -1.2700099655084660

Tc -1.4143868995487470 1.2596728276438931 3.9504924012581135

Tc -3.3202092979129034 -1.3567759010879037 2.2707647594859033

Tc 3.3192582376162392 1.2671973026442238 -2.1217002005264796
Tc -3.5351479327599842 -0.0214400641829560 4.3478505620563830

Tc 1.0656850167509688 -3.9350364581129433 1.0585918109691015

Tc 3.3156300148668478 -1.3782814561764773 -2.0805449930523725

Tc 3.0583612234207251 -1.2881052581442507 2.6699751234229971

Tc -1.2778749749084302 -0.0067105053683427 1.6879023035623000

Tc -3.1363702527261239 1.3350687227050138 -2.4142377930172465

Tc 3.0273413312119359 -3.8675474702256913 2.4961369687720385
Tc -1.2402183221871823 2.6624741247133521 1.5297058246784268

706
Tc -3.1201983028436988 -1.4223393159296229 -2.3795794076045897

Tc 0.9380060246139621 2.6967151316483360 3.1804732765418429

Tc -1.1955118399875762 -2.6835344124610607 1.5815041677509960

Tc -0.9962364161100243 -0.0420655074984086 -3.1084430428369494

Tc 3.0500232296855216 1.4582531505060778 2.6143757719624894
Tc 3.2579530703269484 0.0134690379951117 0.1922393721663589

Tc 3.4324264252369190 -0.0813667529470017 -4.1740516176126077

Tc -2.9907568316992439 -0.0596271219953941 -4.6714224045090758

Tc 3.2279968130346486 2.6244438266779291 0.2559570269498543

Tc -1.0570552026631237 2.5940562156300935 -3.0599218182629038

Tc -3.0652426470443306 2.4003865651745890 -4.6558416097386113

Tc 3.2626979191009937 -2.5900569030565883 0.3895040105843073
Tc -3.0242201770378845 3.9410831895750711 -2.1532527261241690

Tc -3.0497291419625814 -2.5264697973283425 -4.6113048977559172

Tc -1.1396734614476802 1.4204123570824017 -0.7199249284022020

Tc -1.0406734275535658 -2.6810967814270406 -3.0079235639078838

Tc -0.8186893969880273 1.2367241623264142 -5.2679739246178885

Tc -1.0297787349128171 3.9660955632283255 -0.7671879237006767

Tc -3.0241316775574294 -4.0018351489794339 -2.1000308297056414
Tc -0.8128034117934195 -1.3782964806030140 -5.2435771370083257

Tc -1.1072647054630327 -1.4709947150908693 -0.6870942796914541

Tc 1.2630790736892763 1.1817261870963485 -3.7449929844827592

Tc 1.2580366247454133 -0.0873415883574058 -5.9406489395765076

Tc -1.0018230856598098 -3.9977685307104132 -0.7092656921286071

Tc 1.2590760304256676 -1.3065529390475596 -3.7047658259535625

Tc 2.9468845712653007 0.1284084336610967 4.8188483821125168
Tc -3.2663085881005447 -0.0288794988939660 0.0022589858055504

707
Tc -1.3774223227445237 -1.1803846385463981 3.9978499351143064

Tc 2.8880766611191913 2.6755939324993001 4.8193354157331889

Tc -3.2777392229304443 2.6149439495505185 -0.1104635364379014

Tc 0.8682224322813692 1.5423878591513080 5.4185718955535016

Tc 2.9207493823652015 -2.4145918624836504 4.9490965405760967
Tc 0.8791550580722358 -1.2715192512833333 5.4801464972338927

Tc55 configuration: ∆E tot = 0.00 eV

Tc -0.0000000000000053 -0.0000000000000053 -0.0000000000000036

Tc -0.0000000000000053 1.3889518682500146 2.2334412020065297

Tc -0.0000000000000053 1.3889518682500146 -2.2334412020065368

Tc -0.0000000000000053 -1.3889518682500235 2.2334412020065297
Tc -0.0000000000000053 -1.3889518682500235 -2.2334412020065368

Tc 1.3889518682500146 2.2334412020065280 -0.0000000000000036

Tc -1.3889518682500235 2.2334412020065280 -0.0000000000000036

Tc 1.3889518682500146 -2.2334412020065386 -0.0000000000000036

Tc -1.3889518682500235 -2.2334412020065386 -0.0000000000000036

Tc 2.2334412020065280 -0.0000000000000053 1.3889518682500164

Tc 2.2334412020065280 -0.0000000000000053 -1.3889518682500217
Tc -2.2334412020065386 -0.0000000000000053 1.3889518682500164

Tc -2.2334412020065386 -0.0000000000000053 -1.3889518682500217

Tc -4.3845756328106527 -0.0000000000000053 -2.7130988556061588

Tc -0.0000000000000053 2.7130988556061482 4.3845756328108063

Tc -0.0000000000000053 2.7130988556061482 -4.3845756328106509

Tc -0.0000000000000053 -2.7130988556061606 4.3845756328108063

Tc -0.0000000000000053 -2.7130988556061606 -4.3845756328106509
Tc 2.7130988556061482 4.3845756328108045 -0.0000000000000036

708
Tc -2.7130988556061606 4.3845756328108045 -0.0000000000000036

Tc 2.7130988556061482 -4.3845756328106527 -0.0000000000000036

Tc -2.7130988556061606 -4.3845756328106527 -0.0000000000000036

Tc 4.3845756328108045 -0.0000000000000053 2.7130988556061499

Tc 4.3845756328108045 -0.0000000000000053 -2.7130988556061588
Tc -4.3845756328106527 -0.0000000000000053 2.7130988556061499

Tc -0.0000000000000053 4.3582120800683288 -0.0000000000000036

Tc -0.0000000000000053 -4.3582120800685038 -0.0000000000000036

Tc -4.3582120800685038 -0.0000000000000053 -0.0000000000000036

Tc 4.3582120800683288 -0.0000000000000053 -0.0000000000000036

Tc -0.0000000000000053 -0.0000000000000053 -4.3582120800685020

Tc -0.0000000000000053 -0.0000000000000053 4.3582120800683306
Tc 1.3571028138800187 -3.5294391052715408 2.1692933308949041

Tc -1.3571028138800294 -3.5294391052715408 2.1692933308949041

Tc 1.3571028138800187 -3.5294391052715408 -2.1692933308949129

Tc -1.3571028138800294 -3.5294391052715408 -2.1692933308949129

Tc 3.5294391052715284 -2.1692933308949147 -1.3571028138800276

Tc 3.5294391052715284 -2.1692933308949147 1.3571028138800205

Tc -3.5294391052715408 -2.1692933308949147 -1.3571028138800276
Tc -3.5294391052715408 -2.1692933308949147 1.3571028138800205

Tc 1.3571028138800187 3.5294391052715284 -2.1692933308949129

Tc 1.3571028138800187 3.5294391052715284 2.1692933308949041

Tc -1.3571028138800294 3.5294391052715284 -2.1692933308949129

Tc -1.3571028138800294 3.5294391052715284 2.1692933308949041

Tc -2.1692933308949147 1.3571028138800187 -3.5294391052715390

Tc 2.1692933308949023 1.3571028138800187 -3.5294391052715390
Tc -2.1692933308949147 -1.3571028138800294 -3.5294391052715390

709
Tc 2.1692933308949023 -1.3571028138800294 -3.5294391052715390

Tc -3.5294391052715408 2.1692933308949023 1.3571028138800205

Tc -3.5294391052715408 2.1692933308949023 -1.3571028138800276

Tc -2.1692933308949147 -1.3571028138800294 3.5294391052715302

Tc 2.1692933308949023 -1.3571028138800294 3.5294391052715302
Tc 2.1692933308949023 1.3571028138800187 3.5294391052715302

Tc -2.1692933308949147 1.3571028138800187 3.5294391052715302

Tc 3.5294391052715284 2.1692933308949023 -1.3571028138800276

Tc 3.5294391052715284 2.1692933308949023 1.3571028138800205

Tc55 configuration: ∆E tot = 2.14 eV

Tc 2.4632284506725100 -3.4473927599947718 -2.9809184553433816
Tc 3.6447779496672243 1.0415602777574957 1.8145187945664123

Tc -1.0594956222795915 -0.8254072187822032 2.2885323751918527

Tc -3.9471468300124153 1.3296178953842883 2.1667279460717292

Tc -1.7788548407186759 -1.7892087243795753 4.5815853902349897

Tc 2.4847614645950440 -0.9641157311264443 -3.6107284240193831

Tc 3.8383951800601910 -1.4348780123329536 1.0665358035154480

Tc 0.2562391788449165 -0.0445748658151164 4.2882368143957930
Tc -0.0763062833858363 2.6001678856178980 3.4260515308487687

Tc -1.2946945872404090 -1.3471515431407219 -2.3690454391396774

Tc 1.8382709041408898 3.1858963028957294 -2.3983199812630485

Tc -0.3478098518195196 4.1373576857650853 1.4227663102229169

Tc -0.2812028557170816 2.8186465810335051 -3.6229747825368603

Tc -2.1454916286569503 -4.8426224845289161 0.2966995570157991

Tc -3.5076695890329921 -2.1092869604851057 -1.5394188716259087
Tc 2.5391797441142376 -0.8175935216854935 3.2769311934404861

710
Tc -3.8312992614871799 1.8283777853076355 -0.2492277454312202

Tc -1.0787670693811773 -2.5744376212281885 0.0567976977263722

Tc 0.7158697378963694 0.7882080051090483 -2.4862599152897289

Tc 0.1037120316242870 -3.0228146753827456 -3.5709547863441378

Tc 3.3019879976492597 1.1336256343851598 -2.5100709446130658
Tc -3.6339249397547011 -3.0193053593334191 0.7610018473033282

Tc 2.3119059598025924 1.6359345825637455 4.1183812340118102

Tc 2.0535394520085255 3.1836484716974560 1.8761333417661152

Tc -2.5318043694565091 3.8875402157550969 0.2338826251927113

Tc -3.4775076928126758 -1.1949620046838429 2.8131819231096795

Tc 1.1646713465103744 -1.8655304428307655 -1.5070109119828583

Tc 0.4512601363099815 -4.3322247012624615 -1.1889293271015351
Tc -1.5660023546672228 1.9991384549298150 -1.4553481768234064

Tc -3.6399885830766960 0.2485875732218421 -2.2126066485067746

Tc -1.7111000956725331 0.7353330438300514 -3.6963351282421524

Tc 1.3255401591101403 -1.7711799470116389 1.2049088284230880

Tc -2.0361340179911558 1.0617183474461935 3.8190206052696531

Tc -1.8647830156243526 -4.0574765126176544 -1.9198815057237759

Tc -4.8010524521753766 3.5071241481997699 1.3746840466251271
Tc -1.8249461405631475 -3.2487107640288677 2.5085451026276893

Tc 1.0929078210041610 0.8457766687269501 2.0142972955915486

Tc 2.6294110345872639 -3.4499502770434418 -0.1677045696211508

Tc 4.9773709559407191 0.4769591977512917 -0.4409922274136182

Tc 0.5287481636764664 -2.5269380102344350 3.4440937430013001

Tc 2.4302721107321474 0.2357967872007105 -0.2807271078787341

Tc 2.7812363053823415 -3.4406278628521569 2.4852687762667465
Tc 0.7551482330950918 2.4352220663222397 -0.1888686575425620

711
Tc -0.4372270525769757 4.3228788804462717 -1.3769431833537080

Tc 1.8418974454639283 4.7604277865346667 -0.2149401741297385

Tc -2.7746577690043690 3.4764900648037944 2.7121024002298455

Tc -1.4870457050263450 1.8172910318875726 1.3833000114133025

Tc 0.4041688624139770 -4.1646522217896900 1.3328885871922616
Tc 3.7427426944473847 -1.5610203821488611 -1.5381403013414321

Tc -0.4444246575423136 1.3694204999205724 -5.8228853699661078

Tc -2.9237087934814916 -0.4933138150517209 0.3777045651616131

Tc 1.6184820202187282 1.6035950035734494 -4.7355723303554669

Tc 0.2317939502892070 -0.6574627781452129 -4.6028116898683420

Tc -0.3847192485429947 -0.0419411652031325 -0.2051211287329711

Tc 3.3602460174427584 2.5784394850523640 -0.2520405622255559

Tc55 configuration: ∆E tot = 2.27 eV

Tc 2.1408806200905310 -3.1380094801303446 -3.2270602686841752

Tc 3.4730355609827921 1.3036427802976664 1.7876188344672173

Tc -1.0736121262916392 -0.8717280143384674 2.1857577205621705

Tc -4.2111698923455840 0.9033511947007611 2.0984327433937775

Tc -1.6831394731098079 -1.8233139935807987 4.5681434579822433
Tc 2.9290053171982589 -0.2461859490725438 -3.8726175329644974

Tc 3.7902782215187685 -1.1904231926896678 0.9132103755536907

Tc 0.1874777204717137 -0.0600914993152468 4.2118557538658994

Tc -0.2909901853362253 2.5135012769719562 3.4590411186292407

Tc -1.2527765266619273 -2.1049102534696225 -2.6270685008413075

Tc 1.6056990308312606 3.5240777927018065 -2.3409389387461932

Tc -0.8434698013942850 4.0861953526295132 1.3913360498478635
Tc -0.4780216374652557 2.8347562313504628 -3.6247039084164721

712
Tc -1.8054057107682073 -5.0742736163628432 0.4650241055534110

Tc -3.4921363926242552 -2.6547913157652001 -1.3216098600436581

Tc 2.5090285411372708 -0.6793385896481343 3.1681129312199676

Tc -3.9819612349782885 1.5136558990076061 -0.4390349581975901

Tc -1.1767107873847191 -2.5982659739078322 0.0532683513478389
Tc 1.0377379570278151 1.0783350253817456 -2.6253789035447177

Tc -0.1164355294040593 -3.5811426697878019 -4.1084982879974294

Tc 3.5847757482999096 1.5823957515937472 -2.1914710992677815

Tc -3.4545564332914243 -3.3881346328345021 1.0038133227001182

Tc 2.2110183207626886 1.6665098975837260 4.1090855078106170

Tc 1.7165773784338363 3.2769638117613820 2.0016786069126749

Tc -2.8586492311332510 3.7499848739269233 -0.0157966894924240
Tc -3.4632621780482982 -1.4237503421294733 2.9705897834992374

Tc 1.1011713031350379 -1.5458550827549935 -1.5703983245757076

Tc 0.4607259716356573 -3.9584592711767765 -1.5737434203158944

Tc -1.6742384615676862 2.1419944924582346 -1.5943470205169312

Tc -3.1997571700594136 -0.1743686073967154 -1.9729349497595923

Tc -1.3503740247614591 0.2738318164718478 -3.4581596360150719

Tc 1.2557070869255824 -1.6121238559832367 1.0453419307130716
Tc -2.3021765317348741 0.9323526019698161 3.7243991953553461

Tc -2.0517637183605082 -4.4882956886284440 -1.7793517600077529

Tc -4.3627186703838863 3.2447271926100694 1.8022477604145415

Tc -1.5388401481662672 -3.3683855425348970 2.6142334691354527

Tc 0.9144147013966162 0.8818267887173885 1.9481676334929663

Tc 2.6899612534322141 -3.1714248493495596 -0.4207510740560263

Tc 4.9682026630837104 0.7291879547653046 -0.2488423455856612
Tc 0.7225338433951158 -2.5086731988998547 3.3178881881073661

713
Tc 2.3171412235052280 0.4950674723808248 -0.2912304343565300

Tc 2.8820203564186340 -3.2643295366261551 2.2583797950608027

Tc 0.5415333862084797 2.5491586927384962 -0.1880771995661128

Tc -0.6778068082457125 4.4469479882589038 -1.3776766944412682

Tc 1.4700193119588079 4.9133638573501681 -0.0382407814828927
Tc -2.5263027512908032 3.4757604018721526 3.2625847370307053

Tc -1.7946487036819558 1.7134739366481107 1.3890418660584043

Tc 0.5548332252340380 -4.1035709184719309 1.1365090323684690

Tc 3.6541331793890226 -1.1814840136367852 -1.7587802357687305

Tc 0.4974017876473429 1.1603183134109596 -5.2538316707044999

Tc -3.0654977346139223 -0.7164502692733610 0.5015679275347722

Tc 2.4634319540185157 2.1129848159374855 -4.5067530383249821
Tc 0.6876817046442696 -1.1932059172303422 -4.2034071030361613

Tc -0.7108105208158726 0.0052121563241805 -0.6129174994890274

Tc 3.0708050151367932 3.0114079051741758 -0.1437080624187903

Tc55 configuration: ∆E tot = 3.11 eV

Tc -3.7646825407046212 -1.3791799144741113 2.4159888098038120

Tc 2.1635999579229868 0.4561520090889690 -4.0806221303267298
Tc 0.4136941332250448 -3.5739251890510602 -2.6481979686220001

Tc -2.0238777411032736 -1.7094816371694641 -3.2721706547085549

Tc 2.1895593466267691 0.5378510450772520 -1.5135962309286501

Tc 0.2383866619846948 -3.4346586782398774 0.0658042258617613

Tc -2.1859687288139877 -2.0863588400088791 0.2820210647621959

Tc 2.2465073705810976 0.6823972586505676 1.2688359407205478

Tc 0.4788410906460570 -3.4803447388744289 2.6716605010974597
Tc 0.6223990206854690 -1.5662855328740584 4.1938067782698099

714
Tc -3.9469935387471162 -1.7411785032972258 -1.7908820642314858

Tc 0.1243944438539533 1.3141628078784304 -5.4082718067475515

Tc -2.1816719230682509 2.4411134979825846 -2.9429443915273623

Tc -1.5839142739195164 -0.4021402629541235 3.6452102948612737

Tc -0.0382013201710212 1.0499615265417219 -2.8190768189877744
Tc -2.2599636165995989 2.5901724833894750 -0.2394379291773916

Tc -4.4664377090027445 1.8266178216221700 -1.3788609340112696

Tc -0.1153473082495644 1.2185740644789771 -0.1016361836390320

Tc 2.3173950245436554 -1.8034092564799042 -2.5671409728002814

Tc 0.2378659409374411 -1.3458825656765558 -4.0581109329787513

Tc 0.0206081682335331 1.3210261948584154 2.4932430389543789

Tc 2.2553625052177662 -1.8131062992820741 0.0057032383885431
Tc -0.1073708846137151 -1.3642921965325723 -1.4660728587915948

Tc 4.3293536633716467 -0.2058968190619321 -2.6988749059794959

Tc 2.4308477168210469 -1.5749975952388926 2.5660487962558900

Tc -0.0292749334385363 -1.2028038397283431 1.5909050754331968

Tc 4.2690436460378844 -0.0701773023031009 -0.1359829299703286

Tc 2.0119125812917673 2.6352913196570107 -2.9846713065893535

Tc -0.2535019494643755 3.2791071037140469 -4.1948062635272167
Tc -4.0210209269737112 0.4320348776468084 -3.2000176402413683

Tc 2.0260602752497388 2.7707691705563331 -0.2614404791388232

Tc -0.1899893771855279 3.4114608633433523 -1.5205370349742289

Tc -4.0010910430977065 0.9642198177805223 3.2576231846726369

Tc -1.8232024346411357 -3.5309103670241804 -1.6328099381907553

Tc -0.1423252402432524 3.5533661061121009 1.1852766238676313

Tc -2.2874885075847331 1.8484645821283401 4.7474022742217965
Tc -1.8105914246484538 -2.8356917671214124 2.7062776605313807

715
Tc 4.4280459507558536 -2.4865017100222175 -1.2095232158078133

Tc 0.1327461630633646 0.9108509259234943 5.1139211039424968

Tc -1.8911521644629854 0.4564131212969542 -4.5702329606646375

Tc 4.5067582967275790 -2.3226152130278397 1.1866899642096342

Tc 4.3384338277048027 0.0340846132133787 2.5578324587453274
Tc -2.3108682937673493 0.2029313792726999 -1.3577483199355189

Tc 4.1282699412696680 2.1325987849278789 -1.5335963740064962

Tc 2.2938936596993571 0.8732739006520287 3.8418355404873967

Tc -2.3061601193812038 0.4947261134190750 1.3411817946858253

Tc -4.6109141622168144 -2.5614964461022431 0.4532222441081615

Tc -4.4084050212622916 2.1137111048558577 1.1791460993654077

Tc 2.4514167893069896 -4.0708867093641663 -1.1593717944402187
Tc -4.5995455492224080 -0.1178580720883744 0.1750402420858652

Tc -2.0447620628338008 2.8262081044949454 2.5557735547704503

Tc 2.6181730304484567 -3.9517988111359097 1.3368809000289605

Tc 4.1770948086235791 2.2442635312209500 1.1175174838776005

Tc -0.0577159271746606 3.1075475264594363 4.2864343647532976

Tc 2.0117747077621519 2.9025266108889483 2.5053517821818758

Tc55 configuration: ∆E tot = 4.43 eV

Tc 5.2035768895277528 -2.5664132635233656 -1.5636472775161820

Tc 3.9589676910361220 -0.3583199005476558 -1.5923013042124499

Tc 4.3721080092688336 2.0212603139604575 -1.8475765481116362

Tc -4.3013319197450670 -2.5005221413564183 -1.7949117696126748

Tc -4.1179825919382980 0.0404898117845658 -1.9047506280343729

Tc -4.3724957798807500 2.5956709349470941 -2.0868533203165729
Tc -2.0077191458379602 -3.3723545419821299 -1.7480937522932951

716
Tc -2.0932789726220218 -1.1886766683488883 -2.9871530678106790

Tc -2.0569027351931819 1.2457470580599512 -3.1640088728177158

Tc -2.0267952144116705 3.5164779140230760 -2.0218672411138492

Tc 0.3626449932419042 -2.6120632686596110 -2.2894030623480930

Tc -0.2433039210829140 -5.0337432903924553 -2.2003567360642879
Tc 0.2437362463356454 2.1701276160058480 -3.1258543117609783

Tc 0.0573390433600292 4.9633194163689929 -2.0414932795426655

Tc 2.8839186351188371 -2.6350370076389336 -2.2592485703075091

Tc 1.8107186032521607 -0.1695772443313999 -2.7970569841513413

Tc 2.7444833104377278 1.8478521950370581 -3.6909395628523765

Tc 2.0550418593469324 3.4185706130349161 -1.8780762482630831

Tc 3.5517146134214510 -3.5707343140186589 0.0104445166185965
Tc 4.6208400059202823 -1.4073976075584991 0.6251987268432355

Tc 4.5112314826336615 1.1272451415706595 0.8049426503870638

Tc -5.0077206683680258 -1.0977339386929543 0.3971111351678065

Tc -4.9039076832727808 1.5576117623744583 0.0794838337284514

Tc -3.4706946543723358 3.7475892645698519 0.2603378495316591

Tc -3.4391546410227853 -3.2698049756781451 0.6920820119751951

Tc -2.5503776066339654 -1.1361683790571480 -0.3659285214923216
Tc -2.4503226777551639 1.5021324006683052 -0.5848172925365294

Tc -1.3173788374195432 4.8542086961874524 0.1463529920610167

Tc -0.3458686899708763 -2.3327900628043245 0.1557249958566178

Tc -1.3395770196064181 -4.7321064598361593 0.1910715751028889

Tc -0.0479026764821757 2.7530920602763782 -0.6028056281719483

Tc 1.2987753446056409 4.9164650377795631 0.1656412435069505

Tc 1.1495911565372818 -4.2531337902701720 -0.4394527306296965
Tc 2.0620347308822708 -1.4300562051974079 -0.0936550637317684

717
Tc 2.2040045966972048 1.2873729390579651 -0.4185405000232318

Tc 3.5224441425875987 3.4268147736649244 0.2325526521946255

Tc 4.6383225404410595 -0.4406665663295968 2.8248015778517637

Tc 3.6328863898262256 2.4046005239911104 2.6883352687615893

Tc -4.3465882349870251 -1.9065791318007932 2.5482162276061349
Tc -3.3226870481936199 0.2818854832876845 1.6698651865731975

Tc -3.8747899347612451 2.5790322934335332 2.2968980081941339

Tc -2.0692320241632221 -4.3966887945079556 2.6223441303157387

Tc -1.8897911923154904 -2.0172139738681345 2.3305614070760097

Tc -1.5898886246028265 0.3021348792957284 3.4482095773966428

Tc -1.4440607172987452 2.5461496669261585 1.7842384697708908

Tc 0.2721732178421163 -3.8994990783735899 2.0652648561004376
Tc 0.4590856031780142 1.4217096295468323 3.3128769502553439

Tc -0.2082316452623800 4.5579549600519762 2.3183330685976085

Tc 2.4986463637068717 -4.7490447085586771 2.0226067321729904

Tc 2.8731491414447525 -2.3788330222309071 2.2677194197994357

Tc 2.4185141250124005 0.3638674684222050 2.0846665684989762

Tc 1.5036910899153675 2.9157957169060591 1.6359608773360481

Tc 0.5888720943187611 -1.3577088906704908 2.5062857304108661
Tc -0.3433032242152585 0.3862431951530052 0.9436649814618256

Tc -0.3172238384809880 0.0614454598485352 -1.6330009474384450

Tc55 configuration: ∆E tot = 5.13 eV

Tc -1.5747537859561085 3.2326034305332065 3.4525971243742717

Tc 1.3046214897382544 -0.2078278790343759 4.5410601658460408

Tc 0.9512159724384794 2.2371645432236029 4.6188889100927355
Tc -1.5553494399070775 4.7242790151206489 -0.8352856746478121

718
Tc -0.8984011068269311 0.8562968329740936 3.8313358402537858

Tc -0.4192349868914942 4.6654319783582121 1.2768135211212659

Tc 1.4252540305960828 0.5384006386209546 0.9053756526173924

Tc 1.7994809461528494 -2.7790563432437985 3.6700046323172799

Tc 0.9389486993094049 -3.4747798906227594 1.5143528007660443
Tc -3.8036041540762380 -3.2081089076207530 -0.5742526186142154

Tc 2.7845506802616775 1.1369683449425327 3.0529175626324090

Tc 4.8851482980246281 -2.0266098008169813 0.6056506739375340

Tc -2.2619547132720079 2.5997979202803467 -2.0836739139415048

Tc -1.6005614375999215 0.1082663929363843 -1.4594328495247524

Tc -4.5264814378331213 1.7655106385061590 -2.4749709892257403

Tc -1.1300210822389261 0.6405186682174371 1.1004679805917554
Tc -2.7155548311737601 -1.3322053329997345 0.7978044092432484

Tc 0.4528380145588180 4.2414436827777084 -2.1332624874289543

Tc -0.1939306361085986 2.4919802386007746 -0.3885454928364744

Tc 0.0431505668046075 1.8064466026298298 -3.1185948838764652

Tc -1.5133009929953971 -3.6715408024198632 0.4643745684937297

Tc 3.4258711130754893 -3.7627753454373822 1.4038535894116322

Tc 1.5763239926884243 4.3789034372234230 -0.0104199406049901
Tc 3.6836099665678557 0.1127131843597109 -0.2883534421260752

Tc 1.1556694367749785 0.6975669747838804 -5.1919788068873167

Tc -2.4154029928898613 -1.3709186553419901 3.2901702476218304

Tc -0.0575861098980237 -1.6192773838762982 -0.1428638446746060

Tc -2.3279237399351302 2.9452661129165953 1.2307973718898406

Tc 1.1763613555618697 -0.0208163934554033 -1.7663568033627470

Tc -1.1368540323780501 -3.5276260856224519 3.0491260594231129
Tc -3.8629827898072042 3.6951858311560848 -0.5457147208604631

719
Tc 0.6672401585005403 2.5981710007190255 2.2639457798461358

Tc -0.4493095630571418 -0.6801045610691521 -3.8185691502101795

Tc 3.5793578008254450 0.7161546049350296 -2.7600358416357889

Tc 4.4385780478191599 -1.7271040011123144 -1.9112694177874889

Tc 4.8368262839785245 0.4575076457876843 1.8576917137622022
Tc 2.5226638611635757 -2.4283971534156343 -0.4692933925597327

Tc 2.3278498778317278 -0.9313036547966291 -3.8779864208142687

Tc -3.5695090578810049 1.0859911546399861 -0.2348358595917208

Tc 0.7273685653626316 -2.5248394605652429 -2.5067131496150949

Tc -1.9344401611826765 -2.3293881479272596 -1.9439971204071131

Tc 0.0755135375987024 -1.2358580964881902 2.5327740070286762

Tc 3.1763716090108716 2.3359637377483473 0.9507560589529653
Tc 2.2697621279295301 2.4394049374584910 -3.9495163466306105

Tc -3.4177103577016208 -3.3658230113324183 2.1005244841199886

Tc -5.0221418672111611 -1.1260564816801182 -0.2251745721547032

Tc -2.5490550732907327 0.7743916364435126 -3.8330525911630930

Tc -4.0052675304926062 -0.6392372232884949 -2.2579613231251408

Tc 2.2044922258537625 2.3025005689805376 -1.3382247871202377

Tc -3.1165633584761157 0.9267531261643001 2.5697914959762862
Tc 2.9884735175937696 -3.2597073797093916 -2.9097708474327124

Tc -2.6106060626440453 -1.7435004447980091 -4.1745256897298315

Tc 0.5886721424527295 -4.2444918133140099 -0.8194179494240021

Tc -0.2897961873235761 -2.0622233646732084 4.8938311569054385

Tc 2.9520831705742498 -1.2120052663767069 2.0691451207882956

Tc55 configuration: ∆E tot = 5.75 eV

Tc -2.2594856806957182 -2.1168072857880116 -3.9313288034404081

720
Tc 1.6493260204308360 -3.8286635069394146 -1.3803824352006124

Tc -1.1435955952869623 -3.9878452019296624 -0.0043940476463167

Tc -0.8029634320388954 -0.3990737579822206 -2.7020345849152587

Tc -2.0604033154679229 1.9149154429779518 -2.9444785954872987

Tc -0.0622901354651333 1.3288996859141715 -4.4897455798720278
Tc -2.3308044807001060 0.2248537081326507 -4.7361473588200802

Tc -4.4714519460170550 0.4948098046066232 2.2428365735384794

Tc 0.7437875686553692 -0.6923448784675141 1.8028032768340658

Tc 0.5599463695980749 1.8108919813397009 -1.8945853566246527

Tc 2.6310386146365143 0.4457005091586872 0.0403776982069672

Tc 1.0743863013256618 -2.9927122132830331 0.8267338726042386

Tc -3.2718376683959232 -0.6585566311952817 -2.1442699814256994
Tc -1.8756818473113928 -2.8914661347645456 4.5374438665554067

Tc -3.6002385969786221 -1.8491515321834537 3.1535113845696294

Tc 5.0019546630950362 0.6248984818555705 -1.0037876132529249

Tc 2.6081236687853444 2.9490815465899569 0.4194125687237467

Tc 4.2125720152367521 -0.4358798122614456 -3.1782806505705814

Tc -2.4367163502704461 1.2241539210912684 -0.5525919007906896

Tc -4.2553626778722675 2.4489199903289176 0.8817297850371109
Tc -2.9517200593579940 -3.0303464213491864 -1.4906303419759350

Tc 0.6811940695325003 3.5518425056876133 2.1160863473318674

Tc 0.2544468754242750 -1.4342086500878146 -4.7100299228319855

Tc 4.4515084397872293 -1.1856188953001130 1.1807356632084609

Tc 3.2052728850810173 1.9765676126529996 -2.0119922852944399

Tc 4.8054924275104138 3.1501302606239445 -0.4476724444937119

Tc -0.7048129288377307 3.8976403308323277 -2.9350968588930559
Tc -0.0306142482478435 1.3330039528944244 0.5098934202723768

721
Tc -1.9790402365414703 -0.0385928677818299 1.9727732995275922

Tc 3.9441645118030042 0.0622161532052150 3.4543974346753750

Tc 3.4908802842594717 -3.4102927963533762 0.7309848272923727

Tc -3.6986387901049502 -1.3960084882955570 0.5113363660953034

Tc -1.6519277807389212 -0.5235478701654426 4.3961852542797288
Tc -2.8177385931483006 1.6382935618967966 3.7564965441646230

Tc -1.3064692487752527 -1.4220196733290411 -0.3696171063247302

Tc 2.0789759460532462 -2.3037353948723833 -3.3318751750074203

Tc -4.8819244133377664 0.5642510180979610 -0.4951567447253389

Tc 1.9170934872700638 0.1379919123867399 -3.4149937396157490

Tc 4.5699121722967586 1.3899050971353777 1.3256654951059854

Tc -3.4860901222492462 -3.7499449750539053 0.9839372376476518
Tc 2.7042728352742209 -2.0051611664040880 2.7260812018233977

Tc -1.3477646485755379 -2.6271742856501525 2.0201637453510273

Tc 0.4873050783872923 -2.5005624050282655 3.7672774214766687

Tc 1.9968561379617533 4.1818437700709357 -1.7611053370481820

Tc 0.0081964815164977 3.8168418170216807 -0.2252777195537892

Tc -2.2706798102601216 3.6983606225231771 -0.9242331872918594

Tc 1.1668670773688810 -0.2453351728736113 4.2931372907045873
Tc -1.8515874387355300 2.7393363811524445 1.5486374193165151

Tc 1.4164380931226273 3.2164837909845652 -3.8581948080933426

Tc -0.2958812750910838 1.5336369057129069 3.2882753597690151

Tc -0.4989838536085553 -2.9216777206705249 -2.3433281948457001

Tc 3.5760540206979670 -1.6951433239116049 -1.1835600642352428

Tc 1.1635455075728771 -1.1771186637617017 -1.1518354787896055

Tc 2.2187711608866643 1.3283727370104064 2.4935814925858697
Tc -4.2736775394593112 -0.1648537762019160 4.6361314703686958

722
 Tc55 configuration: ∆E tot = 8.45 eV
Tc -1.5988403909652309 1.1788370853738037 -0.7999569960416295

Tc 0.5188679435928716 2.5662941514043087 -1.9871119536458650

Tc 2.8288214639355242 2.0962273590660381 -0.9886176679275707
Tc 3.3060820797599302 -0.4205488739617511 -1.7549838999419762

Tc 0.9703264614981446 0.1481380553448730 -0.8298505885773579

Tc -0.8542161417215315 -1.3001247619847280 -2.0021311131916377

Tc -0.6706830077232855 -3.7659553260514560 -1.8649774089520079

Tc 1.6770404478249556 -2.3312375472824645 -0.9052973339179857

Tc 4.1980191032512817 -2.0946498396982225 -0.1607311985249282

Tc -1.5914013668218434 1.9758922680326680 1.8386902797460252
Tc -1.4293835125219960 -0.7864405698367367 0.9165300278567301

Tc 0.0074534649069715 -2.9093731843116064 0.7609657559523910

Tc 0.9353642661148651 1.8048433182212626 1.0505970639209607

Tc 2.7994842581326491 3.3206489988287125 1.5273593577291535

Tc 4.5803383096342429 -1.0753854644326157 2.4807193447199367

Tc 3.2834756713968414 0.2051316331815194 0.8344879493668387

Tc 1.0866142742006186 -0.7089306550257621 1.8648165450668586
Tc 2.7225242458117886 -2.5365583330915076 1.7708485495091608

Tc 3.9186469108930790 -0.4512628806339851 4.5650348767072000

Tc 2.7905176403172813 1.1534445374783857 3.1580415116884879

Tc 2.2738686992995465 3.3381398955393813 3.9619655680362342

Tc 0.3746029101547972 1.7659334403379852 3.6033588284898457

Tc -2.0748342141474740 1.5517698214219742 4.2803890856823017

Tc -1.3951398970543085 -0.8314372124037366 3.3284031425941407
Tc 0.4357837068223755 -2.8031172587226383 3.2243109839216757

723
Tc 2.7133350793501290 -2.5586054715782911 4.2342904148017197

Tc 1.1882635630765588 -0.6703355687971797 4.3430068924484573

Tc -0.6800416884588021 -3.8926348125106305 -4.2136750064581188

Tc -0.8621674133230872 -1.3700713516353620 -4.4975541140652817

Tc -1.1479311980917064 1.2838196521920615 -3.4648294904599624
Tc 1.1212198292652982 2.2797801952124566 -4.3107152406622697

Tc 3.4266191404884534 1.5260813526630521 -3.4152106824640853

Tc 3.4032893159735718 -1.3580590051423460 -4.1173609165835794

Tc 3.6606413799249875 -2.9323887480400277 -2.4790143240620282

Tc 1.1901327223560880 -2.4880448698876538 -3.4210562724983262

Tc 1.3476552395942871 0.0362617117358752 -3.4055006709171209

Tc -2.9417748530585417 -2.8345811726484005 -4.3700229552338934
Tc -2.9308627871785209 -2.9847020667909110 -2.0855026436146815

Tc -2.3685344266765274 -3.2385494227493385 0.5240268962764603

Tc -1.8600969284314264 -3.6523909771767524 2.7977193243908047

Tc -3.5900483762706310 -2.2967815706521737 3.5898722268290939

Tc -3.7852596375848089 0.1309464379951173 3.6835325245510830

Tc -3.6965982082270665 0.7009198383819140 1.1919404409970582

Tc -3.9284784342980226 1.6436248088036898 -1.5383671493915401
Tc -3.5317750746716294 1.8258649864175815 -3.8888161367036682

Tc -2.9850064214429199 -0.4981220389851817 -3.4550924334564286

Tc -4.0994862528515918 -1.7268190828326784 1.3740880586655848

Tc -3.3433364922912308 -0.7713536640213849 -0.9318707637517178

Tc 2.5294279669017481 3.7891824477030518 -2.7828926891821766

Tc 1.6188116196545703 4.3246386490537567 -0.4182988693492078

Tc 0.4898195604674722 3.9044688219393358 2.2962433105199338
Tc -2.0788439373921523 3.2249637173432255 -2.2301669101630921

724
Tc -3.8763605960137832 2.5792232881690911 2.6949551259694644

Tc -3.2911407645487163 3.2759711825811131 0.3858068179038270

Tc -0.7848052528343477 3.6574140764632723 0.0376045253966666

Tc55 configuration: ∆E tot = 8.54 eV

Tc 0.0000000000000018 -0.0000000000000053 4.4923920321926953

Tc 0.0000000000000018 -4.5802093292236625 2.3007644970164502

Tc 1.3484415670412648 -2.3881755827666549 3.2383711214502195

Tc -1.3484415670412613 -2.3881755827666549 3.2383711214502195

Tc 2.2224276076689709 -0.0000000000000053 3.4193744131487005

Tc 3.9768973535756533 -2.7144329595290682 2.5183574913700522

Tc 3.9768973535756533 2.7144329595290575 2.5183574913700522
Tc 2.1742114661921992 -3.9090815538884618 1.3935110553031773

Tc 4.6897980491146889 -0.0000000000000053 1.3100491915268133

Tc 1.3484415670412648 2.3881755827666442 3.2383711214502195

Tc -2.2224276076689673 -0.0000000000000053 3.4193744131487005

Tc -3.9768973535756489 -2.7144329595290682 2.5183574913700522

Tc 4.5970527414335827 -2.3026321342105813 0.2591339261149894

Tc 2.4649974221118303 -1.3118238295916154 1.1846893562480698
Tc -1.3484415670412613 2.3881755827666442 3.2383711214502195

Tc 0.0000000000000018 -0.0000000000000053 2.0035528278919070

Tc -2.1742114661921956 -3.9090815538884618 1.3935110553031773

Tc 0.0000000000000018 -2.3576716528954460 0.9953309973335092

Tc 2.4649974221118303 1.3118238295916047 1.1846893562480698

Tc -3.9768973535756489 2.7144329595290575 2.5183574913700522

Tc 0.0000000000000018 -4.4549721054766414 -0.4889765701236559
Tc -2.4649974221118267 -1.3118238295916154 1.1846893562480698

725
Tc 4.5970527414335827 2.3026321342104072 0.2591339261149894

Tc 0.0000000000000018 4.5802093292236492 2.3007644970164502

Tc 2.1742114661921992 3.9090815538884502 1.3935110553031773

Tc 2.4661900356749005 -2.9700984234942620 -0.9491959089264430

Tc -4.6897980491146827 -0.0000000000000053 1.3100491915268133
Tc 3.6496366853268416 -0.0000000000000053 -0.9255837101112849

Tc -2.4649974221118267 1.3118238295916047 1.1846893562480698

Tc 0.0000000000000018 2.3576716528954353 0.9953309973335092

Tc -4.5970527414335765 -2.3026321342105813 0.2591339261149894

Tc 1.2498877251474898 -0.0000000000000053 -0.8248940936382585

Tc -2.1742114661921956 3.9090815538884502 1.3935110553031773

Tc -2.4661900356748969 -2.9700984234942620 -0.9491959089264430
Tc 2.4661900356749005 2.9700984234942513 -0.9491959089264430

Tc -1.2498877251474863 -0.0000000000000053 -0.8248940936382585

Tc 0.0000000000000018 -2.2733513336385212 -1.7373272365802013

Tc 1.2001374328108358 -4.2216164580202280 -2.7518829638716245

Tc -4.5970527414335765 2.3026321342104072 0.2591339261149894

Tc 0.0000000000000018 4.4549721054766298 -0.4889765701236559

Tc -3.6496366853270006 -0.0000000000000053 -0.9255837101112849
Tc -1.2001374328108323 -4.2216164580202280 -2.7518829638716245

Tc 2.1827209628603175 -1.3649502000570930 -2.8254732959254287

Tc -2.4661900356748969 2.9700984234942513 -0.9491959089264430

Tc 0.0000000000000018 2.2733513336386739 -1.7373272365802013

Tc 2.1827209628603175 1.3649502000570823 -2.8254732959254287

Tc 0.0000000000000018 -0.0000000000000053 -3.2338925863696861

Tc -2.1827209628603139 -1.3649502000570930 -2.8254732959254287
Tc 0.0000000000000018 -2.1711526769149980 -4.3295918098951498

726
Tc 1.2001374328108358 4.2216164580203799 -2.7518829638716245

Tc -2.1827209628603139 1.3649502000570823 -2.8254732959254287

Tc -1.2001374328108323 4.2216164580203799 -2.7518829638716245

Tc 1.1007476770092044 -0.0000000000000053 -5.4851933790602709

Tc 0.0000000000000018 2.1711526769149874 -4.3295918098951498
Tc -1.1007476770092008 -0.0000000000000053 -5.4851933790602709

Pt6 Tc49 configuration: ∆E tot = 0.00 eV

Pt -3.2135572329031188 3.9681734275731890 -2.4386362753334643

Pt 3.0958547443406457 4.0840136852648392 2.4976815443219049

Pt -3.5767898793066708 0.0395961389787321 4.5618388605682183

Pt 3.1604634437231667 -3.9529484516027793 2.6424501701983258
Pt -3.1554520587713437 -4.0891281244902808 -2.3105869406438373

Pt 1.2978563202485252 -0.0881877923263499 -6.0478595489846958

Tc 1.2319546512451989 -0.0148694906273919 -1.4446720495155860

Tc 3.2343702024662919 0.0227330068821254 0.1987736101358634

Tc 1.0828752963388701 1.4593836151033166 0.9208779228947456

Tc -3.2120503337083313 -2.6487213973694193 -0.0261981261833844

Tc 1.0179724867097171 -2.5614289421284813 3.3034277952681883
Tc -3.3545218078733599 1.2979810923586990 2.2182950889330959

Tc 0.9122871969815793 0.0610620418034849 3.4085588897259846

Tc 0.9241703638993261 3.9532073512140715 0.8859164360927884

Tc 1.1177290501308852 2.6231160536262759 -1.3647734996918959

Tc 1.1052322952621425 -1.4165824818989179 0.9714275126283964

Tc 1.1585998052960622 -2.6541531265068539 -1.2770318961261566

Tc -1.3655284536530059 1.2820538960464580 3.8957094061455511
Tc -3.3344142287632854 -1.2860891272562327 2.2600856905752531

727
Tc 3.2683419923028136 1.2941099897282964 -2.0973117910953634

Tc 0.9908897236154591 -3.9096301428462290 1.0220019046312248

Tc 3.2869317338120960 -1.3146280824056571 -2.0581983203079268

Tc 3.0755312537902455 -1.3009836270659332 2.6823761439766391

Tc -1.2699818106972824 0.0133301282473212 1.6736297410849617
Tc -3.1489295490653921 1.3266550233719570 -2.4288024560396062

Tc -1.2040566680325748 2.6363051550270269 1.4986225328583525

Tc -3.1286170196214584 -1.4483437145835996 -2.3825142976250033

Tc 0.9734412470187597 2.6829720656306413 3.2087345790403994

Tc -1.1597724832426366 -2.6120400655012861 1.5835371115772139

Tc -1.0147817264943264 -0.0556831192881802 -3.1071915748088021

Tc 3.0517309290565362 1.4349282713691081 2.6326235933355897
Tc 3.4519610352899011 -0.0386100151270010 -4.2034939457475442

Tc -2.9910942318785962 -0.0912756376262343 -4.6508176146290987

Tc 3.1978075935866048 2.5971976103606784 0.2356200929856162

Tc -1.0842251501942155 2.5905947565500904 -3.0802515815139033

Tc -3.0199241452798447 2.3801310273768790 -4.7776254221460555

Tc 3.2327920561210939 -2.5503843581476655 0.3263397405646508

Tc -2.9882669480005299 -2.5666470878533407 -4.6972392473139699
Tc -1.1550602448398932 1.4168312909003657 -0.7550092431269880

Tc -1.0466864617114895 -2.7037947516749448 -2.9923355600073620

Tc -0.9081457737083941 1.2417040506638481 -5.2640464891547554

Tc -1.0454783125708211 3.9110987972341471 -0.7909720998390936

Tc -0.8906385857804772 -1.4190219946303226 -5.2202274993074287

Tc -1.1323059937962492 -1.4606126646882986 -0.7070926991795216

Tc 1.2848900413311151 1.2003864550553829 -3.7390485009095973
Tc -0.9847124176564480 -3.9541198850521146 -0.6632903118561032

728
Tc 1.3009753613746013 -1.2951421813674198 -3.6979858596627189

Tc 2.9578391623623181 0.1108971353239963 4.8489826615498766

Tc -3.2290521811897701 -0.0250176612406326 0.0028524690797900

Tc -1.3444610328853959 -1.1915162374550154 3.9343261309905158

Tc 2.9026943785959780 2.6379831185455078 4.8970140857454325
Tc -3.2526115335639583 2.5942498081428695 -0.1090188430857485

Tc 0.9604387525582215 1.5307344391719144 5.4877276293174138

Tc 2.9465257376296337 -2.4173455974862756 4.9905622598952286

Tc 0.9889594101010840 -1.3245236733043637 5.5422380897143846

Pt6 Tc49 configuration: ∆E tot = 5.33 eV

Pt 2.6971428390223608 4.3779372718499197 -0.0000000363636513
Pt -0.0759394438552935 4.5414837970583823 -0.0000000363636513

Pt 1.3612903391705440 3.6611928139592034 -2.3137878608160678

Pt 1.3612903391705440 3.6611928139592034 2.3137877880887654

Pt 3.6843972602232427 2.2354712807260326 -1.4326810717969878

Pt 3.6843972602232427 2.2354712807260326 1.4326809990698435

Tc -1.3594965852869685 2.2970409539324881 -0.0000000363636513

Tc 1.4034308752124893 -2.2128834394612595 -0.0000000363636513
Tc 2.2842193050402644 0.0457990241737925 1.3627529215790672

Tc 2.2842193050402644 0.0457990241737925 -1.3627509943064486

Tc -2.2329005179479915 0.0198055472072696 1.3735555009461071

Tc -2.2329005179479915 0.0198055472072696 -1.3735555736734149

Tc 0.0052780439145247 0.0120106033869892 -0.0000000363636513

Tc 0.0058226651345521 1.4286421302333370 2.2437651652472650

Tc 0.0058226651345521 1.4286421302333370 -2.2437672379744962
Tc 0.0248316833821830 -1.3489277021281816 2.2369006303921180

729
Tc 0.0248316833821830 -1.3489277021281816 -2.2369007031194252

Tc 1.2946074680674924 2.1245478775011293 -0.0000000363636513

Tc -1.3931500171298796 -2.2700782811712963 -0.0000000363636513

Tc -4.3872346710050270 -0.0672532694228806 -2.7206324346106205

Tc -0.0514642612485901 2.6383785535712656 4.4043769338048566
Tc -0.0514642612485901 2.6383785535712656 -4.4043770065319983

Tc -0.0181899792803893 -2.7502229295460499 4.3671490238812769

Tc -0.0181899792803893 -2.7502229295460499 -4.3671470966086572

Tc -2.8350322706054372 4.3005760319409161 -0.0000000363636513

Tc 2.7330011206200515 -4.3833928532283615 -0.0000000363636513

Tc -2.7063425773846022 -4.3954325804093788 -0.0000000363636513

Tc 4.3568951723123748 -0.0679441422761135 2.7360081299354060
Tc 4.3568951723123748 -0.0679441422761135 -2.7360082026625472

Tc -4.3872346710050270 -0.0672532694228806 2.7206323618833155

Tc 0.1442135118527908 -4.3494346460441866 -0.0000000363636513

Tc -4.3645303811883238 -0.0342096747660629 -0.0000000363636513

Tc 4.4036344744599143 -0.0419565190471737 -0.0000000363636513

Tc -0.0357933946106044 0.0315769230065895 -4.3625351029192432

Tc -0.0357933946106044 0.0315769230065895 4.3625350301919337
Tc 1.2976790092095865 -3.4819511135609384 2.2688050082856996

Tc -1.3708032619089578 -3.5511542385184329 2.1155423505732767

Tc 1.2976790092095865 -3.4819511135609384 -2.2688050810130047

Tc -1.3708032619089578 -3.5511542385184329 -2.1155424233005791

Tc 3.5437647194907909 -2.1835932686876069 -1.3132034108757649

Tc 3.5437647194907909 -2.1835932686876069 1.3132033381484571

Tc -3.5319461221225485 -2.1476638020818868 -1.3653522020312254
Tc -3.5319461221225485 -2.1476638020818868 1.3653541293040050

730
Tc -1.4226014629562089 3.4937279699115065 -2.2537282304999740

Tc -1.4226014629562089 3.4937279699115065 2.2537281577726747

Tc -2.2248202225334528 1.3224143074540882 -3.5049625042316177

Tc 2.1270146478489336 1.2481010029539170 -3.6182210309462621

Tc -2.1128246404154392 -1.3819329532758755 -3.5388094061765552
Tc 2.2725978938088471 -1.3335413674502665 -3.4815716636032854

Tc -3.5433426904416696 2.2059709629801802 1.2965077200952397

Tc -3.5433426904416696 2.2059709629801802 -1.2965077928225421

Tc -2.1128246404154392 -1.3819329532758755 3.5388093334494011

Tc 2.2725978938088471 -1.3335413674502665 3.4815715908759755

Tc 2.1270146478489336 1.2481010029539170 3.6182189582190261

Tc -2.2248202225334528 1.3224143074540882 3.5049624315044765

Pt6 Tc49 configuration: ∆E tot = 6.64 eV

Pt 0.0440779584376351 0.9773279187860441 -5.6921645497567699

Pt -1.7639433890314509 3.0115383275995784 -2.8439379306588806

Pt -4.0273148949790594 2.4710067930813300 -1.3930325590566259

Pt -4.3998261937917542 -0.4419497309275331 -2.7000173234316116

Pt 0.3048031251621031 3.4112187129139810 -4.4741813304552585
Pt -2.1923866859032546 -0.0047551733156928 -4.3807788342836176

Tc -3.9504902138728997 -1.5799125058490302 1.6424869482176772

Tc 2.2869024178776063 0.4974860736641583 -1.6799578203574181

Tc -0.0495128360502806 -3.7083991547893982 3.2395924165498333

Tc -2.1901607735518600 -2.0003438842033736 -2.5730881384462063

Tc 2.4482187812505720 0.8978718912748939 1.1369356396878525

Tc -1.9952695348876368 -1.5491469731563037 -0.0786187139164395
Tc -4.2764725205564176 -2.3042861841497215 -0.7588780060635160

731
Tc 0.0005608285798926 1.0459479133419893 -3.1011246704682374

Tc 0.0266926974614904 -1.5274752607500195 4.4046042557889464

Tc -2.0664670760921853 -1.0074254675226155 3.5719480283533800

Tc 0.0156328979691056 0.6735951719427384 0.0477933359341952

Tc 0.2019673162998041 0.9280095499081723 2.7322937457876320
Tc -1.6168245168992590 2.5836325786469052 -0.2835935560333697

Tc 0.1345298760040496 -1.3371226180770066 -4.2474634409963556

Tc 4.3996770179462867 -0.1313899951381897 -3.2375358372276506

Tc 2.1865481707869159 -1.8073636472907142 -3.2727284225849824

Tc 0.1143174629648942 -1.2738762486320356 -1.7296829026689606

Tc 4.6613374526034130 0.9264916587312082 -0.2628377751465664

Tc 1.9210216400066615 -1.5233965781277343 0.1951844387001490
Tc -0.2010046794143772 -1.4921857580812727 1.8548651119908957

Tc 2.1537845775211717 -1.1187247975512815 2.9103210433842954

Tc -4.5495282958098757 0.7460938253132052 2.7493776338298601

Tc 2.3769641666630084 2.5822803147444646 -3.3083343748288443

Tc 0.5849113902823672 2.9125694736657990 -1.4214882289357256

Tc -2.5512743951381234 1.4052988111764868 3.9405347711559680

Tc 3.0108407422018035 2.8403187902300315 -0.5207925110091759
Tc 0.7518320460526712 2.9104753977326743 1.0845250488515110

Tc -0.4647909562364076 1.2537617282340279 5.3166671673025618

Tc -2.3904410397099163 -3.9315759811902984 -0.6607738562844619

Tc 3.9752825125171594 -1.5281223978866592 -1.3025105452594621

Tc 4.0326755650430917 0.4586148171249586 3.0215816698625200

Tc -2.1209565104586474 -3.3708306226032159 1.8560579295079562

Tc 4.3340204802944191 -1.0557635007304940 1.1543594020703962
Tc 1.7901329150739331 0.5581768492195541 4.8163862022708592

732
Tc 4.5677056050591363 2.1402230623336851 -2.5335912335951085

Tc -3.9471673365081443 2.3961733731380330 1.2744100356260657

Tc -2.1471536705650283 0.5016578987890367 -1.8414292649188564

Tc -4.2916800955159928 -4.0121197974166805 1.0531863203342391

Tc -1.5775184309437114 2.9957042965825260 2.2781126493550867
Tc -2.1769587928813285 0.5989668904684772 1.5220966727556147

Tc -4.1101891807334656 0.2000727602034843 -0.1725066504052698

Tc 0.0883405701251277 3.1693016744651605 4.0912749074343209

Tc 2.2052297146468445 -3.3801632639923138 -1.4749508477010060

Tc -0.2575460512861214 -3.6298301966519251 -2.4292185166444553

Tc 2.2396589554742117 2.3831631641140123 3.3275034644738537

Tc 1.8483920230602546 -3.3888454520670330 1.9416359264569378
Tc -0.0110187874485923 -3.3727216341891801 0.0428260152048659

Tc 4.3860586677348872 2.5112210045994736 1.5023488700183294

Tc 2.2337792831652719 0.4895261022636366 -4.3336918097709711

Pt6 Tc49 configuration: ∆E tot = 7.40 eV

Pt -2.6564858665842426 0.6816442312104051 -5.0228533582149231

Pt -3.6989263824018628 -1.8766680311928601 2.5656375469412795
Pt -4.6233761046719719 3.1265373634222993 1.3740790756175600

Pt 4.2730541746942103 3.2793686638416273 0.0023943801656617

Pt 3.9600516334530256 -4.0998160208939822 0.8319225067539200

Pt 1.0317143065714951 0.4041484814294537 4.4547610824238815

Tc -2.0575202503711343 -1.6870708417428903 -4.2692581604164603

Tc 1.8970138984370226 -4.2334309254581468 -0.8846317891338578

Tc -0.4661745459452118 -3.7518785138221729 -0.2991028814569299
Tc -0.8112355545549682 -0.5969174219018295 -2.3016234813455241

733
Tc -2.3460985871581546 1.9283258433757999 -2.8037038990102254

Tc -0.1154770812354753 1.3421459474550952 -4.1880615850207539

Tc -4.1292163235818506 0.6405441921595448 1.4341433189182415

Tc 1.0303470130337939 -0.7022973586451499 1.9922274197319385

Tc 0.0372667666804470 1.8267720574484263 -1.5805322790266814
Tc 2.2329124751519922 0.4994428015845865 -0.2929697606214708

Tc 1.5061356197023428 -3.2466848617889674 1.4742958240083432

Tc -3.3850234823517327 -0.3888457383124809 -2.4450707530832947

Tc -1.2390130906427324 -2.5392782583936055 4.6983550846739766

Tc 4.5928792840294852 -0.2148756120095175 -0.9925254207782024

Tc 1.6687468425699743 3.1427937009887978 0.0526316385669452

Tc 4.1185362931322809 -0.0529503096109077 -3.2481063518665865
Tc -2.2809123458860805 0.8881568524478799 -0.4662071985588452

Tc -2.1920982859255589 -2.6566945912764499 -1.9133039425243050

Tc 0.2316515603415167 3.7557381467846751 1.8756852946874700

Tc 0.2376847574652314 -1.3578924134516328 -4.4807534869705128

Tc 3.3926176848812641 -1.5352583700048521 1.1430561922104316

Tc 3.4155708927297277 1.9884888434043868 -1.9862438439473264

Tc -0.6831145877291239 3.7710307909801357 -2.9452331848493105
Tc -0.0944587109304951 1.3529390964988053 0.9700113792174023

Tc -1.7965698786702671 -0.1288029312555271 2.3603694314111454

Tc 3.2675009269141522 -0.5972411243206178 3.3503914330500737

Tc -3.6187998919655593 -1.2796164607839828 -0.0586365678428338

Tc -1.4055857940975922 -0.2614076492282463 4.9519753839096268

Tc -3.2273332972492845 2.0120373468631056 3.4635796812926323

Tc -1.1165012191836767 -1.3624115641870216 0.2053131580592668
Tc 2.6389155391438277 -2.1548600614997682 -3.2117287458222363

734
Tc -4.6705281900822637 1.4176437359399723 -0.8408553704049382

Tc 1.6928393493944032 0.1398275378984418 -2.8952062028406669

Tc 4.1039815360423884 1.0600724405928965 1.4055810807685398

Tc -2.7053172671272967 -3.5645188050280741 0.6810804034269442

Tc 3.2465009126074609 -3.0071644427190067 3.2924206797817930
Tc -1.0681524148728936 -2.6844096327323324 2.3472410324441055

Tc 1.0634815594808640 -2.2567511711661083 3.9588244074716696

Tc 1.6136350943888704 3.9124913122801557 -2.4396620875514197

Tc -0.6924151871820493 4.1641673365256615 -0.5691311739325695

Tc -3.2589232227952016 3.3670021725376227 -1.0618287559817088

Tc -2.0652486611866596 2.9887914897579324 1.1314438845791515

Tc 2.1577880071953035 2.3009060062454956 -4.1111926620023800
Tc -0.8118327061270890 1.9749263227166072 3.4155639021743065

Tc 0.2166558512796162 -3.0986390544422946 -2.7069274192481747

Tc 3.8170006818251254 -2.5176514173057005 -1.2668099769713501

Tc 1.3144252525105367 -1.7733925661093231 -0.8472445919753475

Tc 2.0727698722352179 1.6575820813394500 2.2483189737567613

Tc -3.6153388553811370 0.0039013535541917 4.4481007353557702

Pt6 Tc49 configuration: ∆E tot = 8.99 eV

Pt -0.3821009376440678 0.2610287291272812 -0.2138935822188732

Pt -0.9902172364798347 3.7467321129522739 0.4525606141891507

Pt -4.0969704284222379 3.1622166281033941 3.1988504948237204

Pt -2.7066234855205766 -0.3304200655034715 -1.9466673199391902

Pt -4.3289713656161961 -1.2021330334019036 0.0009814034367921

Pt -2.1790902975159887 2.2958471355440464 -1.5419998593706621
Tc -0.2445145295163796 1.5867903630320037 2.1317032114585674

735
Tc 0.2044987539252160 1.4539839526572098 -2.5327219055261607

Tc -0.2202236165894023 -1.1766903267362909 2.1460261028312626

Tc -0.0624205744199282 -1.3520600668700229 -2.3583881307358641

Tc 1.3568188999656301 2.3925889190669132 -0.2279016804952365

Tc 1.1442835464396524 -2.0661885698316853 -0.0181951165027172
Tc -1.6062613886574622 -2.2407676775545400 -0.1031378693105796

Tc 1.9923736979069253 0.1144180913498512 1.2676693156923549

Tc 2.1733053241632239 -0.0032352068705748 -1.4474205486236753

Tc -4.4493119196086033 1.3052230490160641 -0.6487622954625980

Tc 0.0641052111531088 2.9670253833978415 4.2988080330806246

Tc -0.2488631200436220 2.7900576513218884 -4.5320301065928437

Tc -0.0130223663253050 -2.5583003237588091 4.3713641859149694
Tc 0.1268358118459659 -2.8852805208545340 -4.4435621260365039

Tc 3.2108140549889859 4.3504604942188561 -0.1938149186806410

Tc -3.2213129750864558 2.2207084638009409 0.9371386679777040

Tc 2.5279942392697317 -4.3060341009250980 0.0795066106462753

Tc -2.8375228978897984 -4.5381371328067681 -0.2134822695516776

Tc 4.1767763863147938 0.0908400611803720 2.6667670373504779

Tc 4.4256214101790725 -0.1600904522779981 -2.6343628553824079
Tc -4.3098205889706973 -1.0790800047542792 2.7330334529982725

Tc 1.0330535668891652 4.8473608891661195 -0.6100724593272902

Tc -0.1947172729988027 -4.2898341676638321 0.0004117889293133

Tc 4.2317690466204985 -0.0277160303018019 0.0402109986997795

Tc 0.2491394562696861 0.0060199574173980 -4.5755738714522121

Tc -0.0901942678741346 0.3158996711097721 4.2921682344406742

Tc 1.2212405038200744 -3.3669312995282770 2.1404459901311155
Tc -1.3184674247964820 -3.4818831148880101 2.2480306113438044

736
Tc 1.3332085755428611 -3.5425088327587200 -2.0688633318320226

Tc -1.1984326959299469 -3.6250910834968417 -2.4182184452212656

Tc 3.4071052284367807 -2.1668333136915487 -1.2512936659964444

Tc 3.3253966231539125 -2.0370987778413330 1.3856034893799829

Tc -3.4106875380417918 -2.9686589454165344 -1.8297684105656258
Tc -3.5318983107354329 -3.1618177495925353 1.5978663405262903

Tc 1.7572866086697787 3.4675182523307360 -2.5932978197798739

Tc 1.3655795753023774 3.6519139783091390 2.0505611943612263

Tc -0.6899931960723018 3.9963982156907703 -2.6461941307747994

Tc -1.6155800671681133 3.6124853368831866 2.9229591308126568

Tc -1.9333705610290166 1.1670622704840767 -4.0268862164034154

Tc 2.4314584494007145 1.1203278312960296 -3.7019009094848747
Tc -1.8391620380611444 -1.4474057720123852 -4.1000682544779830

Tc 2.1636414087326998 -1.5046846721846368 -3.5325936774683160

Tc -2.5255850318704227 -0.0035970651445477 1.4346590699319959

Tc -2.2383852297082001 -1.2653226289766144 3.7609738980065615

Tc 1.9004294213145934 -1.1961503533799702 3.4790582512169257

Tc 2.0309474121392399 1.5386590615419020 3.3535579220082901

Tc -2.4067938298848963 1.2114868871028672 3.5865394878475536
Tc 3.6219963865258737 2.0864307929556749 -1.4039478551407243

Tc 3.4148355935066808 2.2244671099669633 1.2375640943181387

Pt6 Tc49 configuration: ∆E tot = 9.93 eV

Pt 1.1123015763522406 1.3976012006061118 0.8907550572528482

Pt -3.4929784095017271 1.3084073438873640 2.3142619721874071

Pt 1.2083737458233288 -0.0248047050136939 -1.4461160537737399
Pt 0.9223118118803129 0.0330638069398574 3.2742907626959581

737
Pt -1.2196501023389255 2.8198349134889833 1.6319057786940678

Pt -3.4049102335483528 2.6586022470349002 -0.1165558722088251

Tc -3.2352105197352437 -2.6576017713226809 -0.0239369981748965

Tc 1.0119095847948585 -2.6292447816173623 3.2344198009122080

Tc 1.1063063346973812 3.9500009891726724 0.8242533571134485
Tc 1.1217639011730240 2.6674754039614950 -1.4281144045440026

Tc 3.0038741879310238 4.0192285317418603 2.4067558808548282

Tc 1.0878540916767638 -1.4551922448244594 0.9205459398859850

Tc 1.1597147147904268 -2.7140112690731177 -1.3382392444012641

Tc -1.3634617605350394 1.3140045934900348 3.9283666632857956

Tc -3.3303824797519335 -1.3420477977733911 2.2885050677440990

Tc 3.2857471051311702 1.3947824974212641 -2.0554665663806158
Tc -3.3167914095826947 -0.0165361677344715 4.5649376661459184

Tc 1.0991657221767770 -3.9537476664286446 0.9625181266184899

Tc 3.3268618233677594 -1.3818174922225641 -2.0559633190972564

Tc 3.1130333674916759 -1.3386697699923553 2.6460544567541344

Tc -1.3555738773548081 -0.0404319228336702 1.6470206926917939

Tc -3.1169849622252666 1.3298247306502284 -2.3463981060458292

Tc 3.0150134183649793 -3.8808776219559808 2.5739417460172929
Tc -3.0984044542468476 -1.4742616862120281 -2.3779036021206608

Tc 1.0202859472018291 2.8203947582046336 3.1372479343449400

Tc -1.1980537139132297 -2.6224370658014893 1.6247983292887975

Tc -0.9814618804222246 -0.0533124309311703 -3.1019605470900826

Tc 3.1397641339717426 1.4983928131680042 2.6127257435363620

Tc 3.2541801197846332 -0.0464742117726176 0.2016824507247317

Tc 3.4816573252882974 0.0105292469899006 -4.0497545314696675
Tc -3.0257990445868912 -0.0809509112986164 -4.5774266575782621

738
Tc 3.2922224183758901 2.5806447822689607 0.3376220332196325

Tc -1.0305768149738668 2.6362512816618864 -3.0307296296127593

Tc -3.0290832878862406 2.4565564910970350 -4.6744088123800651

Tc 3.2725987360444120 -2.5866582910718683 0.3881663404953637

Tc -3.0588010314841712 3.8663018646487290 -2.4679496384797543
Tc -2.9825029390909128 -2.5736335781490043 -4.6724260692190835

Tc -1.1834875815230956 1.4981218762488095 -0.7220691057746287

Tc -1.0267565835702961 -2.7202189081718320 -2.9934283856856547

Tc -0.8335899774075075 1.2043348741264492 -5.2726942137827342

Tc -1.1894803522788797 3.9734313982727967 -0.8541050995757060

Tc -3.0177699417373605 -4.0246413954709750 -2.1486436398683098

Tc -0.8520571760949023 -1.3509541243510867 -5.2577907227787977
Tc -1.1273120406525250 -1.4780373127204764 -0.6745585937732075

Tc 1.2339492805007994 1.2175883656510824 -3.7922395732336138

Tc 1.2678964844870155 -0.1354834973556152 -5.9174448362008532

Tc -1.0600180010103613 -3.9963177348188896 -0.7019749342475141

Tc 1.2526449010610061 -1.3094679515055960 -3.7528981493218150

Tc 2.9700684067270773 0.1194059498886723 4.7776932144464839

Tc -3.3008198126708819 -0.0941493915845486 -0.0203274701402403
Tc -1.3517147826911442 -1.1594526344339331 4.0017184008902094

Tc 2.8013003739882683 2.6611998686390264 4.8806961080133915

Tc 0.7925780410967656 1.4664787106529991 5.4022253130142239

Tc 2.9305136681811210 -2.4440572844252197 4.9315713232236629

Tc 0.8997419484547471 -1.3169669190464004 5.4668446169077800

Pt6 Tc49 configuration: ∆E tot = 12.02 eV

Pt 0.7444516964694791 -1.4086574354180883 1.3824091226546540

739
Pt 0.1223334058902685 1.6394456264856048 -1.8080334120428518

Pt 2.8535569759273915 0.1054922644371329 0.9628522863111431

Pt 1.1690726459305021 -4.3813079971088564 2.0123084248591927

Pt -4.2185536975782636 -0.2309063163167103 -2.9705214573077678

Pt -2.4426544187374066 -2.7396630324286750 4.4041704677180871
Tc -1.9475011475673338 -2.3670806142596574 -4.5368012790579391

Tc 1.5290519422402946 -3.2293138107219743 -0.2920931467052517

Tc -0.7543885040346224 -4.3654780489005525 0.0325693009810844

Tc -1.4765628193240690 -0.5933696928316424 -2.6245323201261086

Tc -2.4318028125601336 1.8965247125754907 -2.8512717079286185

Tc -0.6096799037244024 0.8443571482277200 -4.5487503595417680

Tc -2.6438843099202907 -0.1784864150934998 -4.9615047540577928
Tc -3.8254871897228542 0.8150076269944116 1.4634319427045865

Tc -3.3999363438953774 -1.8807085854578489 1.7382639089660141

Tc 5.1537545954685138 0.4011253622594754 -0.2589104840067396

Tc 2.3954576741791600 3.4055744437983155 0.3647115076694076

Tc 4.1128523186870192 -0.2450778660967186 -2.7233354202248967

Tc -2.0366836098203955 0.9208787386587861 -0.4051147031899394

Tc -4.3971043427428835 3.1687524027575042 1.0609048458189418
Tc -2.9291599695422561 -2.6245522741185003 -2.1775434588852405

Tc 0.4590145070772668 3.7292775882234110 2.3209451238519754

Tc 0.2276521745741361 -1.5828142084571282 -4.4503062698671245

Tc 5.1544383134749037 -1.3097955415844698 1.3672333316504672

Tc 2.7364884637559652 1.3034662181566494 -1.3907438681157931

Tc 4.4533319895679213 3.0077025319421686 -0.5718258307225776

Tc -1.0160362130948495 3.7718130815472186 -2.8356492523740360
Tc 0.5246659771441367 1.4628191985015484 0.9794920891402136

740
Tc -1.5166865788277910 -0.2511362834910739 2.0589872858827678

Tc 4.2547011095739755 0.0294155277096681 3.1414499471612767

Tc 3.6778027058425522 -3.2475068648208221 1.1530153288660299

Tc -3.8928213699502261 -0.9048149785067022 -0.4749197723502932

Tc -0.8827101654704309 -0.4945029384500409 4.4837221219519874
Tc -2.9808856968379311 1.9356019594421883 3.8912441507624353

Tc -1.4985697058171508 -1.7990559448466146 -0.1254118327560887

Tc 2.2703447172276365 -2.1325061736581739 -2.9708587769616321

Tc -4.3445528146976482 1.6289807232537314 -0.9529861592785462

Tc 1.8292101109200871 0.3056652776780157 -3.4755183316969229

Tc 4.6568252638629373 1.8668700046564231 1.6341398233109938

Tc -3.0006240049550099 -3.8437261841901691 -0.0926493221242660
Tc 2.7451491075919874 -2.0922868167081203 2.9550051555194887

Tc -1.1643712535349211 -3.0102751370809790 2.1596551886105924

Tc 0.4868093033720703 -2.3470361801279043 3.8821916595980839

Tc 1.8386420073645584 3.6234872212171862 -1.9626388340189675

Tc -0.1879560188689592 3.6519397119002117 -0.2054909666554703

Tc -2.6490806438747065 3.4660556789636479 -0.6169435331736566

Tc 1.3324134751961729 0.2150220234692875 3.3570179012241774
Tc -1.9716853188944667 2.6207155006827882 1.6044925006353488

Tc 0.8776208051993798 2.8479084106104513 -4.0207987086326362

Tc -0.5794859744897088 1.9357172599651136 3.6354976520178330

Tc -0.1749587541473446 -2.8190185746050576 -2.1857218388325275

Tc 3.4246597362094997 -1.6628720448054988 -0.8656979637804625

Tc 0.9436177460005971 -0.7894810955982129 -1.2032836625416425

Tc 2.3389405638325855 2.2812770425459825 2.6968765141184652
Tc -3.3390357499495673 -0.3494622309764389 3.8172698449723090

741
 Pt6 Tc49 configuration: ∆E tot = 14.47 eV
Pt 1.0506838916105163 1.4287254918833132 0.8859887227692801

Pt 0.9222369228890666 0.0327476442874159 3.3814419731956531

Pt 1.1144537544926756 -1.3871170254054741 0.9427932443055872
Pt -1.2703371739327132 0.0460947297876961 1.6913352229949004

Pt -0.9759056724799382 -0.0262028355547327 -3.0925550521826484

Pt -1.0813033449258420 -1.4302063423922426 -0.7025557009108058

Tc -3.2292066682529836 -2.6398938625721402 -0.0445438809251588

Tc 1.0030209907482659 -2.6451795814622856 3.3160986870491040

Tc -3.3295967844888579 1.3434447642983363 2.2711168612144026

Tc 1.3201149837044648 0.0268794379403593 -1.5017069661106683
Tc 0.9832941158779960 3.9533332744644429 0.9377172803051058

Tc 1.1729916097161757 2.7120515510535408 -1.3638433610776273

Tc 2.9692031617609915 4.0044207579396787 2.4151484409609898

Tc 1.2786987380818395 -2.6574020236604889 -1.3303915943823017

Tc -1.4306582292049754 1.2863230561359349 4.0096217105680445

Tc -3.3184212099757331 -1.2884431198932838 2.3240172022448822

Tc 3.2917538599482907 1.3744207079025992 -2.1840225506028039
Tc -3.4393029354198155 0.0484191097107355 4.4902128112340867

Tc 1.0634312021281740 -3.9258274790840466 0.9867790647992011

Tc 3.3210467819815097 -1.3245701502970773 -2.1353405707995452

Tc 3.1187538835363267 -1.3596166290542209 2.6690401495077367

Tc -3.1557895235703679 1.3529571573687242 -2.4024870919711070

Tc 2.9807369347583417 -3.9499558816752041 2.5058816633566132

Tc -1.2454635717885267 2.7404972393283549 1.5301022186254416
Tc -3.1363727628338625 -1.4805771853496952 -2.3550517549656473

742
Tc 1.0004402355072923 2.7108870845750199 3.2546404957046868

Tc -1.1936004083260923 -2.6750523105032067 1.6344998579773291

Tc 3.0880270733647479 1.4136073226405552 2.6324954134519190

Tc 3.3234497771982894 0.0184906483671577 0.1278461229777421

Tc 3.3902683670573457 0.0080910356994174 -4.2555078050851636
Tc -3.0556098249277919 -0.1683537647211176 -4.5748706144688072

Tc 3.2510497821612567 2.5611415312084298 0.3557212622636653

Tc -1.0732432296822589 2.6677224718110195 -3.0251661618367565

Tc -2.9044568450754973 2.4402458462286760 -4.7725751208035181

Tc 3.2956846624817251 -2.5219985900229491 0.3890122539158708

Tc -3.1764694693653630 3.8508184380670967 -2.3286128021252277

Tc -2.9343589693637644 -2.6939471659443104 -4.6020749224038191
Tc -1.1589293126618643 1.4971698061591965 -0.7434214589664944

Tc -1.0031810072268050 -2.7460311110481883 -2.9639775955604239

Tc -0.9387905314751765 1.1937343323885670 -5.3447242512409643

Tc -1.1696231307206810 3.9753206893424222 -0.8268654717353300

Tc -3.0236200959816757 -3.9928600393061480 -2.1640283953872590

Tc -0.8852657533796757 -1.4403603059714447 -5.2304767161442243

Tc 1.2575545424595262 1.2681354004467029 -3.7530557738632644
Tc 1.1324685949529942 0.0650341926679184 -5.9532676686184454

Tc -1.0420326657845298 -3.9783949512701584 -0.6883429688875761

Tc 1.2969596650315272 -1.2806893311923555 -3.7454461383429467

Tc 2.9638221018925841 0.0292551332298047 4.8663347055241655

Tc -3.2929114296231172 0.0088586896313857 0.0049751024347326

Tc -1.4372895137654877 -1.2108892266861004 4.0402233840908863

Tc 2.9746417628223507 2.5538269407380176 4.8224212431118847
Tc -3.3090873442546203 2.6263522838594655 -0.1529345997930471

743
Tc 0.8494889617915271 1.5415470172379950 5.4296491279234935

Tc 2.9648252965045487 -2.5020587830024734 4.8737067595618466

Tc 0.8317257540276684 -1.4549260903306427 5.4490260071223320

Pt6 Tc49 configuration: ∆E tot = 16.59 eV

Pt 0.1581496969951803 0.0319579440270466 -0.0685445496186101

Pt 0.0651252990542462 -1.2965247024373880 2.3245588105353692

Pt 1.3980711183042120 2.3834646643519894 -0.1947692445823017

Pt -1.3394477357051857 -2.2263450976716985 0.0102550308340136

Pt 2.4938645550936838 -0.4030420522688600 -1.5189966457573569

Pt -2.1992925891505513 0.1360333185609805 1.3853812559348262

Tc 0.1051466446420928 1.4553854870596981 2.2620623153316917
Tc -0.1141074701582489 1.4175464931790629 -2.2971332814298808

Tc -0.0548155008139698 -1.3413954786599893 -2.3460067055480698

Tc -1.4079707155954673 2.3016235506791496 -0.0149069392284380

Tc 1.3995158069892555 -2.2917349445126156 0.0664749380768327

Tc 2.3038140755732130 0.0098570451666549 1.4726190355959503

Tc -2.2811425213002368 -0.0068862737377313 -1.3754242901996214

Tc -4.3748358281323680 -0.0181714464457276 -2.7439000605838619
Tc -0.1113577616574772 2.5816112210239464 4.5494203312177648

Tc -0.0275854006675857 2.7156097613729888 -4.4625667818872641

Tc 0.0101307270130425 -2.9591157836509350 4.2346020332419352

Tc 0.2907502337781137 -2.8725804443668936 -4.3720497178218576

Tc 2.8708278305043593 4.3678938174876913 0.5111286026518774

Tc -2.7019042778791129 4.4518747734052209 -0.0205711980566232

Tc 2.5067342242351529 -4.6879755407162973 0.1968378247281237
Tc -2.7078868043670861 -4.3909698002166246 -0.3861696463155326

744
Tc 4.5270105037594091 -0.1841632072210495 2.5865629532102483

Tc 4.3468963422243112 0.6567756353586461 -2.9964334559526900

Tc -4.2841522393971543 -0.2536832670378363 2.7808865017310636

Tc -0.0757901206284814 4.4608293268658796 0.0202673109471083

Tc 0.1057388907528128 -4.4122061702589486 -0.0579824014537087
Tc -4.3953850982629046 0.1084010961321607 0.0842020196637092

Tc 4.4642020372632318 0.0093127577292881 0.1523984500165121

Tc -0.1190241524747825 0.0775714920740040 -4.4326861179964823

Tc 0.2821556780341224 0.2002962035277415 4.4633901143598633

Tc 1.4707130011171972 -3.5222647554676394 2.2657192087993208

Tc -1.3211597094793917 -3.4767696571192888 2.3922241011665228

Tc 1.2651317283443353 -3.5907393335521043 -2.2931483844437555
Tc -1.3237576593724942 -3.5686395300697402 -2.1681665763991704

Tc 3.5336444002450471 -2.7967182869292380 -0.8822581575369688

Tc 3.6275966007618394 -2.2250898093748805 1.5470708004687748

Tc -3.5806822676258432 -2.2589528219655204 -1.2570818660311889

Tc -3.6556361664138737 -2.0699275149552001 1.2517288672756963

Tc 0.9038174699056983 3.6714789231653859 -2.4588012483407464

Tc 1.1700935204125837 3.7470803867523652 2.0608360042959086
Tc -1.5332424617583791 3.6216912529047707 -2.1682468243257995

Tc -1.4153937265294976 3.5187782030841221 2.2701149429879566

Tc -2.2663143306793652 1.3866282577136027 -3.5552831955858277

Tc 2.1382897252539528 1.2304566424790699 -3.5792169325288641

Tc -2.3332202907613935 -1.2711715573723192 -3.5183854533264709

Tc 1.9499034539747657 -1.2911985707628237 -3.9499389026150000

Tc -3.5762158620610411 2.3883221296011312 1.1442554627673334
Tc -3.6089215927265919 2.1184886212981233 -1.4302044561918046

745
Tc -2.3391937446440356 -1.4173178775929256 3.5086646672451813

Tc 2.2350630328884002 -1.2738000038200983 3.6411970228325217

Tc 2.2857627940532663 1.4720436228719109 3.5584955077960321

Tc -1.9935302709821281 1.3860136293371077 3.6775313157736003

Tc 3.7069529279612632 1.9387585175035549 -1.2449799810488416
Tc 3.5268639800898542 2.2615991534710855 1.3749675853209866

Pt6 Tc49 configuration: ∆E tot = 18.75 eV

Pt -1.7125214691595558 -0.5853660601824301 -2.4544014518312651

Pt 1.0084038420717019 -1.6661884687150454 1.2847247380746183

Pt 0.1255163388185400 1.5231508796833275 -1.9822535385115052

Pt 0.2244927958440679 1.0277923497321768 0.6943053007102761
Pt -1.3710816756166873 -0.0940046282144350 2.5476805224935228

Pt -1.3445124683077703 -1.3357720590497355 0.0816594950464579

Tc -2.0090270127797254 -2.3658865315519453 -4.3577314544322139

Tc 2.2987171352218727 -4.1295907216745311 -1.1193517836971221

Tc 0.1593453049068808 -3.7278438359439612 -0.1701385057754209

Tc -2.6264037645257461 1.8945066379577731 -2.8780900962180525

Tc -0.5996394792860711 0.9106641964837580 -4.5664822065108446
Tc -2.8337151447953315 -0.1735520484386262 -4.7673989682228086

Tc -3.7060330920070563 0.8118306241602282 1.6306282719227791

Tc 2.7058800025278509 0.2500028200340852 0.8572218998546983

Tc 1.7220318953512450 -3.9638482607209689 2.0174392830847170

Tc -4.2801563531728943 -0.2858272171772301 -2.8950797002912276

Tc -2.3455160106699111 -2.9173833051819331 4.0355540210409497

Tc -3.2551159623375310 -2.0995004211724106 1.8379705948144864
Tc 5.0053239225429724 0.4017082103443578 -0.0032784086307777

746
Tc 2.0961369364611202 2.8309125955502825 0.8602287515417052

Tc 4.0565786615311810 -0.6014480868795754 -2.6018188451387028

Tc -2.1723820045629787 1.3942153847315633 -0.4497603590172223

Tc -3.8697263038004475 2.9778216620711135 0.7894039331827666

Tc -3.4258917217343283 -2.5549798943646964 -2.3412936012452361
Tc 0.4796233583883813 4.0137157324907990 2.4930425734728550

Tc 0.1701204271461105 -1.3350156948690397 -4.7516998300635116

Tc 4.4552827994979651 -1.4506343802454247 1.6879308648650677

Tc 2.9728623815385280 1.2590809557276370 -1.4761826999988203

Tc 3.8797978688973815 3.3460376526363129 -0.7623044546973664

Tc -0.8268837307922496 3.7288385650871700 -3.0504392790763171

Tc 3.9274738481597504 0.4323845395010257 3.1766560206749519
Tc 3.6524422671103949 -3.8697722855732533 0.8145014935780529

Tc -3.8525097515829985 -0.6954399299565103 -0.3421292056809697

Tc -0.7865234901816436 -0.2770249851398128 5.0617409956519870

Tc -2.7901485485303557 1.6404603047500899 3.8907792057005586

Tc 1.9827075561497360 -2.5050799795888472 -3.0051017239801476

Tc -4.5772194223338785 1.5378613489860145 -1.2547398425620702

Tc 1.8089463494380453 0.0493397519000149 -3.4701577813036044
Tc 4.4428202522091178 2.1012358001286344 1.5523137211004321

Tc -2.8589225304437336 -3.3921435613015296 -0.1513977835302288

Tc 2.6414212103067864 -2.1334770643228769 3.2413031132168388

Tc -1.1225504589612219 -3.3469207973506503 1.9804522260525064

Tc 0.1483362094473425 -2.0378798060061607 3.8087876951586983

Tc 1.7422259313676474 3.6596447839029604 -1.7482473229036226

Tc -0.4279780310641494 3.5263644360616420 -0.3873011903620642
Tc -2.6559377999099509 3.8394428631595656 -1.2988755357383344

747
Tc 1.4169926816750267 0.3127035023574480 3.1265337073094814

Tc -1.5258742961362013 2.7837329913592366 1.7078097433085140

Tc 1.0412451223295633 2.7344526765905894 -4.0238142777151715

Tc -0.3051386443387591 2.0820864172902276 3.7965857683832041

Tc -0.2821199927089348 -2.8441049236568610 -2.3825967928439944
Tc 3.1962778315974396 -1.7490347625041953 -0.6918814736551527

Tc 0.8929660692777512 -0.8885531263164274 -1.3113862359611730

Tc 2.3222463096540484 2.6158886993086194 3.2925470820583174

Tc -3.0126861497283381 -0.6596035458875350 4.4275333272965032

Pt13 Tc42 configuration: ∆E tot = 0.00 eV

Pt -4.4315553679275865 0.0811787205027547 -2.7746383564515229
Pt -0.0267070136303748 2.7115962494323873 4.4073178621446747

Pt 0.0021159841371805 2.7308677308152278 -4.4144450087490990

Pt -0.0018234949936231 -2.7378385170302972 4.4035767039303693

Pt -0.0488953499929805 -2.7461375034522733 -4.4185094106793548

Pt 2.7278023625166044 4.3936408429784342 0.0021087589121882

Pt -2.7297495784776773 4.4078032996277861 -0.0086158586367605

Pt 2.7212349429662623 -4.4199891091270409 -0.0051152264311186
Pt -2.6959585134379100 -4.4804525040863092 0.0450117957704799

Pt 4.4031356947158020 -0.0007481537448720 2.7135798306230532

Pt 4.3917757478811552 -0.0251935100842751 -2.7525539756376913

Pt -4.4318134255379320 -0.0200870197034860 2.7097922598297113

Pt -3.6548216511416993 -2.2423279875562145 -1.3770490240324404

Tc -0.0279531116494833 -0.0211633601264848 -0.0158194923059654

Tc -0.0119326644978991 1.3850348327611843 2.2501133068167509
Tc 0.0013111087544857 1.4037648023208806 -2.2599281010070147

748
Tc 0.0049862474555206 -1.4045482599457724 2.2519074315300793

Tc -0.0374115003405652 -1.4080842145025960 -2.2581878940547715

Tc 1.3839769245943152 2.2420098073626660 -0.0056744579133623

Tc -1.3947101533390367 2.2575913652254580 -0.0090148682756646

Tc 1.3950182756364493 -2.2641965056152209 0.0027188933189803
Tc -1.4131227601478080 -2.2909489135024810 -0.0008130636930476

Tc 2.2416721813308627 -0.0101049442990747 1.3858928066017548

Tc 2.2459602328172581 -0.0132443374971437 -1.4106460206849811

Tc -2.2781240557910447 -0.0247419173795392 1.3665535068174226

Tc -2.2882789864045199 0.0070917329205759 -1.4172963112728434

Tc -0.0141063932751428 4.3762880035202931 0.0203971162937829

Tc -0.0066490799976779 -4.3934210507555287 0.0694880511550427
Tc -4.4153753479345115 0.1931414706389628 -0.0387180845122089

Tc 4.3754619127238810 0.0066265682506571 -0.0101873371526843

Tc 0.0028336644527165 -0.0243681771731846 -4.3781623327185262

Tc 0.0670610177068665 0.0045130121945105 4.3841685655706772

Tc 1.4287217851579317 -3.5366769171739181 2.2190905917464980

Tc -1.3642992193200090 -3.5585018884333706 2.1850296434485386

Tc 1.3192899239900149 -3.5463332649721075 -2.2054221329233745
Tc -1.2079184626385990 -3.6887805408710976 -2.1116930951553377

Tc 3.5966854048593158 -2.1643605819184226 -1.2909170500015710

Tc 3.5561775107231353 -2.1965881942561722 1.3154205536898849

Tc -3.4592957414348469 -2.2989490575384139 1.5062779072334636

Tc 1.3733197095097387 3.5291486814948794 -2.2081472956423176

Tc 1.3465561077039039 3.5395800413487555 2.1839703202014937

Tc -1.2912145555407453 3.6059861158723345 -2.1883927239603143
Tc -1.2879990332002562 3.5829144416704994 2.1751516456940823

749
Tc -2.2196289402788203 1.4235392563069749 -3.5160842926494769

Tc 2.2287905078571182 1.4324991871458834 -3.5050643650829554

Tc -2.1590666513389056 -1.1415901961015515 -3.6850278384819464

Tc 2.1515365914916904 -1.3858585301156714 -3.5564588028250368

Tc -3.5360583814778370 2.1823414250718631 1.3775311943668584
Tc -3.5626365596747500 2.1865399978583633 -1.3513617695147087

Tc -2.1872206824934368 -1.3173771374318244 3.5530656486921095

Tc 2.1673629063899797 -1.3432917160043367 3.5591348000466723

Tc 2.1826612078588954 1.3411713897530000 3.5415647295009109

Tc -2.2234441868618369 1.3251278074623827 3.5279343317588086

Tc 3.5574162206195972 2.1703081519441829 -1.3397678973053087

Tc 3.5349066889268288 2.1855990759177848 1.3569138320571121

Pt13 Tc42 configuration: ∆E tot = 4.13 eV

Pt -0.1357007333890769 2.7933515850047135 4.4523953058326162

Pt -0.1357007333890769 -2.7933515850045412 4.4523953058326162

Pt 2.7407224252493401 4.4575338357216419 -0.1136084840112365

Pt 2.7407224252493401 -4.4575338357217982 -0.1136084840112365

Pt 4.4182691985198339 0.0000000000000032 2.6441656532276574
Pt 4.5374112414474528 0.0000000000000032 -0.0902946169208304

Pt -0.2631766139925983 0.0000000000000032 4.6311918785980923

Pt 1.2276916357872325 -3.7491320307744251 2.1927023515946860

Pt 3.6808325533624004 -2.2274422814676100 1.2932801321281069

Pt 1.2276916357872325 3.7491320307744314 2.1927023515946860

Pt 2.2450115757427569 -1.3936772819991097 3.6383613057520461

Pt 2.2450115757427569 1.3936772819989525 3.6383613057520461
Pt 3.6808325533624004 2.2274422814676162 1.2932801321281069

750
Tc 0.0274964943840946 0.0000000000000032 0.0482650741698038

Tc 0.0086103250696160 1.3905581171214725 2.3714984947671520

Tc 0.0309695138978570 1.3621910503536196 -2.2203258735651175

Tc 0.0086103250696160 -1.3905581171212975 2.3714984947671520

Tc 0.0309695138978570 -1.3621910503536108 -2.2203258735651175
Tc 1.4586924122202951 2.3006493160532133 -0.0196394316341752

Tc -1.2958706416546890 2.2334857407821191 0.0185570019987159

Tc 1.4586924122202951 -2.3006493160532049 -0.0196394316341752

Tc -1.2958706416546890 -2.2334857407821129 0.0185570019987159

Tc 2.0237168881829768 0.0000000000000032 1.3426651731790489

Tc 2.2623803478212330 0.0000000000000032 -1.3788245462793871

Tc -2.1321524578548430 0.0000000000000032 1.4294297848553226
Tc -2.2375442220905017 0.0000000000000032 -1.3576212524249780

Tc -4.3300461973198150 0.0000000000000032 -2.7359404817387927

Tc 0.0272276897033542 2.7263150113529742 -4.3683556150250320

Tc 0.0272276897033542 -2.7263150113529728 -4.3683556150250320

Tc -2.6890438255295543 4.3466983405006143 0.0456558667098575

Tc -2.6890438255295543 -4.3466983405007760 0.0456558667098575

Tc 4.3510940703231578 0.0000000000000032 -2.6820056767451015
Tc -4.3653894158205331 0.0000000000000032 2.7200423253750086

Tc 0.0040781612541066 4.4148323537559051 -0.1674767682238646

Tc 0.0040781612541066 -4.4148323537559033 -0.1674767682238646

Tc -4.3170810732995957 0.0000000000000032 0.1297600818212069

Tc 0.0162811795476944 0.0000000000000032 -4.3511630827990926

Tc -1.4618712329947430 -3.4842605765468582 2.2597457619187900

Tc 1.2997905441152884 -3.5788017602286613 -2.2196338874825856
Tc -1.3412668720604835 -3.4979967183353051 -2.1917002429084551

751
Tc 3.4871925159895150 -2.2234491114088688 -1.5832395032636486

Tc -3.4927435817186043 -2.1740343444010164 -1.3307268488027078

Tc -3.4876810507451772 -2.2013516703371914 1.3138115952580254

Tc 1.2997905441152884 3.5788017602286675 -2.2196338874825856

Tc -1.3412668720604835 3.4979967183353065 -2.1917002429084551
Tc -1.4618712329947430 3.4842605765468697 2.2597457619187900

Tc -2.1845909800173100 1.3031998412758243 -3.5128448463231723

Tc 2.1823168023320898 1.3393786208652334 -3.5624485971967026

Tc -2.1845909800173100 -1.3031998412758181 -3.5128448463231723

Tc 2.1823168023320898 -1.3393786208652219 -3.5624485971967026

Tc -3.4876810507451772 2.2013516703371949 1.3138115952580254

Tc -3.4927435817186043 2.1740343444010177 -1.3307268488027078
Tc -2.2999969565384961 -1.4243081773506576 3.5291571253177234

Tc -2.2999969565384961 1.4243081773506585 3.5291571253177234

Tc 3.4871925159895150 2.2234491114088777 -1.5832395032636486

Pt13 Tc42 configuration: ∆E tot = 5.59 eV

Pt -2.9136996496188385 -2.5004545919224994 -4.1682264102810018

Pt 1.0181093221591040 -3.3707378606812046 -1.0023130606487172
Pt 0.0002964543530391 0.8957644897272979 -5.4419075783114721

Pt 1.4029478822191701 -0.5737977370388886 5.4345526661149286

Pt 3.8387168270467864 -0.2528891763658697 -2.4340244814235388

Pt -1.4610345877346653 2.2074174110673566 4.2179364896452913

Pt -4.9923392617154851 0.3199464551890038 -1.0042949001770580

Pt 5.3026365512037890 1.3281994398687365 2.3270142037992745

Pt -4.0282254986700758 -4.4997334182006838 0.6479284140843705
Pt -0.4054589567541697 -4.4817819084276174 2.6337806326251294

752
Pt -0.8221195740399408 3.6851373218115513 -0.2440134910333812

Pt 2.0546842113095773 3.4149225106043755 -4.5859673979129711

Pt -3.3661351300788125 -0.7816128947370619 3.2912811974386473

Tc 3.1056645752567458 2.7435635607807050 -2.1567852730367782

Tc -1.5346685141921035 -3.9630290994007056 -0.1759294842033391
Tc -2.5429449096598962 -2.8633943254054506 2.0073634272839502

Tc -0.6922634992742812 0.2175326705459720 -3.0279458575793790

Tc -2.7405415879393886 1.9842375058877113 -2.7836218270533188

Tc -2.5449085631235540 0.1737325239383852 -4.5985573243102236

Tc -3.4911261992073555 0.4024061225610622 1.0491652768653628

Tc 1.8665040592322693 -0.5895785093886811 1.8419039595582793

Tc 0.7515897781238282 1.9298929489137249 -1.6234441935941801
Tc 2.6643783083656829 0.8186338598339239 -0.2695555335512275

Tc -0.1263261442679801 -2.3836495008371008 1.1961050161645215

Tc -3.1672657331820204 -0.6495516220629801 -2.4275700936238143

Tc -1.6923870350458299 -2.7521497940617565 4.4145182959467322

Tc 5.0251860438151637 0.2219936461830610 -0.1559386481686130

Tc 1.8537820621724084 3.5496180971654336 0.1219793633997288

Tc -1.6517260017285922 1.0436274549706819 -0.6776583083931235
Tc -3.5384400178343611 2.5525323873565036 -0.2718520218140258

Tc -3.4437818138283198 -3.0772623493577536 -1.4818474985273986

Tc 0.5060766559826649 3.4630633514213813 2.4152580287020951

Tc -0.3327760388826492 -1.6757117550848901 -4.5772692421875600

Tc 4.4092836803307565 -1.0516716854938846 1.8356578606462888

Tc 4.4013748184585051 2.6092964912171865 -0.0047884524524966

Tc -0.3076681386202146 2.8684803092580906 -3.7104441679550164
Tc 0.3310522115700706 1.5479617051334218 0.9932554178011216

753
Tc -0.9992918108675056 -0.2464212909876650 2.1931696796614415

Tc 3.1852188629781963 0.4340321095779356 3.8061074009950637

Tc 2.2156731504224294 -3.2086855098238249 1.6957641689669318

Tc -4.4878748939699706 -1.9268059241803410 0.4900529333158784

Tc -1.1127154103037509 -0.4532332533435232 4.5854689340904473
Tc -2.1103139674999190 -1.4165564120775449 -0.1332002408094149

Tc 1.5010328638881458 -1.4401019283899630 -3.0047797533620240

Tc 1.8522760994354912 0.9137242138447289 -3.5897771596771793

Tc 3.1185439368049170 -2.1020878010824524 3.5861575846384528

Tc 0.5239292718914569 -2.2629654705155509 3.6403537839253874

Tc 1.2567123691512805 4.3179572532524926 -2.2226557524581811

Tc -1.8262550777848092 4.1015362627438323 -2.5284315768701950
Tc -1.9965600247228457 2.2770274856222792 1.7265848630688707

Tc 0.8464561326284724 1.2579683141478233 3.5198539848278525

Tc -1.0735299273080272 -2.3885614670017836 -2.3736584440710295

Tc 2.9804658154261969 -1.6873912797162156 -0.2357187575303582

Tc 0.5411067651719631 -0.7976361315852368 -0.7577054401837447

Tc 2.8486792584572558 2.1172467945464701 1.9986687876347005

Pt13 Tc42 configuration: ∆E tot = 6.00 eV

Pt 2.9400720111377168 4.1446740252616916 2.4784659065978931

Pt 3.3667622721618753 1.4778721317659529 -2.1341365985075189

Pt 3.3847972379570672 -1.5395238099412425 -2.0877094067244091

Pt 3.2786331801760120 -1.2685413902898008 2.6449018015693975

Pt 3.0589576534325968 -3.9910065825327585 2.6521204046483966

Pt 3.2559161704806572 1.4096087767998526 2.5860494529690423
Pt 3.4165012757676760 0.0141881208236500 0.2735936836923001

754
Pt 3.4753088415257456 -0.0667854934235699 -4.3471713835958505

Pt 3.2382995949140687 2.8239346235391642 0.1516935833945174

Pt 3.2560987473654905 -2.8009912922731748 0.2514348795725512

Pt 2.9420474307889228 0.1286146625707964 5.1423598251484330

Pt 2.9147508451201070 2.7855218647980537 4.9406936761048383
Pt 2.9181050287474428 -2.5338927667288518 5.0663123895382078

Tc 1.0099080243784699 1.4845484556541839 0.8588712101662597

Tc -3.2559085569215305 -2.6610287679758882 -0.0682599354195128

Tc 1.0545267976713089 -2.5688197464846967 3.2900898867197239

Tc -3.3534116289465952 1.3057643842135365 2.2241943974570253

Tc 1.3751155589951154 -0.0424281025547031 -1.4622339956792343

Tc 0.9415825282015325 0.0562141281152515 3.3329753281587613
Tc 0.9141082847448566 4.0136289014813054 0.7498444996839484

Tc 1.0865015574987440 2.6715604972657299 -1.3692884937971053

Tc 1.0249653193935202 -1.4524685416592908 0.9062807792550918

Tc 1.1069937053400880 -2.7234691292583681 -1.2762533093174211

Tc -1.3591330605225951 1.2612960409681708 3.9472368105325915

Tc -3.3665216661723854 -1.2840403167373906 2.2547007190885906

Tc -3.4906716406755423 -0.0225863733631919 4.3442782661173647
Tc 0.9467277743539620 -3.9672458923109453 0.9898930293420503

Tc -1.2170216408055394 0.0072997717007488 1.7126095859977157

Tc -3.1583014142918424 1.3484439922892113 -2.4096886945164351

Tc -1.1362344453202120 2.6570516945771723 1.5626918137011727

Tc -3.1513062286496680 -1.4387777688753585 -2.3739124573511465

Tc 0.9916180624895169 2.6830310277052973 3.2009995524436574

Tc -1.1005319065939736 -2.6689794362873580 1.6133657298850950
Tc -0.9158784064629332 -0.0414962565929118 -3.0791404256703854

755
Tc -2.9996662724510212 -0.0652564273908505 -4.5726172452538290

Tc -1.0766550146905860 2.6076707747892827 -3.0188470464350488

Tc -3.0120793168525162 2.4575970440423269 -4.7099576937522603

Tc -3.1567199048809806 3.8545904458592255 -2.2761300166259488

Tc -3.0008983962214821 -2.5937161852034647 -4.6351692156727191
Tc -1.1037112614981270 1.4236205397646327 -0.7093752560589968

Tc -1.0622273283993737 -2.6901935627771789 -2.9729160647256418

Tc -0.8659890700205565 1.2473228920849941 -5.2365036883411626

Tc -1.1355690862053944 3.9321874423761556 -0.7470358958641412

Tc -3.1511006597746984 -3.9408140370178857 -2.1418408167969147

Tc -0.8671657387722181 -1.3658468396147150 -5.2187353279384432

Tc -1.0876814184418329 -1.4698929581059312 -0.6807860166015141
Tc 1.2419741146306182 1.1959802821311190 -3.7983060547172345

Tc 1.1979036126921929 -0.0870010564270616 -5.9456474663222263

Tc -1.0536370688372594 -3.9657878912608506 -0.6766349463838435

Tc 1.2395228369306384 -1.3091161809266203 -3.7500295068033211

Tc -3.1947858989595037 -0.0165331353353022 -0.0132796000598281

Tc -1.3304287887136093 -1.2392188575536922 3.9693903897105942

Tc -3.2991500602298940 2.5868988871205132 -0.1395249151827247
Tc 0.6724513160104421 1.5111042841637783 5.3183869820529184

Tc 0.6522360974054836 -1.2747668929587452 5.3876968905666915

Pt13 Tc42 configuration: ∆E tot = 8.65 eV

Pt 1.7963962909726254 -3.7010967971500497 -0.8541725506060702

Pt -0.7393631050889178 -4.0097518854705889 0.0637850355033997

Pt 1.1588744056556215 -3.7194709328277704 1.9416632420560234
Pt -2.2845099725412843 -2.2459199063425661 4.9208323855577216

756
Pt -3.9117342002478610 -1.6857853741835123 2.6378773919238960

Pt -2.6988152848244615 -3.6065777164148534 -2.0979085849335450

Pt 4.6431248514825576 -1.0710361970622415 1.5897797057936505

Pt 3.6316256142216803 -3.4517533386659380 1.0817068351249506

Pt -3.4002115492385157 -3.3928981700388841 0.5689764924656300
Pt 3.0636831014134009 -2.2334943179881477 3.4544399864881350

Pt -1.5213779611274667 -3.2153017051742632 2.5462631394551360

Pt 0.4950119013489954 -2.8815842689433504 4.3964879409725217

Pt 3.6957827744737246 -1.7098101558700556 -0.9183053521876900

Tc -1.6745945104190485 -2.2139192101748737 -4.2797767165346121

Tc -1.2330817774633616 -0.3443100757698107 -2.6656682300433880

Tc -3.0649717433817774 1.4981804572121740 -2.7098537250250696
Tc -0.8272755224732926 1.4461257936554910 -4.4393696178986364

Tc -2.9237478014391716 -0.1607350756139767 -4.6575855112647853

Tc -3.6454307160847095 0.8654633445128975 1.7027504371353701

Tc 0.5353838455586524 -1.6692447168599931 0.4307274142754405

Tc 0.1336052522701006 1.8280406226984875 -1.9046796165505153

Tc 2.6664570751754457 0.2646073940368367 0.6279871361466699

Tc -3.5605902988150686 -1.1952879696292429 -2.5505598162162584
Tc 4.8721909477019452 0.7124468759124672 -0.5942913396783724

Tc 2.4990159435601242 2.7504784106941487 0.9422534402035044

Tc 3.3482410257910651 -0.1302431578460954 -2.9856792851612810

Tc -2.0949973728333546 0.9287737414402110 -0.3230181364880720

Tc -4.0029260536869691 2.6651539510248665 -0.1188153047618350

Tc 0.4365182071243195 3.5326295729822617 2.1968063256739985

Tc 0.5437640560193360 -1.1228726590740832 -4.4061718342737626
Tc 2.8305703755814928 1.8897026748171766 -1.5203209311435928

757
Tc 4.6170573387854246 3.0900909203825253 -0.3535382373078459

Tc -0.9837020607034885 3.6107247805961187 -3.5848122866456751

Tc 0.2135758374633135 1.1750298177290781 0.7669143804891331

Tc -1.5597546082281977 -0.6467215666153688 1.9660155358891367

Tc 4.0486885696680934 0.2393296047841832 3.7796134129178780
Tc -4.1582565776681299 -0.8804993963348761 0.0876340241636634

Tc -0.4996566647367743 -0.5389076114711199 4.4946408036254368

Tc -2.8769577809689459 2.6681103457832367 3.5469917386655818

Tc -1.8342114172459985 -1.6952394569725251 -0.4901028079183818

Tc 2.0997299503856670 -2.2962448839951750 -3.1255720129857441

Tc -4.9412765693526470 0.8502110064409555 -1.3758525375720163

Tc 1.6351813080945448 1.2395497190848579 -3.9682556404130525
Tc 4.5599006858391853 1.5533046947113043 1.7181093261001887

Tc 2.2985968714121792 4.4649815038679366 -1.2301403212624387

Tc 0.3120342901824034 3.7629377185299604 -0.2646561884660636

Tc -1.9431370012020519 3.3827854569670666 -1.3113393925893744

Tc 1.1009144852750321 -0.9381647889494250 2.7027015685871092

Tc -1.9148034969638068 2.9683858836498160 1.4240297433625428

Tc 1.3703550703487337 3.5531093677383221 -3.3137687368519049
Tc -0.6762153421831978 1.4698646319366908 3.2169832600322108

Tc -0.2154008956852626 -2.6869651521738636 -2.2980995207851507

Tc 1.2405377560236879 -0.4263315438222827 -1.5712957317263285

Tc 2.1348301006664117 1.2011308719321723 3.0646063184415291

Tc -2.7946476478919995 0.2590188683136859 4.0430329462410022

Pt13 Tc42 configuration: ∆E tot = 10.33 eV

Pt -0.0137945020153382 0.8760431138923117 -0.3993871453020177

758
Pt -2.5827478715826735 3.4370219800499444 0.9291181094469445

Pt 2.5742597041184681 -3.1077856418143437 2.9337977771997603

Pt 4.3744843844494357 0.7344632231527706 -2.7147578727157700

Pt -2.2330215997973175 2.0609626450386522 -4.2403606104879366

Pt -2.8693836349312249 0.1607519719553547 -2.4405116696020568
Pt 2.2639449861717225 3.4875205616562384 1.0210707542315272

Pt 0.1188904905177227 -2.2586003030052311 4.4236211129919711

Pt 0.6639101572244240 -2.9268015560062075 -3.5691086814062403

Pt -0.2624012006819507 4.5515285839108657 2.0748179037129693

Pt -2.3216089246237352 -1.2734973133886940 3.7918252648432138

Pt 4.7929755680667334 -2.4041058810450728 -1.7499234159242467

Pt -1.5574975742200434 -4.8790509205647012 0.7169306722303921
Tc 0.2679046048861943 1.9222992419457796 2.2270259464873541

Tc -0.1362877507802455 3.4314398332659395 -0.1990631029283001

Tc -1.0094104180205403 -0.5328808934725286 1.6334743116006041

Tc 0.0809751989095078 -0.5280612675138148 -2.5946489444913219

Tc 0.8898684516330718 2.1986888017978452 5.6655172532931815

Tc 1.2850589288262975 -1.4975030257686994 -0.1096057632775511

Tc -1.4584831558549194 -1.4197281925356433 -0.7349299598425352
Tc -2.7241390516539457 0.8925610305409410 0.1078465911847843

Tc 0.1857999141743836 1.5267347741319781 -5.3430598487509178

Tc 1.2423500507246661 4.0556150738911620 -1.9064237013711824

Tc -1.6156631454204735 5.0624492533863101 -1.1724315559950704

Tc 2.3703912354786256 -3.3828046506847493 -1.5671641828275897

Tc -3.0052839498663957 -3.3845981435736032 -1.0391447963241103

Tc 3.8673214296913958 -0.6192711796775205 2.2150440538665248
Tc 3.9224853463306961 -0.3461123674894197 -0.3328623594572464

759
Tc -4.0970975501576579 -0.6278360895315069 1.8603165633714147

Tc 2.5203635458867093 -1.0757506187300330 -2.4272123969569948

Tc 2.3527941015052454 0.9489074172184893 0.8644702730178025

Tc -0.2755146834825279 -0.6893436028028763 -5.0723058397208209

Tc -0.3014966757188983 0.4900179419146275 4.2760185236491983
Tc 1.5389760391969287 -4.2384613332825518 0.5907978615385594

Tc 0.0265027082389164 -3.0280518541925003 1.9234070265727450

Tc -0.2180103365117544 -3.6261487730491275 -1.1159152955068909

Tc -1.6419417774155303 -4.4944697469396964 -2.7888185192496180

Tc 3.5349334878702559 -2.6091575424731599 0.5486740098985551

Tc -4.0945719695014997 -1.1954402039030427 -0.4912169423656543

Tc -2.5753299467524551 -2.5544460840451548 1.3889531566100684
Tc -0.0165593617723838 2.1600893979848257 -2.8675658926066205

Tc 1.5308339768307642 3.5020819580519360 3.7374752387325425

Tc -1.1172017773993543 4.3972160413450183 -3.2518758000067467

Tc -0.8797317962692081 2.9388606499447603 4.1324857144003175

Tc -2.5309406462846029 -0.5585233217842331 -4.9202714882653318

Tc 1.9645755787518044 0.8904299347762732 -3.8633058810163923

Tc -1.8550525250481174 -2.1888114213239405 -3.2732590133373907
Tc -4.4427257177386226 1.6635395052488147 1.5021005991743701

Tc -2.2525371774544323 2.6946697085067743 -1.6680468840010392

Tc -1.7614250705458467 -3.8325025749110608 3.2601092616531360

Tc 1.3600747126407016 -0.9092877935731951 2.5099707676164531

Tc 2.1850261330468199 1.1512095318783495 3.8426391029174396

Tc -2.3331897339180223 1.3674497839443736 2.7835180856791317

Tc 2.2370294244037172 1.8774455635065574 -1.5627561315738532
Tc 4.0313193658445128 1.7090347741454099 2.4549077593904820

760
 Pt13 Tc42 configuration: ∆E tot = 12.49 eV
Pt -1.3128458557291789 0.0699385403196482 2.1599621707556342

Pt 1.5840301176392988 0.2596966544447363 4.5303617437881591

Pt 0.8026005768628385 -4.2680750402256491 3.9658923891493680
Pt 0.5501105943654436 4.3586266951633057 2.1628696969038494

Pt 0.5214253276808445 -2.0185977161271156 -4.8598836216766665

Pt 4.0259426089694701 4.0804917436181523 -1.0561597562872127

Pt -1.1224453303554847 4.3058218936243824 -2.5399517452503440

Pt -4.0659631422841729 -3.5421648237953671 0.0063355347219938

Pt 3.8666504108244504 -2.8399787920017685 -0.3225263489127918

Pt 3.5218575337326596 -0.1703762386997368 0.0448006876158980
Pt 0.7473857033408119 1.1159573326084871 0.4274390108714278

Pt -0.7341258095255208 -1.2956809046568269 0.0058416355963258

Pt -0.0631800521627151 1.8210161298785470 -2.1024718360231529

Tc -3.9044956734349103 -0.2300055830549207 -3.1607711777772445

Tc 1.2953052368176958 -0.5350610693410428 -1.6942420317139029

Tc -3.8798694779700544 0.0356576863656793 1.5760350556246190

Tc 3.6779960629000490 -0.6338961866785441 -2.5373609089559692
Tc -1.5233613846565990 -0.4084726468582968 -2.2813793465808598

Tc -2.6662890592078639 1.9346194418888756 -2.7373283584548873

Tc 1.3963285453309613 -1.2345398266929231 1.7682338657647929

Tc -2.1024690681611053 1.2594272518527287 -0.1584532978531862

Tc -2.1414060744523367 -1.5565125006522289 -4.4036743931785240

Tc 1.3679921521634661 -2.8350667387269737 -0.3910051755305972

Tc -1.3985750406976067 -3.7221163619861408 -0.5675485078573332
Tc -0.6546539786151766 0.6041079008074909 -4.3664849910601706

761
Tc -2.7749264835170657 0.8438058399827933 -5.1420431813819931

Tc -1.9140348293505842 -3.5944928246896777 3.6014732962773732

Tc -2.5397298841714773 -2.4745969632494047 1.7198100925433659

Tc 4.8378489720720586 1.4401193397033116 -1.5637732188112083

Tc 2.1731697435072750 3.3214732411680248 0.5474688722848516
Tc -3.9498205005812466 2.4438731206140583 1.1272383932613839

Tc -2.8806855522724000 -2.7588688330896756 -2.3089832886506221

Tc 3.8997631914453352 -1.4650634941976761 2.1743933072456598

Tc 2.5929483984794226 1.8408001063953108 -1.6612237038565747

Tc 4.0887072404088896 -0.3349676961875695 4.1648483230807436

Tc 2.3398551324951096 -3.5467615451939083 1.8874285185591089

Tc -3.5297677112250816 -1.0230382196821644 -0.6383127449425905
Tc -1.0344455953018321 0.5784767342385814 4.6241937201726993

Tc -2.9804109464544766 1.4961941629774900 3.6232537233794626

Tc 2.3561947452313285 -2.6471779238991968 -2.6846949363376429

Tc -4.4618182138302993 1.1982868792298056 -1.1125190604996633

Tc 2.0812893970110560 -0.1710510227334402 -4.2103306902452236

Tc 4.2706767703908675 2.1779464038592282 0.9151764835353795

Tc 2.3158116814248229 -2.1591627435966667 3.9863918396087192
Tc -0.1745444745095191 -3.4260877323944396 1.7013368885364175

Tc -0.2149038405173369 -1.7743619901074823 3.8020295563682369

Tc 1.4308071515536964 4.0624989391499700 -1.6462221254301919

Tc -0.5644710572627052 3.5061957362563541 -0.1204885838809264

Tc -2.9801613112085055 3.5772298310903596 -0.8036480073996637

Tc -1.7318882705173024 2.9652943554384237 2.0152503815375433

Tc 1.6657859443472764 2.0138083843176142 -4.0209511407557832
Tc 0.3564189946478096 1.9173454111868538 2.9575482920739948

762
Tc -0.3018802002017416 -2.5381573638284372 -2.5038939328358500

Tc 2.8042208380624869 1.0185829189547453 2.3439419081032322

Tc -2.9679542535311239 -1.0429598927876886 3.7567707247805333

Pt13 Tc42 configuration: ∆E tot = 15.80 eV

Pt -0.0169852001854806 0.2839599469220067 -0.0139525432302410

Pt -1.3253207468017931 2.8588741861519518 0.1346651387201572

Pt 2.1252823490230739 0.0734173888997026 1.4436199090031021

Pt 2.2709960618129088 0.0511275184398661 -1.2980558531173845

Pt -2.2627656735899180 0.0168103273922151 -1.3220769236026673

Pt -4.5228555011662408 0.0308491741415872 -2.6200310582921715

Pt 1.3692893775380386 2.8998029495237612 0.0551144305739708
Pt 0.0081127700609330 -2.6641400244321352 4.4450403141790655

Pt 0.0246144517431404 -2.6204360666408553 -4.4325551434973480

Pt 0.0262613449431345 4.7725490369722516 -1.3794671961181937

Pt -2.1664333427714837 0.0664353428844473 1.4570488518810887

Pt 3.8161533326392458 -2.2683875513594236 -1.3754939899713481

Pt 0.0212523944770880 -4.4700643740256316 -0.0325103241876850

Tc -0.0077562894706559 1.5086422491076883 2.3284648746664667
Tc -0.0010160255105233 1.5675615821379560 -2.2298597261428994

Tc -0.0095670037148778 -1.3687945763148113 2.2830665370223486

Tc -0.0000868846488302 -1.3199899735475844 -2.2470532740090774

Tc 0.0493091976490732 2.8273001975784036 4.4798816339440304

Tc 1.3943590821417262 -2.1794725557888901 -0.0076353383825864

Tc -1.3325059376540549 -2.1834022488030191 0.0170958358612346

Tc -4.4659830741352167 -0.4028112666672206 0.2396821511945085
Tc -0.2645321711632035 2.8213997675357336 -4.3710376769666315

763
Tc 3.7474388647071208 4.0062995432306545 0.0012354602656810

Tc -3.6327157634775560 4.0368143409301434 0.0061505252560757

Tc 2.7403648461784158 -4.2914479207967764 0.0824459979265136

Tc -2.7268006764694519 -4.2747482674205832 0.0075306078350800

Tc 4.3838847643956029 0.0029132896809196 2.6599304226375304
Tc 4.2148785439391716 0.0161545877712362 -3.0100611484331039

Tc -4.4472401013461251 0.0566124801379652 2.5551529491263936

Tc 2.2594594253665221 -1.5063256778861591 -3.3794412783196335

Tc 4.4636262977371217 -0.2960614153095725 0.3737050023256057

Tc -0.0297005439217343 0.1193191125574921 -4.3792422027361386

Tc 0.0147131767434960 0.0056708990792069 4.4811296080242693

Tc 1.3955678817638459 -3.5418748722798403 2.1570039097967624
Tc -1.3449385259563653 -3.5316948182223902 2.1812411628206676

Tc 1.4243963235465389 -3.4865784691650665 -2.1742991796717788

Tc -1.3104110785696645 -3.4835440522978152 -2.2175050523396336

Tc 3.6157698938735265 -2.3867908590944245 1.3366172274747239

Tc -3.4863820688911815 -2.2936030818275830 -1.4541933589667497

Tc -3.6080039054765649 -2.3888910906061289 1.2922512172647895

Tc 1.6949478174354626 3.4072000574375076 -2.7216384210642075
Tc 1.6801373386172787 3.3897672141398738 2.7836871245260242

Tc -1.7249097584151796 3.4898129620731320 -2.5950560109040679

Tc -1.7301860477682423 3.3413513933128423 2.8349527237990615

Tc -2.1116553467995018 1.1345073292345100 -3.7231452129884075

Tc 2.2046748081153424 1.1892498335244506 -3.6510606016914706

Tc -2.3466804434603361 -1.5019483016050890 -3.4624889525902645

Tc -3.4995625861582482 2.3095339537091428 1.5342816539831059
Tc -3.4737195424048934 2.3089340239502301 -1.4382905539304236

764
Tc -2.4392605487681323 -1.6036576588406595 3.3575783455260777

Tc 2.3523606878539098 -1.5626414415582266 3.3951378204769953

Tc 2.0744285507167461 1.2383804290089921 3.7966928341664081

Tc -2.0617993073916452 1.1776109982764575 3.8169646618698736

Tc 3.4977011247521546 2.3194775067256694 -1.4918452048257738
Tc 3.4797933883164802 2.2989669420218855 1.4906272938322740

Pt13 Tc42 configuration: ∆E tot = 19.32 eV

Pt 1.0541429670695526 1.3875588799752969 0.9370486650277842

Pt 1.1983387812724249 -0.0462322275753714 -1.4515767084131397

Pt 0.8267207654554820 0.0263062708179814 3.3485169524238616

Pt 3.0386778131665859 4.1119651768926362 2.5971898137478240
Pt 1.1108678473015712 -1.3878843592832819 0.9786597718974159

Pt 3.3730847755362561 -1.2759370133495711 2.6904512408050372

Pt -1.2961485297045201 0.0064557841627009 1.6477626435084489

Pt -1.0288400723549251 -0.0613300690668690 -3.1049376627794896

Pt 3.3569570774599842 1.4389230681110912 2.6058717664475095

Pt 3.5773690747544435 -0.0217252902759143 0.2465695969359449

Pt 3.3405474005775231 2.7850084090662288 0.1440482140335250
Pt -1.1721871763310878 1.4069971252837798 -0.7282292777618505

Pt -1.1329354392331539 -1.4747563634633682 -0.7092101671288359

Tc -3.1984871867411182 -2.7581976575499327 -0.0132700970550737

Tc 1.1174283745477429 -2.5885735026672019 3.3238728988059081

Tc -3.3765766511605428 1.3452483555376464 2.1181420410814953

Tc 0.8894470660690226 3.9907037334816042 0.8900613865915364

Tc 1.1611868347724512 2.6864288853742559 -1.3234800665489077
Tc 1.2633253822583501 -2.7708941310475415 -1.2301487072845581

765
Tc -1.5030775941852752 1.3031853774966926 3.8971465676883352

Tc -3.3807381162828301 -1.2923005491299122 2.2531156929919485

Tc 3.2019443569069024 1.3649944886129768 -2.1533017345389194

Tc -3.5100237489183388 0.0207206487052430 4.3475618508909131

Tc 0.9517766877053297 -3.9597067123304730 1.1296442506906668
Tc 3.2931608085500761 -1.3106787570010374 -2.1641166613924101

Tc -3.2218085780455432 1.4006184545964175 -2.3650164231043931

Tc 3.0830462794529123 -3.8698744425611364 2.4219577930441507

Tc -1.0982821815602335 2.7899672019673036 1.5522628157655352

Tc -3.1885883676921947 -1.5062027111473650 -2.4138393673709242

Tc 1.0134169345920878 2.6468242899175927 3.2756513166811834

Tc -1.1625125470673627 -2.7245484607247508 1.6246295145028267
Tc 3.4441810968240771 -0.0691985493582159 -4.1878669906858015

Tc -3.1415502651725924 -0.0369256129223165 -4.5037427051175021

Tc -1.0993255570300591 2.6491766090399200 -3.0534753403964552

Tc -3.0420448929558894 2.4440359516230448 -4.7098146502042617

Tc 3.2504656179713680 -2.6593348314932204 0.3460650259195953

Tc -3.2401889481882247 3.8289739011900288 -2.2905508664911638

Tc -2.8219961127314797 -2.6728902489676059 -4.6794209280268051
Tc -1.0397852517709352 -2.7707748127478649 -3.0229162400050873

Tc -0.8289403682206564 1.3556280591821916 -5.2068034163790600

Tc -1.0472483768976562 3.9444339656055831 -0.8845353580788725

Tc -3.1891862990803452 -3.9342907192480308 -2.0982283730512252

Tc -0.9128101095415500 -1.3240243084861665 -5.3052391047216858

Tc 1.2814648141768308 1.2054661832217710 -3.7650385118213565

Tc 1.1426632990395336 -0.2434839226621503 -5.9344382886823190
Tc -0.9094393256267872 -3.9988172820159740 -0.8446326355331563

766
Tc 1.2807547076545818 -1.3317828898969717 -3.7471306516193144

Tc 2.8788884744434058 0.1550289736388230 4.8800112164652267

Tc -3.3353880578602046 -0.0582832138749844 -0.0819737500221270

Tc -1.4573794253904075 -1.2237034859055891 3.9551725389240260

Tc 2.8762867636363181 2.6036454636950248 4.9165195164599922
Tc -3.2509514168281477 2.7533636661812531 -0.0977794506947481

Tc 0.7607740921489442 1.5394340424551267 5.4146840485308045

Tc 2.9554534408235353 -2.3860831678516243 5.0317451375612441

Tc 0.8640690624047709 -1.4326576732277783 5.4963518574866974

Pt13 Tc42 configuration: ∆E tot = 32.94 eV

Pt 0.0000001454544787 0.0000001454544786 0.0000001454544787
Pt 0.0000001454544787 1.6179097858011222 2.2243348142145352

Pt 0.0000001454544787 1.6179097858011222 -2.2243345233054193

Pt 0.0000001454544787 -1.6179094948920041 2.2243348142145352

Pt 0.0000001454544787 -1.6179094948920041 -2.2243345233054193

Pt 1.6179097858011224 2.2243348142145347 0.0000001454544787

Pt -1.6179094948920039 2.2243348142145347 0.0000001454544787

Pt 1.6179097858011224 -2.2243345233054197 0.0000001454544787
Pt -1.6179094948920039 -2.2243345233054197 0.0000001454544787

Pt 2.2243348142145352 0.0000001454544786 1.6179097858011222

Pt 2.2243348142145352 0.0000001454544786 -1.6179094948920041

Pt -2.2243345233054193 0.0000001454544786 1.6179097858011222

Pt -2.2243345233054193 0.0000001454544786 -1.6179094948920041

Tc -4.6705095130789651 0.0000001454544786 -2.4061762455440143

Tc 0.0000001454544787 2.4061765364531298 4.6705098039880806
Tc 0.0000001454544787 2.4061765364531298 -4.6705095130789651

767
Tc 0.0000001454544787 -2.4061762455440148 4.6705098039880806

Tc 0.0000001454544787 -2.4061762455440148 -4.6705095130789651

Tc 2.4061765364531302 4.6705098039880806 0.0000001454544787

Tc -2.4061762455440143 4.6705098039880806 0.0000001454544787

Tc 2.4061765364531302 -4.6705095130789651 0.0000001454544787
Tc -2.4061762455440143 -4.6705095130789651 0.0000001454544787

Tc 4.6705098039880797 0.0000001454544786 2.4061765364531302

Tc 4.6705098039880797 0.0000001454544786 -2.4061762455440143

Tc -4.6705095130789651 0.0000001454544786 2.4061765364531302

Tc 0.0000001454544787 4.3879397156639532 0.0000001454544787

Tc 0.0000001454544787 -4.3879394247548325 0.0000001454544787

Tc -4.3879394247548325 0.0000001454544786 0.0000001454544787
Tc 4.3879397156639532 0.0000001454544786 0.0000001454544787

Tc 0.0000001454544787 0.0000001454544786 -4.3879394247548325

Tc 0.0000001454544787 0.0000001454544786 4.3879397156639532

Tc 1.6501514606394476 -3.6398368027108567 2.1584315778499623

Tc -1.6501511697303317 -3.6398368027108567 2.1584315778499623

Tc 1.6501514606394476 -3.6398368027108567 -2.1584332869407650

Tc -1.6501511697303317 -3.6398368027108567 -2.1584332869407650
Tc 3.6398370936199753 -2.1584332869407654 -1.6501511697303319

Tc 3.6398370936199753 -2.1584332869407654 1.6501514606394476

Tc -3.6398368027108567 -2.1584332869407654 -1.6501511697303319

Tc -3.6398368027108567 -2.1584332869407654 1.6501514606394476

Tc 1.6501514606394476 3.6398370936199749 -2.1584332869407650

Tc 1.6501514606394476 3.6398370936199749 2.1584315778499623

Tc -1.6501511697303317 3.6398370936199749 -2.1584332869407650
Tc -1.6501511697303317 3.6398370936199749 2.1584315778499623

768
Tc -2.1584332869407650 1.6501514606394476 -3.6398368027108563

Tc 2.1584315778499623 1.6501514606394476 -3.6398368027108563

Tc -2.1584332869407650 -1.6501511697303319 -3.6398368027108563

Tc 2.1584315778499623 -1.6501511697303319 -3.6398368027108563

Tc -3.6398368027108567 2.1584315778499619 1.6501514606394476
Tc -3.6398368027108567 2.1584315778499619 -1.6501511697303319

Tc -2.1584332869407650 -1.6501511697303319 3.6398370936199753

Tc 2.1584315778499623 -1.6501511697303319 3.6398370936199753

Tc 2.1584315778499623 1.6501514606394476 3.6398370936199753

Tc -2.1584332869407650 1.6501514606394476 3.6398370936199753

Tc 3.6398370936199753 2.1584315778499619 -1.6501511697303319

Tc 3.6398370936199753 2.1584315778499619 1.6501514606394476

Pt20 Tc35 configuration: ∆E tot = 0.00 eV

Pt -1.5011686013418186 -3.7280073202210411 2.3040079623375247

Pt 1.2933975613302298 -3.7043649369466212 -2.2088100931611816

Pt 1.4711035352807815 3.7667960436139944 -2.3262774677794287

Pt -1.2876714897278487 3.7086621762018250 2.2071011256922013

Pt -2.3202919095977190 1.4930028823073784 -3.7027965891448495
Pt 2.3164646210494828 -1.4779658607634945 3.7321811988957765

Pt 3.7681482012506278 2.3226844475212243 1.4278137165068061

Pt -4.4245708635843313 0.0267903606613626 -2.7018888491570339

Pt 0.0248063088989267 2.6803081629387804 4.4516284726842281

Pt 0.0403169786353068 2.7035632871109549 -4.4290630562585971

Pt -0.0467698592036754 -2.7010924690250775 4.4273646338826831

Pt -0.0148711738280431 -2.6684228984424241 -4.4561080121123853
Pt 2.6989655917036242 4.4343136104868179 0.0402900849084032

769
Pt -2.7732584471456097 4.3877831062973698 -0.0522691067707888

Pt 2.7650264988131412 -4.3984428449652002 0.0580707926517016

Pt -2.7044434397818251 -4.4363616314426100 -0.0627951766628026

Pt 4.4243645454335399 -0.0330173571387265 2.7089898028375505

Pt 4.4054928771117012 -0.0372062622375156 -2.7316952329076316
Pt -4.3932201042319061 0.0314326470474315 2.7490169660800929

Pt -3.7685714160871457 -2.3477761208257784 -1.4820917908553213

Tc 0.0009130730153617 -0.0016715414763194 -0.0004991335707379

Tc -0.0037362610633548 1.3884817286900415 2.2506196117815378

Tc -0.0203760154340167 1.4171005609536231 -2.2151430750651939

Tc 0.0225517755222629 -1.4077294502533197 2.2193615698565470

Tc 0.0144968353722703 -1.3831146516213888 -2.2537515131362449
Tc 1.4258512356735069 2.2398462507178611 -0.0028222393859021

Tc -1.4028737305634211 2.2442899272250956 -0.0000765803228863

Tc 1.3980960648798240 -2.2494068986893572 0.0045886222995981

Tc -1.4240453931062846 -2.2455533994248045 -0.0018001143397333

Tc 2.2121798638934154 0.0127903538094318 1.4185197098864717

Tc 2.2537373334613453 0.0042456943258331 -1.3823638161938634

Tc -2.2423356673611261 -0.0136874840159277 1.3965934910496975
Tc -2.2087797414606256 -0.0173679223008468 -1.4136487215162108

Tc -0.0479400520962941 4.3407837145373245 -0.1721734211064481

Tc 0.0423418030250113 -4.3464847905488861 0.1701580501831609

Tc -4.3475448471328608 -0.0592231840079942 0.0286060018439275

Tc 4.3652303693962340 0.0026004439857592 -0.0084761382371308

Tc -0.0017401570943654 0.0241987636396265 -4.3501462833911386

Tc 0.0167479353018807 -0.0123667497377653 4.3589813691869557
Tc 1.2821123723196719 -3.5731829727153821 2.1580140663874929

770
Tc -1.4368014219733014 -3.4121882537347696 -2.2631871272254629

Tc 3.6541602751215114 -2.1654766252429356 -1.1813061859681833

Tc 3.5620365408993133 -2.1500248803661473 1.3192440579954543

Tc -3.5917791036502242 -2.1614890468933567 1.3007498865453513

Tc 1.4464135132534024 3.4205467447423530 2.2544193635146863
Tc -1.2781259492409738 3.5838379786590293 -2.1543253596139555

Tc 2.1959973994057025 1.3310541608850086 -3.5092644985818713

Tc -2.1644941584118373 -1.3336253926701105 -3.5317589192094703

Tc 2.1271593130707060 -1.2187863707068445 -3.6689237154202425

Tc -3.6495813885268329 2.1588035210150833 1.1900269105873094

Tc -3.5835997405293485 2.1240539355480479 -1.2899524827717195

Tc -2.1823771174776954 -1.3084858010008833 3.5417173966561526
Tc 2.1674712887096241 1.3394674249339660 3.5289253148641899

Tc -2.1204629669977950 1.2280605263277038 3.6682366110829125

Tc 3.5458473048218693 2.1770246632326007 -1.3618120903320010

Pt20 Tc35 configuration: ∆E tot = 2.48 eV

Pt 1.0767275886356489 2.7292369807544383 -1.4584019863234978

Pt -1.2503371394362419 1.4982944896113954 3.9753673496048481
Pt -3.4475930235604682 -1.4469221499078873 2.1889138855306181

Pt 0.9963652428803756 -4.1017017239370830 1.0219121517295982

Pt -1.1918522261605915 2.8459589328041051 1.6179917734352911

Pt 3.3038549502830228 1.4402577317832874 2.5600604479147950

Pt 3.5133002519918399 -0.1311364443800854 -4.3130128660945637

Pt 3.2878967601260451 2.6411393625119546 0.1302406857922010

Pt -3.1841683744094609 2.5141632228152528 -4.6991015280439301
Pt 3.3543600734235768 -2.6850642031966578 0.3014645065742369

771
Pt -3.3500563213114503 3.9651921053977710 -2.3504678686733671

Pt -3.0508511323950689 -2.6720281597697615 -4.7184541354806422

Pt -0.8024609183061019 -2.8132057997673034 -3.0290897608591290

Pt -0.9183533084807384 1.3342248092649898 -5.4748102175961071

Pt -3.1607624387095759 -4.1052871434452207 -2.2483704116163530
Pt 1.2817352004042257 -0.0861696267856423 -6.0088534178054847

Pt -3.3237815797644732 -0.0158919602696937 -0.1602132785856848

Pt 2.9392877023840396 2.8916205795119589 4.9469719258384153

Pt 3.0059374897092517 -2.3214627055669825 5.1119374285859696

Pt 0.3937656132338206 -1.3489435198734478 5.5100560661595086

Tc 1.0241328675135044 1.2636405482686850 0.9654943870070487

Tc -3.1774224215383406 -2.7100312037590566 -0.0951426370428745
Tc 1.0166794389270610 -2.6998657963983210 3.2971941963353713

Tc -3.2453604981338748 1.2030374092482508 2.2713950261333844

Tc 1.2504427880073830 -0.0024221095535027 -1.4739130355254599

Tc 1.0984997701777046 -0.0015723103869814 3.2810571639637320

Tc 1.1032821487545688 3.8908982394153186 0.9453636326503191

Tc 2.8847620740111863 4.0510615940382042 2.3882857589901541

Tc 1.2060618510031220 -1.5364117068813856 1.0128538452859512
Tc 1.1682052475844207 -2.6602509450387499 -1.3013795277901048

Tc 3.2560897419857331 1.2528958709932929 -2.1332308806556002

Tc -3.4577383105380011 0.1515538926768407 4.3619526207560195

Tc 3.3294925847839951 -1.2631809638083900 -1.9628314852085151

Tc 3.1791958984542741 -1.3982483580906542 2.6708117735843082

Tc -1.1665636570784079 -0.0457708821855545 1.5837634864692305

Tc -3.1498100732142613 1.3608265801195774 -2.3713344238805778
Tc 3.0391209510265353 -3.8168075509246560 2.7650235024434222

772
Tc -3.0730760164305360 -1.5073877574537233 -2.3886932648766299

Tc 1.0434367614117062 2.6832032137036772 3.2029201219969292

Tc -1.1080388629377984 -2.6237719523073606 1.7051788811311539

Tc -0.9705158782781290 0.0363506303969630 -3.1522141384719893

Tc 3.2015818530993712 -0.0018738642036308 0.3048600010726651
Tc -3.0512296838907731 -0.1297204673544830 -4.4996291905516799

Tc -1.0507917351697704 2.6184207937621626 -3.0110651643646502

Tc -1.2139414372146233 1.5434700819606995 -0.7196292400824237

Tc -1.2600400230904341 3.9662498847780507 -0.8210062266374375

Tc -0.8785370114444248 -1.3302334496080088 -5.2425975514585694

Tc -1.0704811897464555 -1.4603442431686415 -0.6455097218063101

Tc 1.2431772544305972 1.2435215049728487 -3.6976434290985387
Tc -1.0813131890731602 -3.9361770218120489 -0.6175120158944435

Tc 1.2666026884691783 -1.3073177850976041 -3.6307408723965335

Tc 3.0244940007749972 0.2368565147478128 4.8215601201747891

Tc -1.5072554590892273 -1.0989108089651460 3.9242716644310467

Tc -3.3091155203592759 2.6686218481735549 -0.0784283443231443

Tc 0.9629586362744741 1.2274157921865729 5.4363742175532446

Pt20 Tc35 configuration: ∆E tot = 4.73 eV

Pt 1.9327727126566125 -4.1702682747202751 -1.2806270141713987

Pt -0.6755806295706038 -4.7605585239716444 -0.5510217877740464

Pt -0.3944722681639639 1.6238895635870925 -4.7785332081311775

Pt -3.6446036244725963 -0.8031559833668972 -2.5435700395566840

Pt 3.6357783368077810 -0.5409265766743007 -2.9617356015327894

Pt 5.0212744893822672 -1.2690054029563813 1.5345047879986167
Pt -0.7482096705708049 3.7816644490911817 -2.9153560666824632

773
Pt -4.1777522160373604 -1.3742627251062305 0.0139647952592473

Pt -3.3183386183953631 2.2511981634418499 3.6350706382323494

Pt -4.1296060136947697 1.1994211087633795 -0.8736088133228495

Pt 4.6734476149382607 1.5288658242923081 1.6184997686798506

Pt 1.1338596600610342 -3.1494300036672938 3.2932038809692492
Pt 1.8112411163792075 4.1321961850658919 -1.4553806222564885

Pt 1.1726528486745149 -0.2503845659282949 4.3792860610390134

Pt -4.2245899214385254 -0.5467612253577955 4.0755221626781362

Pt 5.0433356041366286 0.1939008076005907 -0.7626563933357990

Pt 0.6231239367136395 4.0533267062554561 2.3132128613339740

Pt 1.9458262975599034 2.7825201154148247 -3.8353155326929018

Pt -0.1798236563234191 -3.9609318564016562 -3.1406353211984417
Pt -1.2816537253150218 -3.9742245739381064 2.0096773033818085

Tc -2.0529036445706503 1.5603178854156690 -2.7144803066834235

Tc 0.0132531893863176 -1.4489013697355633 -4.6016412335455366

Tc 3.3559562877509377 1.9183754625629670 -1.7988277907698755

Tc 2.5639866899131167 0.6930938490441075 0.2704345168458430

Tc -2.2317007725549720 -2.4568421407096346 -4.1349561698176673

Tc -1.0628603372772985 -0.8245198337430403 -2.3941212051565199
Tc -2.2057443597269510 -0.2401411594463517 -4.6892522677159567

Tc -4.5352133535784800 0.6449701943903755 1.6722504654360641

Tc 0.2884098632411333 -0.2830862899601755 1.8825963107736139

Tc 0.4368719163865497 1.8302226685564322 -1.6660582449260604

Tc 0.8001977186497201 -3.0657583602301242 0.6886105434449251

Tc -0.9843500898366199 -1.7195648729690958 3.4069860387704241

Tc -3.1901746117013139 -2.1756778179904437 2.4592113955535506
Tc 2.7809973185990948 3.2132500702749751 0.7597188713096485

774
Tc -1.5338464005665695 0.8998512260775607 -0.2588536167224407

Tc -4.2830435513175855 2.9396238911656956 1.1207517945555709

Tc -2.1162622146054249 -3.0082652583810083 -1.6436516576920539

Tc 4.7886204333710412 3.0654752938103367 -0.5968689103391240

Tc 0.4832576652986348 2.0089508300055119 0.8512628162586702
Tc -2.3266408043140157 0.2852187074743117 2.1729135234795178

Tc 3.8275958212077534 0.0020668165632641 3.6317640726724485

Tc 3.2531541121500496 -3.3316704498320289 0.9914801123639861

Tc -1.6658812448756701 0.0537885751523643 4.6786218936557873

Tc -1.5607941912040595 -1.6303602413786369 0.4375241876475379

Tc 1.4607360421075029 -2.0985298723641739 -2.6828069826078513

Tc 1.2697650529616393 0.3342669069297000 -3.3837217905872654
Tc -3.2487152630389264 -3.6953726929835540 0.3444353757754064

Tc 2.5993659335560877 -1.3012467516383652 2.2401051338614071

Tc -0.4627411186053745 4.0818980938633969 -0.1998476566142693

Tc -2.5824532712990385 3.2913141984076821 -0.9649198120092135

Tc -1.9643050530450790 2.9193373705013843 1.5148188745133682

Tc -0.4309527267366214 1.7436973387837258 3.3830153473310407

Tc 3.2749250292729557 -1.7112550795967132 -0.6554532304971332
Tc 0.8071048661213326 -0.8756910168736428 -0.6140232401722479

Tc 2.2157027955533635 1.6340906174293965 2.7184809826906235

Pt20 Tc35 configuration: ∆E tot = 7.44 eV

Pt -0.4705818741294008 1.3976727291188178 -4.8870936255844342

Pt -3.4134359486066059 -1.3718419000145641 -2.6300933490042850

Pt -1.1124881422533646 3.5252730400217627 -3.2809801323617527
Pt -4.2917239890691121 -2.0516250947242618 -0.1590393176570857

775
Pt -2.7708168648341407 1.8311419194522636 3.4539745488517966

Pt -4.1764987391181538 0.5347123340126652 -0.8968427381733641

Pt 2.6076863589088761 4.0028090740022595 -1.7720826623251178

Pt -3.9460015962119139 -0.4460775382970885 4.3136352796837434

Pt 1.1877149416612909 4.0516825934611687 2.2911502508898849
Pt 1.4280908448746190 3.1163763016180321 -3.8964201657619499

Pt -2.9925781120176320 1.6112311294872863 -2.9348785863223967

Pt -2.4671916321002940 -0.4089181359757687 -4.8904036779175666

Pt -4.9989343643144606 -0.0313988769830510 1.5535079272809855

Pt -4.1599906374849231 -2.5232150826533988 2.4898194933655891

Pt 3.1904202342959573 3.2258217846628718 0.7843927418067972

Pt -3.6949811088082578 2.2607553305698636 1.0042189152243060
Pt 0.2637708833785534 4.3465468143949142 -0.3351021454435335

Pt -2.2452171194733812 3.3242424968021305 -0.9532950306666717

Pt -1.4042687596324732 3.3803619168287535 1.6360136278289112

Pt -0.0992901259982169 1.9946364360578108 3.5484508229000706

Tc 2.8662771640934959 0.3830766446013659 1.0400602657239304

Tc 1.7982505373293303 -3.8241002694532975 -1.3147238254736116

Tc -0.6776143182638302 -4.1351939036666963 -0.3323241838870621
Tc 3.8872775455574473 -0.3187542137495435 -2.7121939344116588

Tc 4.6263172095713676 -1.5126066198916919 1.2628459692135057

Tc 5.0663087293710092 1.6252366657556430 1.6348496657102520

Tc 0.2417410706615239 -2.2986536044785768 3.6598544954879264

Tc 1.4547259248335211 -0.0912413974511940 4.1910062293049108

Tc 5.1147324911860848 0.4215356636832661 -0.3703400879434496

Tc -0.3301854337011270 -2.5447860641313436 -2.2032530060427939
Tc -0.0057073468810979 -1.2717384681795725 -4.5532713309513779

776
Tc 2.8050539603225610 1.4770164375357753 -1.3574182916904356

Tc -1.5103423512486975 -2.8367221028234266 1.8031141343608221

Tc -1.7399439844307827 -2.8453656615161274 -4.0663772115471675

Tc -1.0183847591341892 0.0878589833555537 -2.6283153903216294

Tc -0.0626701395261598 -0.3062902886230984 1.9327345818509474
Tc 0.2571763784139109 2.1044851432160683 -1.6498241252022934

Tc 0.9383373320526771 -2.4676903643393073 0.6668362591336245

Tc -2.0773972134019014 -2.4255915001633328 4.1629954296031206

Tc -1.6562426691659071 0.9578474690598717 0.0050349391568647

Tc -2.7544875713825303 -3.6218959918965612 -1.5104551097621262

Tc 4.8394959250601994 2.7172779956867528 -1.0897018158371155

Tc 0.6896039949301850 1.9496408105288225 0.7726562531003230
Tc -2.5699567726933581 -0.4929115856777561 2.1239829556727678

Tc 4.2007762574234144 0.1254362148085158 3.2185468117672866

Tc 3.1662223493276209 -3.5442933546173290 0.8109389953580457

Tc -1.3023592366693777 -0.1804872614737833 4.2561570898351331

Tc -1.7407163517210076 -1.5145053956781005 -0.4073207554710965

Tc 1.9449915034802474 -1.8532977323907114 -3.0942086046923873

Tc 1.4441227516896578 0.6239246316807270 -3.3334550653759707
Tc -3.1500819391639499 -4.3197107625652533 0.7149984403125911

Tc 2.4725217822383292 -1.7045912640427605 2.5616492006346401

Tc 3.1435403857901703 -1.5676450710034153 -0.7840778894277356

Tc 0.8194631476388331 -0.3928951641822591 -0.8769828638988262

Tc 2.3854693973453651 1.8274441102403125 3.0270495990961179

Pt20 Tc35 configuration: ∆E tot = 10.14 eV

Pt -3.5309001299561560 1.7162496160637430 2.2769400071566972

777
Pt 3.0762422099890063 4.1314930002222363 2.5646856168285779

Pt 1.1343257461606280 -1.2690364575895066 0.9918325175963549

Pt -1.3894719437065612 1.5008146534696141 3.9395387877369670

Pt 3.3607470237814523 1.3851559610594297 -2.0839912609095115

Pt 0.9422777679194834 -4.1344666808174821 0.9822257182489272
Pt -1.1347746270723622 0.0839973069894785 1.6745589795733276

Pt -3.4296788020004159 1.1794538092131663 -2.2538280540453517

Pt -0.9537409961992713 -0.0922592487790045 -2.9938129493320176

Pt 3.2275031693399998 -2.7048661934564247 0.2036754510109409

Pt -0.8059128183900151 -3.0010316546564133 -3.1917311523788623

Pt -0.6826609946955462 1.4668687225507013 -5.4368350151754630

Pt -1.0212494847696121 4.0623671952686662 -0.8079054952452775
Pt -3.0956765374790138 -4.1789817393916247 -2.3137837640533565

Pt -1.0684137879819791 -1.2617418857856391 -0.5784763578677743

Pt 1.2817623018476625 -0.2521064161879543 -6.0510156940884920

Pt 3.1562228933004208 0.0364165521812187 4.8910057467477932

Pt -1.2880191092628039 -1.2651007158284715 4.2858329445210952

Pt 3.1033035624206993 -2.6543853320396553 4.9498840685512215

Pt -3.5330321489899226 -2.6617877258296532 -0.0973261684200959
Tc -1.1823957542894405 1.5000070308498765 -0.6550292814968182

Tc 1.1185958473679063 1.4983432011591797 0.8722111382135428

Tc 0.9777263166405314 -2.5737768847491735 3.2553137877460880

Tc 1.2628413876071847 0.0464657119138801 -1.4494506130282079

Tc 1.0852085327872387 0.0621843490181966 3.3445164792656570

Tc 0.9613738888192684 3.9649066412258529 0.9642588929132208

Tc 1.1412401153912706 2.6622939500404099 -1.4604386033087948
Tc 1.0798560086687925 -2.6725528732451829 -1.3698023293786497

778
Tc -3.2543528041747165 -1.4027558125531092 2.1759843232208365

Tc -3.5320631956160575 -0.1659500927217668 4.0872617750555911

Tc 3.2924851793429641 -1.2926833218841880 -2.0668575094834090

Tc 3.1885166542925525 -1.2956829658214288 2.5882236800430993

Tc 2.9917795208211015 -3.7771885952999114 2.5872485156763894
Tc -1.1983322198938093 2.8067635769516790 1.5332481891118754

Tc -3.0457184707433642 -1.5909591107085337 -2.4794342941122904

Tc 1.0002791438594727 2.7243588289560452 3.2375517707981403

Tc -1.1394695750903971 -2.6308676681667529 1.6477907860932954

Tc 3.0842375181691661 1.4835762385282552 2.5709152660548162

Tc 3.2845679546397362 0.1020577317760541 0.3018912204333391

Tc 3.3295233460795637 -0.1855619585327158 -4.2531100049336441
Tc -3.1130564524063726 -0.1540617460047674 -4.5045273374227124

Tc 3.1955418849900914 2.6726202206370773 0.2915801355402541

Tc -1.1358953435149703 2.5838687566331182 -2.9856029131276665

Tc -3.0385687770640750 2.2563916160486812 -4.6659003486979493

Tc -3.1160441264857983 3.7453214759561742 -2.5670336724083374

Tc -2.9223544998864073 -2.6202248592786326 -4.6817001326009349

Tc -1.0143679192943955 -1.2679780845503381 -5.2433850545968808
Tc 1.3399032780879916 1.2161066243649508 -3.7467176077379505

Tc -1.0917229936364337 -3.8562510793215385 -0.6203507555179735

Tc 1.3063528286293500 -1.3734323825087988 -3.5805458586083949

Tc -3.3406200915832733 0.1485239751511870 0.1860489874696063

Tc 2.7402219428804098 2.5715119452654394 5.0248119033578327

Tc -3.2927513578500540 2.6803956184599982 -0.1332763996666401

Tc 0.8091786258420743 1.4205462716563713 5.4156498859433828
Tc 0.8794303123572014 -1.3733690959020113 5.4271820527345920

779
 Pt20 Tc35 configuration: ∆E tot = 11.80 eV
Pt -0.0069661274886470 -2.7607779374057726 4.3848276573367251

Pt -0.0604536153535437 -2.7430039913308142 -4.5204816259566982

Pt 2.8699189222626109 4.3684551363690245 -0.0556599646391607
Pt -2.8793772408787346 4.4025116239705611 -0.0590502641580260

Pt 2.9167301385357196 -4.4414474623806486 0.0460535677792913

Pt 4.4155577295734973 -0.0609581383139600 -2.8647281209986653

Pt -4.4362195003758105 -0.0003631421533187 2.6351521472787778

Pt 0.0216122141031641 -0.0234842311339706 -0.0316106476523157

Pt -4.4414807380818768 0.0325611832275814 -2.8274465423728676

Pt 0.0117915416767853 2.7962386226790614 4.3624370556675967
Pt 0.0043815197784359 2.7085054782173246 -4.4949017556047810

Pt -2.8576276444715178 -4.4218705472780355 -0.0360696035225941

Pt 1.3631906755465519 2.2572422472308427 -0.0303940652925703

Pt -1.3292957249856880 2.2926609577993791 -0.0675083143045077

Pt 1.3762929631307186 -2.3295107860012862 -0.0945549445620098

Pt -1.3107818628887977 -2.3176381116809170 -0.0592443066729776

Pt -0.0093264544874709 4.5987133995289966 0.8236626725103179
Pt 2.2111996116098318 -0.0321792846456205 -1.5022802758945863

Pt 4.4345966250812516 -0.0146309003902648 2.6574935160502635

Pt -2.1941909524420073 0.0146308992813964 -1.4744298612403692

Tc 0.0005229536662095 1.3953051519382116 2.2840095514910912

Tc 0.0072351727733336 1.3842868635282406 -2.3784304737498490

Tc -0.0054548496782794 -1.3640958634804565 2.2884737527775578

Tc -0.0171477869202914 -1.4464308475164291 -2.3630924615450364
Tc -2.2179379534671901 0.0036163491656191 1.3766245179230556

780
Tc 2.2334603603409713 -0.0129038461578997 1.3854710817439202

Tc 0.0013451365446880 -4.5010088830940598 0.8876542180856357

Tc -4.4257219847112887 -0.0008929974881151 -0.0773472467413800

Tc 4.4480776750010387 -0.0015786221288281 -0.0573521448988060

Tc -0.0947586868901539 -0.0310153014194446 -4.5034781317415815
Tc -0.0220813529433761 0.0171976565962888 4.3958240661138959

Tc 1.5084604258363239 -3.5372951496747715 2.3221505812532528

Tc -1.6098362535308794 -3.4938443826708818 2.3022903390160039

Tc 1.8962459201515656 -3.2699452551236812 -2.5393871597515103

Tc -1.8376861237714039 -3.3524931224730437 -2.4883669192466527

Tc 3.8139637537254365 -2.1844855679051292 -1.0861346504078193

Tc 3.5504952314788620 -2.2652839025325169 1.4003721760180470
Tc -3.7307232883923671 -2.1538897195065370 -1.2282584854143594

Tc -3.5782535999329359 -2.2093079452298636 1.2939863546524804

Tc 1.6481461679583518 3.4083870838675017 -2.4315221028415270

Tc 1.7381815405159204 3.4455163773924515 2.3435485237331255

Tc -1.6763077117859635 3.3889480104505738 -2.4652650070297506

Tc -1.7650762030805351 3.4119332295626421 2.3273089864377829

Tc -2.2607180226245274 1.5418745988861919 -3.5978978862169386
Tc 2.3034968827841036 1.6073683760843898 -3.5393484462405138

Tc -2.2230857989789299 -1.4050620604359640 -3.6457223264234342

Tc 2.1924946312850828 -1.4057805746809888 -3.7087835225688832

Tc -3.6098058426152351 2.2188135247245135 1.3133543938415941

Tc -3.7788113823827540 2.1420315802388981 -1.1716270305856418

Tc -2.2217213099369872 -1.2896614605461096 3.5444937870878510

Tc 2.2192352476497890 -1.2759975155655245 3.5723220006704981
Tc 2.1690665570984402 1.2895231156951177 3.5970341781566657

781
Tc -2.1636759895700650 1.3179544013320588 3.5877394331326640

Tc 3.8405458636015588 2.0688173813143687 -1.1278676050183909

Tc 3.5682785409570195 2.2337443012636133 1.3959573345361129

Pt20 Tc35 configuration: ∆E tot = 14.35 eV

Pt -0.2103474611037896 -0.1450851828290166 0.4562152619418499

Pt -1.4611783095510051 1.8231731665128059 3.3929627264228501

Pt 0.0340482890244447 2.7818864848030316 -2.8339625953118013

Pt 0.4731481105844190 -1.5901792643717245 5.3317933072373247

Pt 0.9247250018184739 -2.3243712616040706 -4.4972079318454359

Pt 2.1111069375276510 1.3292594685907915 -1.7225703966534103

Pt -3.3770321560688887 5.3013856504927723 0.0251376686144906
Pt 1.8736423429210869 -3.5694031583544192 0.7641511098370367

Pt -1.3014572199078429 -3.3713827503807239 -3.2839883079308900

Pt 1.8889859562164670 -0.0886843515653045 2.0756562770379907

Pt 2.7840453478439424 -1.0536956754282980 -3.1426129939967096

Pt -2.9266325099270403 0.8934480876665652 1.2432118900458788

Pt -3.0015350536479910 0.9213912611193246 -1.7406180604967196

Pt 3.1336682689556628 4.5284740158425860 3.3758976518303880
Pt -1.6761591753866203 -5.2942532285641644 0.5737631332018910

Pt -0.6925786532390229 5.4484029043361533 -0.0181493942637986

Pt -0.2900682396633324 -3.5482894819418171 2.4145808749373687

Pt -2.8944502788777036 -3.0906820889444320 1.6471464765584205

Pt 1.0904997815798634 4.8244867184692941 1.7271735641216790

Pt 3.9041520326060328 0.8362977743383244 0.5537357347831579

Tc -3.0680553031959672 -1.6103983343707124 -2.5663194830161862
Tc 0.7869269081782985 3.2336207175589711 3.9242172241151132

782
Tc -0.4150339368714070 2.2454293584340892 -5.3387994857847119

Tc -1.8487847820352032 -2.5696769028244009 4.2512942820213864

Tc -1.3549060669250295 -1.0724500427836228 -4.6264826594998585

Tc -1.8632879455080575 3.4679411614253661 1.3514483627242764

Tc 1.7325431763967796 -5.2384831640416776 -1.1017431561136510
Tc 2.8007831023356808 2.0382636427817848 3.3010849129616981

Tc 4.4693538831911166 -0.6026517792722789 -1.3869986700504506

Tc -3.0193007609926208 -0.9050867147689877 2.9686925352529565

Tc -0.5557245342931835 -2.9520333487767476 -0.1037715181569165

Tc -2.5278817434283711 -1.2595769851794554 -0.2220034134187567

Tc 2.1226084185586225 -0.9853120666579257 -0.4809164690536675

Tc -0.0245431782480664 0.2154698635657141 -6.3735448257256007
Tc 0.8503993163595766 0.8060047116540517 4.3563489052879669

Tc 1.9563821581643064 -2.4231513331003036 3.1830055708922584

Tc 1.3294133893132978 -2.9981275297108447 -1.9475518758658299

Tc -0.3780231723640780 -4.9888877430708556 -1.5587832937079997

Tc 3.9484161107109839 -2.7227551582622174 -0.8323823627308223

Tc 3.6684250835518069 -1.8237119383557423 1.4036972689688967

Tc -2.9317556595970964 -3.5008497950354323 -1.0118348175409255
Tc 1.0341774357655353 3.4193945771740584 -0.5140095011541631

Tc -1.9974473550697793 3.8904795202475828 -1.6951886168408066

Tc -1.0373335668147234 2.1720715947618228 -0.3890718905240912

Tc -1.8909922292391652 1.0617314532880402 -4.0146954862442197

Tc 0.6552284014457991 0.4005544421934087 -3.7740891645793018

Tc -0.6877683344227509 -1.1354243138307423 -2.0340669446883570

Tc 2.0148314514457231 -0.3211107284547783 -5.6614396282516424
Tc -4.2195822286973161 2.9984253391668725 0.8243897517521376

783
Tc -4.2132039623704394 3.0843294789635234 -1.3786585794227388

Tc -0.4489017271370689 -0.8730679855264548 2.9708358242191677

Tc 2.8653841680351815 -0.6302990667292873 4.3850969149601520

Tc 0.7346126488288650 2.2067371346369304 1.6964049272005051

Tc -1.8853506670730864 -0.3234539694605994 4.9437537188395480
Tc 3.0118084902970286 3.0838768161731762 1.1097656471030659

Pt20 Tc35 configuration: ∆E tot = 15.99 eV

Pt 1.0818565998291656 1.3920768378247228 0.9092829142914014

Pt -3.5605836390030539 1.3572164133022826 2.2410001270712314

Pt 1.2336806481982134 0.0057464072365905 -1.4556284364055074

Pt 0.9661863682362808 0.0175517442677370 3.2723955860802061
Pt 1.0850528056783064 4.1686641713338206 0.7719965410683494

Pt 3.1858671038559678 4.0085984424987204 2.4860143892847479

Pt 1.0855491999935845 -1.4051330878315722 0.9304457558083565

Pt -1.3487828925644463 1.4748893178267894 4.0594038206396430

Pt -3.4609874624116221 -0.1611089231197029 4.5114356904480912

Pt -1.2456311047158199 0.0257746379773737 1.6368846380032156

Pt -1.2386045256205400 2.8906114811181771 1.6523353063966884
Pt 0.8233877735434205 2.9057768614771429 3.3368385237283569

Pt -1.0133037216366887 -0.0331449091842115 -3.0982818457657495

Pt -3.2148524931928013 3.9510963316667085 -2.3534721053713419

Pt -1.0983939322576264 1.3610054555321909 -0.7355209868221724

Pt -0.9313059432061224 4.1198588951140236 -0.9521542257347182

Pt -1.1363490451983269 -1.4529877196382694 -0.6893520500166244

Pt 3.0529715955735202 2.6179084139009494 4.8822277954197668
Pt -3.4834993636579532 2.6241774403965592 -0.0678416127115780

784
Pt 0.7927778505564866 1.2827433144803364 5.7031930170256038

Tc -3.3308404415434567 -2.5941959379399226 -0.0831032035226405

Tc 1.0565153930445450 -2.6821030678486610 3.2610889618514127

Tc 1.2990587064483159 2.6965344546779937 -1.3647809805707807

Tc 1.2490931395875489 -2.6900783284622065 -1.3181670893445792
Tc -3.4351935297237062 -1.3476543252263389 2.0918269811941039

Tc 3.2316088701563879 1.4058804285700932 -2.1768852885043297

Tc 1.0223291890469901 -3.9554411939797918 0.9125207875413612

Tc 3.2327121095422329 -1.4033913218429224 -2.1148254075290245

Tc 3.1396768336231724 -1.3517699086795183 2.6701768437179489

Tc -3.1907560425871613 1.3153583817120480 -2.4910021855958804

Tc 2.9870799248214057 -3.9144504565646407 2.3813610980717073
Tc -3.1476368791916309 -1.5590716385927030 -2.3943367498682053

Tc -1.3239810571337194 -2.5675473233032733 1.8790848383387870

Tc 3.0435337356873529 1.4692458834230575 2.6211521319626074

Tc 3.3088475179621257 0.1073810557382529 0.2245438824604515

Tc 3.3990105312032179 -0.0241154091726176 -4.2563843755651858

Tc -3.0969975485102816 -0.1246777963292018 -4.5179026555471005

Tc 3.2879025013834449 2.5401406957186325 0.2280009966002707
Tc -1.1009851910743595 2.5993095127313341 -3.1342655847382761

Tc -2.9821347034397045 2.4432069825155525 -4.6736646125419341

Tc 3.3258030808561783 -2.5132614083836087 0.3701945241135950

Tc -2.8589400538077259 -2.6595688511297713 -4.7021102447551630

Tc -1.0140393214420698 -2.8134119314044894 -2.9481178586059547

Tc -0.8175306215566069 1.2196657500288426 -5.2719145458834715

Tc -2.9314811551033166 -4.0879851098830704 -2.1308797948672753
Tc -0.7857881568959644 -1.4615579266753220 -5.1876519252933457

785
Tc 1.2258849720281240 1.2444580658006594 -3.8189243628591858

Tc 1.3425980223726577 -0.0709358017687553 -5.9261744520370954

Tc -1.1238079944998369 -4.0088083913401356 -0.5674920135333621

Tc 1.2777246674703773 -1.3102990781076049 -3.7570185639340612

Tc 3.0388185047682041 -0.0254914745749206 4.7609906226549823
Tc -3.3144004929191602 -0.0229137512525661 -0.0070433605270280

Tc -1.2412284293707661 -1.2612592944481207 4.0058746808270342

Tc 2.8950235269360975 -2.4201981474342937 4.9861514801671412

Tc 0.7574845698611500 -1.3223148627523866 5.4084745836845052

Pt20 Tc35 configuration: ∆E tot = 17.77 eV

Pt 0.5733525261430000 -2.1938197344945145 5.2008774517975818
Pt -0.3714669060156394 -2.3912028187829732 -4.1618697149142436

Pt 3.6774828877831682 3.8463948155554339 -0.1415537787452031

Pt -0.6694077948009117 5.5802524975761933 -0.2394321959343028

Pt 3.0950445547698382 -4.3149910419903872 0.4483491223427717

Pt 4.4853346309176096 -0.3804406094645334 -2.9144840553870281

Pt -2.2723772217121025 -1.8195063574937562 5.1659222671832676

Pt -1.4017257940874976 0.9868890341476897 -0.4794204391713476
Pt -0.5042636178258199 0.9580929112184114 2.1553414355835594

Pt 0.7781686295123723 1.6298983895727923 -2.2251975740258785

Pt 0.8658970074917777 -1.1364038387108828 1.0434353385848691

Pt -0.2973234771047668 -0.9150041744706638 -1.9630672564588427

Pt 1.4642113989744010 1.4553999929394146 0.4101605549003775

Pt -2.4125076617008094 3.5838198144172582 -0.6983186704653278

Pt -1.5327575062009682 -1.7298046686212813 0.2554515153627885
Pt -3.4548790699033129 -3.6696962544272105 -0.0146486571865331

786
Pt 2.3220944020223055 1.2614811151712682 3.0747633511376256

Pt 2.3024608341420616 -0.5240352948979989 -1.1475659077066116

Pt -3.5843173383455276 -1.1148914559830556 1.7867722517429292

Pt -3.9324425931755211 -1.0143564459913603 -0.9359406100669497

Tc -4.0423392948229262 1.1107129390344512 -3.5298763924120231
Tc -1.8416903750068492 2.7072913526270961 3.5318761970292494

Tc 0.3576043542104522 2.7605669118074454 -4.4568542451192101

Tc -1.0060123521140072 -5.1411107282021362 -0.6304692398984463

Tc 4.3037993221969204 -0.4427162853463591 2.5604900596740858

Tc 1.1459195004737885 3.8501197619518139 -0.5390083132026532

Tc 0.7233858398317069 -3.6621251299720874 -0.1247161794331416

Tc -5.0334142558058259 0.7723892236942831 0.7383357782415870
Tc 4.7426668683991835 -0.0678524058805148 -0.2632382500606935

Tc -0.4610920967879585 0.3892932008164187 -4.3102662721293212

Tc -0.2680347556359192 0.1992650336038102 4.6372004711098720

Tc 1.2908296970412338 -3.2639785295945258 2.3871599560631678

Tc -1.3184861830897490 -3.9457630478991788 1.5536364797273734

Tc 1.6533856494054380 -2.8508781772222251 -2.2555644223556395

Tc -1.4886112045525113 -3.2455387245493488 -1.8869552718881242
Tc 3.7363116789717248 -2.6448840048018338 -1.4696485361054468

Tc 3.3187562448267505 -1.8272364616271208 1.0230018726682601

Tc -3.5379795721358147 -2.8059682590136075 -2.6992620291884841

Tc -2.9111700659495585 -3.1418750219229197 3.0033485524214707

Tc 2.2635779262769713 3.7757828818832513 -2.6033325218217027

Tc 1.3017731209897414 3.5719004922481412 1.9875153293933598

Tc -0.4930369986507883 3.9475219137926918 -2.5215234863997997
Tc -0.8782065609398247 3.5867370847592386 1.4484988330697686

787
Tc -1.9070194227340835 1.9292132285703507 -2.8779181899462181

Tc 2.6220507022717383 1.5179483795646826 -4.0825186024219606

Tc -2.5969839893341224 -0.7078864372816782 -3.2894869903118868

Tc 1.7203305801784790 -0.6049123838809303 -3.7243382365847060

Tc -3.0512867708304827 1.6225970152205329 1.4006980672641014
Tc -4.0137141498102116 1.6036372294385772 -1.2252884952067018

Tc -0.8036192952349667 -1.8941141421028338 3.0047836264106653

Tc 2.0908714894602394 -1.2643220596410687 3.4328109868871985

Tc 0.3685428815929229 2.4288490821460496 4.2541729514423432

Tc -2.5074177983510744 0.3009631723869957 3.6764943601157483

Tc 3.4606396506743762 1.7707328861208895 -1.7905050205631334

Tc 3.9290917441013464 1.5675641340018067 1.0211727449575458

Pt20 Tc35 configuration: ∆E tot = 19.25 eV

Pt -2.2460795533185101 -2.5933065291201629 -3.8907184516518636

Pt -0.6224094290323410 -4.3996686193312478 -1.1833017800980565

Pt -1.7776696051563698 -0.5250342373917748 -2.1240698930798363

Pt 0.9513361200459769 -0.5040008806490267 1.1670660442213037

Pt 0.1750267372456773 1.3225232041478863 -1.7512300482793060
Pt 2.6088401206107075 0.9355387100098526 -0.5446894580999374

Pt -4.3760658493902334 -1.1172621489864119 -2.7863997128815079

Pt -2.5791312595754627 -2.6398801798694302 4.7088438956570959

Pt -3.4928694097655346 -2.0881188380278117 2.2962515838388211

Pt -1.9733930702276656 1.4122283855508069 -0.1709166726421019

Pt -2.8535280178893059 -3.0437519660846664 -1.2784128273661466

Pt 0.4898616759978774 2.2778240261390983 0.8383234065680162
Pt -1.3155281629563156 0.5280462895314794 2.2629912412120716

788
Pt -4.2523362268764204 -1.0777664900428736 -0.1158463884400452

Pt -1.5942793200609939 -1.3849524563642059 0.3986559422314643

Pt -1.7402647328045400 -3.9516258496448464 1.1984985001366126

Pt 0.4378203647195835 -4.3038089115067457 2.9736182798228246

Pt 0.3573737687351718 -4.1908120797492439 -3.6467763991424307
Pt 0.6876471664428121 -1.4637647761078738 -1.4431054664340530

Pt -3.9733387460538849 -0.1672881506607087 4.2220404161935905

Tc 1.9110286488033315 -3.7902904663697297 -1.4646966371825250

Tc -2.6133450696466358 1.8932583788861781 -2.8573814749477537

Tc -0.4530238414129253 0.6783144302366110 -4.2569469360540992

Tc -2.7227420275974672 0.1130923398864106 -4.4209987634141186

Tc -3.8486873358192457 0.5649779299049679 1.7909535112567214
Tc 0.7291272165823415 -3.1106054287418776 0.6259983783000734

Tc 5.0937232111954982 0.2936684644955007 -0.8502380467530423

Tc 2.6941461350553646 3.7095054392796238 1.3952092398757887

Tc 4.4389648134582114 -0.8869079864184169 -3.0627220976917933

Tc -4.0753179807925886 2.5369300715262200 0.8138563113899163

Tc 0.7112291763073242 4.2834561156399129 2.4725796250979126

Tc 0.0113186128212999 -1.5699605556165046 -3.9993423216880508
Tc 3.5098431808447597 -0.8780794996620648 1.4470916637235829

Tc 4.0385729475170855 1.7303647363952817 -2.5739292686911868

Tc 4.0228651980057935 3.2359953555870233 -0.6688005005884649

Tc -0.6312733333981497 3.6368524784434957 -2.7128520797985582

Tc 3.3970265256648968 -0.2690952044651680 3.7974402566005852

Tc 3.0361409424949373 -3.2993113154299398 0.8424700605895105

Tc -1.4126698170859604 -0.3847150511142282 4.6734089484080563
Tc -2.5971205408968938 2.1134575921462178 3.7627405149242361

789
Tc 2.2152626057444262 -2.3578457080948816 -3.4706689456412421

Tc -4.2226908616174059 1.2099194107000792 -1.4152596359602232

Tc 2.1705131702991292 0.1759187050678214 -3.1229033313816332

Tc 4.6759499245789860 1.4950465802114556 1.0758881387162000

Tc 1.8783402852807978 -2.1410880229809091 2.9871503793971672
Tc -0.7441485888812815 -1.9841619300859288 2.9669605332990812

Tc 1.6631847061459131 3.4314825298764151 -1.2460241167681183

Tc -0.0270736877576915 4.7332017225573502 0.1303861487080397

Tc -1.9719069275491794 3.9437317592572354 -0.8683309956875583

Tc 0.8077319601215301 -0.0046427390571244 3.8732138113803907

Tc -1.7907355102744096 3.1984455933849447 1.8345873481648003

Tc 1.5337109351322291 2.5928253318888639 -3.5535125110489609
Tc -0.1458194920076710 2.3216248756949600 3.7329139879397428

Tc 3.3378691498886193 -1.6559594480253588 -1.1777079120489709

Tc 2.4689930981048041 1.4154750131534761 2.3686445058079779

Pt28 Tc27 configuration: ∆E tot = 0.00 eV

Pt -1.9372371966925706 -4.7321984163858284 0.6219457721247419

Pt -2.3559757674025770 -0.5272976620382261 -4.4226786812949532
Pt 0.4766629939378271 -3.8362667429835819 1.8751084178159581

Pt -3.9944838777994671 -1.0459363862035294 -2.2822956693387404

Pt -1.3751734049015467 -2.9276065658647057 4.4897791393850426

Pt -4.5523085051892558 -2.5287326122959404 1.9547179649650492

Pt -4.2267843085727259 2.5811975249439434 1.3750258136432891

Pt -0.0270810485792555 4.4181652852723738 2.5684487168614463

Pt 1.3177528311726798 -1.2271756514852221 -4.3913891697412755
Pt 5.6440777803896243 0.2328597678528425 1.1459728616966798

790
Pt 4.5685253138289958 2.0345416111888350 -3.2760489150933143

Pt 4.4292092834635888 3.6657163454068686 -0.9503827822761486

Pt -5.5085435737553334 -0.8960471591979058 -0.0430375263021267

Pt -1.0015186233336399 -0.1492073781397303 4.8960649574408466

Pt -3.1923854301205421 1.6371450914446926 3.8484307122231582
Pt 3.2336123593428177 -2.8444998386769189 -2.3610605639355042

Pt -4.1657914202011801 1.2988068010639466 -0.9310360599402927

Pt 2.1156035833220739 1.3318763477717064 -4.4534425838481893

Pt 4.6914076893264083 2.9294082179783176 1.7654975149692491

Pt -3.9449526626190470 -3.2797553395100723 -0.6838093052740981

Pt 2.6293514592058114 -1.8331372305358540 2.3418207492426850

Pt 0.2471082228136483 3.3603070304961404 0.0660032874612738
Pt -2.4377167321713791 3.5362140288792414 -0.7269837674466917

Pt 1.6658471406419597 0.2911351375862783 3.9961112007211486

Pt 1.3017285623640189 3.8609388063159682 -4.1641006249389712

Pt 1.0758953801070270 -4.1511733288569044 -3.2656007920988017

Pt 4.6026140886910722 -1.5124980967458872 -0.5623547635500552

Pt 2.1124345773574600 2.8155929589028674 2.9890065875605853

Tc -0.8864699275208839 -2.5157872955919345 -3.5273776282444156
Tc 0.3597123865274502 -4.3277886264839713 -0.8455325533532725

Tc -1.4775186684527524 -0.5471484506342232 -2.0478943301223285

Tc -2.3103276790381093 1.7723412757968082 -2.7092358585897003

Tc -0.2444549876839262 0.8723882735602441 -3.7227069561636177

Tc -4.2643842838798136 0.0841365676182220 2.0134366953927478

Tc -0.1288580898482568 -1.1815697762415169 0.4310885144328285

Tc 0.6825757430425375 0.8662781866275447 -1.2799403411604482
Tc 2.4990612870448583 -0.2890241135683365 0.2104305128445651

791
Tc 4.4117821825288202 1.1067761015402189 -0.9005635965369048

Tc 2.6696766789172917 2.3199585263891747 0.4188892851737849

Tc 2.9067366820600546 -0.1555620058125351 -2.4146644362978855

Tc -1.5626029039345477 1.2089747030565978 -0.1521008324647781

Tc -1.4692436376775033 -3.0218217873427444 -1.2669710061608477
Tc -0.2676426542756093 3.0387726208606849 -2.4395761663023943

Tc 0.5616673176984087 1.1250762527929559 1.5629740924649740

Tc -1.7164847892526087 0.1561320228830567 2.4207902300330555

Tc 3.4772884803370361 0.7078943158048852 2.2522072603495440

Tc 2.0642664880799648 -2.8953507071227134 -0.0114406507495765

Tc -2.9071099777576577 -1.0787154173981079 0.3063626410574522

Tc -1.9000842616851796 -2.6024280526617751 1.9309280712701005
Tc 0.2043760878209907 -1.5473080962347887 3.0147079338920646

Tc 2.3445921640817451 2.5782499101619525 -2.1215812274237256

Tc -1.8032001614893256 2.7539625197636024 1.8711301280946060

Tc -0.3244716883117936 2.0608790871720890 3.6983531387580446

Tc 0.9158688119028188 -1.7594130768106178 -1.8955349487124140

Tc -3.2266293138604998 -1.2322755043084901 3.7841095374865517

Pt28 Tc27 configuration: ∆E tot = 1.24 eV

Pt 2.3028880975482635 1.4071065965051239 -3.6294203943300158

Pt -4.4766440333754893 0.0000000000000036 -2.7373109055191662

Pt 0.0011706458643931 2.6799649937979835 -4.3687350945137728

Pt 0.0011706458643931 -2.6799649937979808 -4.3687350945137728

Pt 2.8449505830039152 4.3779428475176587 0.0931517268523767

Pt -2.6966303709269077 4.3559955180745948 0.0162194553841855
Pt -2.6966303709269077 -4.3559955180747503 0.0162194553841855

792
Pt -4.2829884040016282 0.0000000000000036 2.6855505252452581

Pt 0.0412225485702121 4.5063088048954363 0.0529205854721158

Pt 0.0412225485702121 -4.5063088048954283 0.0529205854721158

Pt -4.5988328956269333 0.0000000000000036 -0.0053095816542839

Pt 0.0088364778316142 0.0000000000000036 -4.5836543223020207
Pt -1.3353969205795262 -3.6709350431833627 2.2899966818398374

Pt 1.4330849030009118 -3.5907320160191674 -2.2387429452934549

Pt -1.4079771133176999 -3.6916164513432119 -2.2666845722370765

Pt -3.7020498471052457 -2.2916808072273227 -1.4131572554369305

Pt -3.6193220316659422 -2.2879219950865228 1.4503842931949535

Pt 1.4330849030009118 3.5907320160191700 -2.2387429452934549

Pt -1.4079771133176999 3.6916164513432119 -2.2666845722370765
Pt -1.3353969205795262 3.6709350431833627 2.2899966818398374

Pt -2.3195911248598304 1.4021271553818613 -3.7510633977606416

Pt -2.3195911248598304 -1.4021271553818542 -3.7510633977606416

Pt 2.3028880975482635 -1.4071065965052827 -3.6294203943300158

Pt -3.6193220316659422 2.2879219950865304 1.4503842931949535

Pt -3.7020498471052457 2.2916808072273227 -1.4131572554369305

Pt -2.1847163505180092 -1.3732277486992244 3.7278909393632755
Pt -2.1847163505180092 1.3732277486992315 3.7278909393632755

Pt 2.8449505830039152 -4.3779428475178088 0.0931517268523767

Tc 0.0365723626337436 0.0000000000000036 -0.0174495953755943

Tc -0.0689975843408307 1.4032127152888230 2.2471219822429331

Tc -0.1865299904443910 1.2824285415822454 -2.1761105096855182

Tc -0.0689975843408307 -1.4032127152886524 2.2471219822429331

Tc -0.1865299904443910 -1.2824285415820698 -2.1761105096855182
Tc 1.4099028880840301 2.3109256984898554 0.0200505829646594

793
Tc -1.3282576376102355 2.1067789463085971 -0.0936588198204231

Tc 1.4099028880840301 -2.3109256984898527 0.0200505829646594

Tc -1.3282576376102355 -2.1067789463085869 -0.0936588198204231

Tc 2.1631936427974248 0.0000000000000036 1.3720323608203124

Tc 2.1912146108195554 0.0000000000000036 -1.4647725341970161
Tc -2.1915378475339726 0.0000000000000036 1.1052316321155502

Tc -2.3535125838148860 0.0000000000000036 -1.4722232687969801

Tc 0.0902406291858021 2.7204897351417099 4.3095408898501439

Tc 0.0902406291858021 -2.7204897351417019 4.3095408898501439

Tc 4.3743752417431221 0.0000000000000036 2.7153319815153694

Tc 4.3351700794811281 0.0000000000000036 -2.6042108072368153

Tc 4.3428472923177832 0.0000000000000036 -0.0240149296067330
Tc 0.1437615614798394 0.0000000000000036 4.3817204625852115

Tc 1.4979608053372968 -3.4666006757239383 2.3272302992448792

Tc 3.6654689999122794 -2.1103834714828502 -1.2020121446003904

Tc 3.5632659733808296 -2.1394571688478834 1.3898185583852396

Tc 2.1530851451050288 -1.3492523472669788 3.5397986300870796

Tc 2.1530851451050288 1.3492523472669886 3.5397986300870796

Tc 3.6654689999122794 2.1103834714828551 -1.2020121446003904
Tc 3.5632659733808296 2.1394571688478909 1.3898185583852396

Tc 1.4979608053372968 3.4666006757239360 2.3272302992448792

Pt28 Tc27 configuration: ∆E tot = 3.72 eV

Pt -3.4397478232617473 1.3582005571569580 2.2591862125706315

Pt 0.9793554898964275 4.0618438187804697 0.8174243610231943

Pt 1.1597365993766857 2.7593967684007152 -1.5973857440442349
Pt 3.0929321535050462 4.0202891129454370 2.4278710086892219

794
Pt -1.3150123698988878 1.4690891223901330 4.0307243095491279

Pt -3.4551807614182906 -1.4597250069896974 2.2261951007128133

Pt 3.3956449406690794 1.3078776200861766 -2.0789984088066440

Pt -3.4736993856402236 0.0065524937218439 4.5090480271805795

Pt 3.4543849488045240 -1.5461903893216702 -1.9587481353629206
Pt -3.3968132123636821 1.1761151466708410 -2.4159278115681708

Pt -1.3021588117576144 2.9590360056213312 1.7648623014063380

Pt 0.8037162160530970 2.8250071787668913 3.3088280246397574

Pt 3.2174250284572707 1.3101235511171465 2.5560137198425594

Pt 3.4011880963164174 -0.0343406142061130 0.3246712269737762

Pt 3.4593775119361965 -0.1718369536140517 -4.3072408188445017

Pt 3.2548189922193131 2.6655637457358337 0.1751033475343098
Pt -0.9136949246704588 2.7110233656324096 -3.2221375588863843

Pt -3.1108093265195649 2.4519881963327519 -4.7131980948758745

Pt -3.2034069780462602 3.8779231623405179 -2.4110878845883370

Pt -0.9252700305489724 1.1933630384097311 -5.5983815990095529

Pt -1.1026055611905790 3.9963664931546488 -0.7769133054562792

Pt 1.2976142286290653 1.4231329889087219 -3.8855707382068978

Pt 1.3294741832948063 -0.2122714169182674 -6.0264853164031003
Pt -3.4853509207192914 -0.0662780932303991 -0.0989973766152409

Pt -1.2795906241032142 -1.3959669335788449 3.9718911089117612

Pt 3.0226734920856870 2.6781992301356992 4.7932337258046083

Pt -3.3740302112593881 2.6279225137687261 -0.0368598460769610

Pt 0.7963912807486652 1.3310770822369404 5.7006944956686958

Tc 0.7530590072942190 1.4637055693561605 0.8746583892006745

Tc -3.1758339582903403 -2.6788035246715838 -0.1125031597253673
Tc 1.0618715499347786 -2.5958712327377897 3.3356732502057995

795
Tc 1.2912003180844565 -0.0876138859059213 -1.3698432510456120

Tc 0.9365157450167844 -0.0261194311397733 3.3338606316645412

Tc 1.0971859417288883 -1.3313635341033860 0.9016076809941032

Tc 1.1423572177776720 -2.6971377663630323 -1.3251361889684607

Tc 1.0061253545796660 -3.8463821905682325 1.0465920801415782
Tc 3.1128454498291447 -1.3271685889474130 2.7243850248719697

Tc -1.1958890940426201 0.1255912753272622 1.5495085682529501

Tc 3.1300361313807059 -3.8864317951083764 2.5235105342537296

Tc -3.1272899032692862 -1.4803559280079925 -2.3455536474608643

Tc -1.1437542580538391 -2.5321617662347551 1.5950107076517683

Tc -1.0098493611705734 -0.0747724754410771 -2.9821861856130063

Tc -2.9351199562195731 -0.1986765028760447 -4.6652398156167614
Tc 3.1911339514453800 -2.6652984014740229 0.4748305140616739

Tc -3.0302844170962189 -2.4978477521224791 -4.6851490081651015

Tc -1.0978793607693760 1.3848560385476132 -0.7202063898953844

Tc -1.0344181822668546 -2.6996399474700086 -2.9705107987788217

Tc -3.0726012116501096 -4.0169199890768370 -2.1502312502976473

Tc -0.8072239471798993 -1.3902562432340462 -5.1588813655075576

Tc -1.0034095664109941 -1.4458727200131323 -0.7141063394466832
Tc -1.0224136476070029 -3.9469169720990438 -0.6616231822558837

Tc 1.2193620491386312 -1.2564117546585694 -3.6330061469113666

Tc 2.9344925315408688 0.0428047553372250 4.8583769592043673

Tc 2.9622775664380399 -2.3706817837078207 5.0386011928722301

Tc 0.9301418292433469 -1.2877352370618214 5.4997468645508611

Pt28 Tc27 configuration: ∆E tot = 5.00 eV

Pt -2.1065483404283398 -3.2658308792195880 -4.6300879452270829

796
Pt -3.2402763610919854 1.6615071418142449 -3.0678975751554414

Pt -0.5978747167268111 1.1542194459750965 -4.2616096990703252

Pt -2.7535201338186224 -0.6692043218158062 -4.4067081334559912

Pt -4.2347783244764878 0.1956734121310445 1.6882562978665372

Pt -4.8542760744729936 -0.5653505567340488 -2.7502817915871711
Pt 4.8377629273552767 0.4903123165252820 0.0543701570846200

Pt 3.5927990176732862 2.7689835300515289 1.2404688336159224

Pt 4.2522012294415594 -0.6380529828151630 -2.9240724220488543

Pt -4.1573180172760811 2.8238755774214090 1.2931280310820441

Pt 1.1636172443744504 3.9066262958981692 1.5845095896565118

Pt -0.1081576492207078 -1.4977470088213678 -4.2553956339326451

Pt 3.4910416970779385 1.7766177178883711 -2.3533173066935000
Pt 5.1063388757001480 3.0275975195501594 -0.7952246877492866

Pt -1.2740039057589700 3.4067806261578610 -3.0148981950870937

Pt -2.5730564381920793 1.7192970617919647 3.2211835195417455

Pt 2.2335666083328776 -2.5379987869216110 -3.0599218247903170

Pt -4.8091583271739999 1.3712790351153090 -0.8390397254878292

Pt 1.8877175926913758 0.2618965464458344 -3.8321690327196478

Pt 4.6869839737247272 1.0178149402959920 2.8856448377333384
Pt 2.3252506685484029 3.6807842856120683 -0.9030457362805135

Pt -0.2304372032665181 4.1005906621102115 -0.6838306379185055

Pt -2.8584250002594982 3.5454138447089805 -0.9328869204196337

Pt -1.6342421315469280 3.6238669576472442 1.5406529444044954

Pt 1.3005395755932185 2.9140527340770386 -3.2974246166975902

Pt -0.1468993984734551 2.6380057021516006 3.6564674215705155

Pt -0.4228723725780106 -3.5500264223692395 -2.4847849182073412
Pt 2.5012364483891143 2.4883579409731027 3.5761966503811466

797
Tc 1.3553246656491520 -3.1905513171643682 -0.6462201605215063

Tc -0.6232224406295700 -4.5001191181090308 0.0857540554493997

Tc -1.6638845842592285 -0.1901041053878002 -2.1965506547497915

Tc 0.8814295383108592 -1.2013842640369414 0.9714188585155810

Tc 0.0071163601237094 1.5781596451144237 -1.5776330748819427
Tc 2.2257228497309702 1.0211474788935402 -0.2031671938756492

Tc 1.6927987028858795 -3.6187384584279187 1.7812123733401706

Tc -1.7554722514263408 -2.6162879364853855 4.3808133760237515

Tc -3.1083324978680182 -2.1963190631077771 1.5210103570524083

Tc -2.1829820566492013 1.2225247890215594 -0.1887975678524745

Tc -2.8538721514550787 -2.6626399751497147 -2.3066148908650410

Tc 3.3403403475940596 -0.8237120936876946 1.7720795586408074
Tc 0.0942136701031567 1.6900611329952935 0.9141332078221819

Tc -1.4900079191493916 -0.2524312128449179 1.8718375264092406

Tc 2.9431746043576199 -0.2998698942961334 4.2266430811601898

Tc 3.7061661080349411 -3.0671824336999327 0.7302130268463809

Tc -3.5684150358375883 -0.8829680000829879 -0.6237379660304083

Tc -0.8444999443640696 0.0644676134615689 4.4221897043334373

Tc -1.1959359926211062 -2.0449967416642107 -0.3527802723396574
Tc -2.9971995360388997 -3.9023395325213492 -0.3847132750759441

Tc 2.9657966172146772 -2.5595174310103923 3.6100094530829492

Tc -0.8534478869844192 -3.0272929147678216 2.0595063087291132

Tc 0.6199518350687138 -1.8751687430769259 3.7417601721203178

Tc 1.0725554177712713 0.5120691907022306 2.9496191743295190

Tc 3.1331814479366247 -1.2996461286756207 -0.8528511361030990

Tc 0.7811514441018023 -0.8658064863524141 -1.7772103609813110
Tc -3.0588627757414084 -0.8606963352849740 3.8237948390132788

798
 Pt28 Tc27 configuration: ∆E tot = 6.75 eV
Pt -0.7309555101773999 -3.9267880488598368 -0.3533919316740427

Pt 4.0298815939434691 -0.7528576683514279 -3.2960227647140270

Pt -0.6056134799027950 4.5272291242276781 -2.3769528080613620
Pt -4.9414064682852068 -1.7082258773991941 -0.3352058424919179

Pt -2.3147685541537841 2.3669466601283986 3.9697469772416953

Pt -4.0090554422617579 1.3451846581501024 -1.5790390845194975

Pt 3.7595215440219381 1.5652249651436640 2.2080547529967705

Pt 1.0448030146732670 -2.0838815845819698 3.7501935110467866

Pt 1.8535626352690653 3.8963389466287208 -1.4873200139231442

Pt 2.2666148441059724 0.3665567153950555 4.2847613404128850
Pt -3.7719894569118178 0.0769604558744849 3.6581342520570548

Pt 5.3868212383613292 0.4858593836277669 -1.1315289740023551

Pt -0.3089219503526650 4.0507205642204225 2.4647564332694332

Pt -0.9354996777107851 -0.5076629911183728 -2.2553866331064771

Pt -3.1049218801562177 0.6407042002548626 -4.1194344942022534

Pt -0.1235228151675991 -1.6312667963108689 1.2321342983921755

Pt -1.6584619556508284 1.0635454297762064 -0.2562213911323251
Pt 0.6899458937652576 0.9752345132314634 1.0522420200240872

Pt 3.3732611994729758 -3.0099281808397476 1.3852736873478499

Pt 0.3797399693556461 -1.7390783071517175 -5.0656936124338010

Pt 1.9270240462324981 -3.7175030112550926 -0.6631674536126947

Pt -1.7259544660758859 -3.9829628008121305 2.2167340649449017

Pt 3.1663038274171753 1.7750572537455982 -2.6059973922490931

Pt 0.9086308799759857 -3.9964934093801308 1.8540717103691744
Pt -3.8104892735349143 -2.1863188679667624 2.1417241986573550

799
Pt 4.2088123520550527 -1.5588664834792740 3.5823894279042534

Pt -2.8395577999148220 3.7441155636677013 -1.0708328400544689

Pt 2.1982365702416673 3.2125174791754678 3.5987401481396319

Tc -0.4117767124150539 0.8281256114680671 -4.6720528620214665

Tc -3.4908186793808249 -1.0772978375194902 -2.2918148291986578
Tc 4.7182970295257451 -0.7595057004937951 1.1482092014133005

Tc 0.7912806315439342 2.5630433931841727 -3.7841412879996401

Tc -0.2413018285804799 -2.9338228894836593 -2.7420005174051765

Tc -1.4206216367049562 2.1626614501377777 -2.7646910632717567

Tc 3.0696719325459858 0.5392847156736896 -0.1396873861508970

Tc -2.1316048023026464 -2.0495727717824543 -4.0672647930706392

Tc -3.8178297997380977 0.2780227837512399 1.0824314104502253
Tc 0.6931715179153730 1.4444028612256303 -1.5150774259868016

Tc -1.6549015561344635 -1.6718782050883045 3.5273062193446139

Tc 1.9598916145930267 3.2100569204822698 1.0921945781951539

Tc -4.5253978933850849 2.4940866837562288 0.6727720873824402

Tc -2.6603889597200809 -3.4595280964005610 -2.0871227156020069

Tc 3.8745723973687145 2.8652203316715705 -0.2404866618993408

Tc -1.5013621054930983 0.3317605574210123 2.3674662967137099
Tc -0.3696686318812138 -0.1633012157774680 4.8390606799487355

Tc -2.3023433892623464 -1.6914591268814756 -0.1487736923761541

Tc 2.0747507269888086 -2.5651812926104798 -2.9666374858752826

Tc 1.5083543695252488 -0.1380273245825827 -3.3508092470096011

Tc -3.3730365609275101 -3.8616096746999933 0.1435827820651808

Tc 2.4120030137943713 -0.7110765040255032 1.9930969192932884

Tc -0.3711286122351935 3.4330285074726072 -0.0729105221842600
Tc -2.4284285738962579 2.7834090481901290 1.4924240655359451

800
Tc 0.1469445183772316 1.7351032082321045 3.5638400927794436

Tc 3.7849563335244998 -1.7474867305391901 -0.9504628499647331

Tc 1.3546747777195494 -1.1288205885226050 -0.9312125797322158

Pt28 Tc27 configuration: ∆E tot = 8.90 eV

Pt -0.2341667674531167 0.1594125441221462 0.0464296599967308

Pt 0.9894590533298782 2.5185594289258537 0.1808901301257257

Pt -1.7858767927114032 2.2564112167774599 -0.0550737418250624

Pt 1.3919626270583960 -1.8940203797324588 0.0573046863591018

Pt -1.4275900928400267 -2.1359804280622181 0.1442655039134715

Pt 1.8509739666896254 0.4201601794036150 1.7222652924804169

Pt -3.0115217011523594 0.1388777969581578 1.0860595689832757
Pt -4.4657399370135282 0.2195007338177687 -3.0010406096742739

Pt 0.0407793241127390 2.6790371586745567 4.2762381049642055

Pt -0.0410424446800084 -2.8040967634899663 4.5291084256737690

Pt -0.1711367070686723 -2.8263227618447710 -4.2744141675770937

Pt -2.5420842251297118 4.6736966874906773 0.0695142408354630

Pt 2.6833553026237014 -4.2242849243335820 -0.0089036785540246

Pt 4.3425430507090219 0.2778414609607657 2.5248357832291193
Pt 4.3169568468778889 -0.1403541302293179 -2.8805102530222739

Pt -4.1899072270013766 -1.5734617430350533 -0.8351268570003348

Pt -4.3893029171338060 -0.4291293931027005 3.3005847950116647

Pt -1.0563454186172969 -4.8527490573560410 -2.2662799365537736

Pt 4.4653337304997391 -0.3150442402535359 -0.1200186344339489

Pt -0.0961328806385606 0.1307874703302602 -4.5886572915978761

Pt 2.2200956550936484 1.3540891108577346 -3.8361508336534222
Pt 1.8938036594550594 3.3802129297405088 2.4871654872375162

801
Pt 2.2592056040309560 1.1896131560291454 4.2342071274685065

Pt 0.1513646149311943 4.9516804113905648 -0.5040454577137009

Pt 0.1026602543438266 3.1007753158645985 -4.2371965992230427

Pt 1.2261514947164547 -3.8947656495315708 2.2955532796547371

Pt -2.5549783278334339 -4.4958223156470698 0.1147876401859362
Pt -2.4345546686743522 1.4532821542350829 4.5024728132946503

Tc -2.1735141109547573 1.6427243436793779 -3.7109137207159888

Tc 0.0007850421859127 -0.1509503847722651 4.6188421969187905

Tc -1.6335411356512726 -3.4095261045706100 2.4599816112249568

Tc -2.0090927191691264 -1.0536738545720230 3.6497153646072755

Tc 2.1593100243673882 0.1400844554725152 -1.4648670883866604

Tc -2.3222864417684024 0.1751806903367365 -1.6103203479077433
Tc 1.7668575793458772 3.3628020389737947 -2.0722978373044949

Tc 0.0291537150286896 -4.2574878376338603 0.0121349841036498

Tc 2.8513082677530410 4.2674218886597570 0.0178864834087480

Tc 1.1561758867332579 -3.4119932336461991 -2.0899852306599236

Tc 3.3377486640537781 -2.2498255507840370 -1.6864755692094930

Tc 3.4004038208367025 -2.0648910959706490 1.7004783606899856

Tc -2.3808382433534359 -2.7238072705984782 -2.2106502261396810
Tc -3.5327982962583149 -2.3741539505251765 1.7322424457093368

Tc -1.4499633813852300 3.7185305859657296 -2.1659595274119736

Tc -0.8424885700354889 3.6836468634931943 1.9708505960775935

Tc -2.3636127791433732 -1.1616800003676799 -3.8042187684105988

Tc -0.7408415961945578 1.0109973324106825 2.5504978376357434

Tc -0.0907517129912079 1.5025032502379603 -2.2574124872874379

Tc 0.1003361844651641 -1.4705343127486257 2.3889641800543808
Tc -0.2145586087786442 -1.2108575228872833 -2.3200826001140946

802
Tc 2.0366920302282923 -1.3940001308333982 -3.5112996690582898

Tc -2.7794303670527198 2.6092035000603788 2.3199383929417481

Tc -3.4874462150199639 2.5603460681731351 -1.9735280319623549

Tc 2.3240027616454917 -1.4060526011238526 3.5514717968664460

Tc 3.7855598910165722 2.2216127645272987 -1.6926350270838029
Tc 3.5385652335718540 2.1264741000829672 0.6333774028284312

Pt28 Tc27 configuration: ∆E tot = 11.24 eV

Pt -2.5399538338244492 -1.4975021946332028 -3.8606793616410351

Pt 0.8404117104484512 -5.1724175943249460 0.3487538497323993

Pt -0.9107742530699089 -1.0290020468607670 -1.5029269053316374

Pt -3.2660417597793829 2.3259424686010850 -3.9483429525555587
Pt 1.1263122520552278 0.7882062893550189 -4.7412647309170195

Pt -4.2720418146376797 0.9854750073754560 1.4071970563740843

Pt 1.4912363758849634 -0.8179302883065170 2.3542628385291100

Pt 0.3479385645016481 1.3477928091171965 -1.3791809815282339

Pt 2.4508111077259498 0.4717226858135393 0.0611446149722253

Pt 5.5888197419230288 0.1156921991056492 -1.2427371566925858

Pt 1.3344376911259501 4.6924343084521585 1.6043954367386133
Pt 3.9359247043050982 -1.7886220354603688 -2.4444883715027630

Pt -1.9961143687164569 1.2625063145890680 -0.0503222416028685

Pt -4.8979756528559939 -1.8117152968862857 -2.0099884188866697

Pt -0.3851571720813848 3.1977075499629222 -4.1963909966855137

Pt 0.3252646278402883 1.4821830469305450 1.3513549189863372

Pt -1.0902196324313604 -0.9556077235360273 1.2167492323704876

Pt 4.1925422075937160 1.1856111921380137 3.8000380923558637
Pt 2.7121530605475543 -3.3502193182253355 1.5546801052695303

803
Pt -2.6517575998145801 -3.2429489543458532 -1.6978477494361213

Pt -1.8855934473068645 -4.4691543917951604 0.6673524331759183

Pt 1.3518794894384887 -2.9422833660882888 3.9652705958350767

Pt 0.4051271288185836 4.6943557645586020 -1.8425704220258321

Pt -2.4527226748012056 3.5157418271735823 3.9993455248875622
Pt -0.8812460427270415 1.0113291042203978 4.9258459928123077

Pt -0.8524044151662756 -3.8002582604492776 -3.7249996904882807

Pt 1.4984735185192939 -1.9392633281284133 -0.3234278087072057

Pt -3.2373810366767408 -0.4864422241573739 3.8273860525587589

Tc -0.1741333092662630 -3.6016094073063840 -1.2741095909846705

Tc -1.1815131155390910 0.8759457911997560 -3.5165827168048178

Tc 0.0691595356795599 -3.2692950682239910 1.7638066104129064
Tc -3.2981461323575281 0.2488839266558669 -2.1220088361288134

Tc -1.3563487702732111 -3.4354827347141494 3.6405501858546745

Tc -2.9869937094887740 -2.3741742693936803 2.1645473228426195

Tc -2.6648731187839427 3.3420705879099173 1.3989530165324038

Tc -0.0576567884537368 3.0944923829816915 3.2565974145904009

Tc 0.0668665652851546 -1.4483674454589766 -3.9874930145002723

Tc 4.6501952562306705 0.8561842532512456 1.2469061644756165
Tc 3.6160740041367867 1.1149178139466620 -3.1223127669954520

Tc 2.0268494851875638 3.1762773546902459 -0.4558505561518926

Tc -3.6043435209601005 -0.9419901751183651 0.0304823593752471

Tc -0.6850547911020147 -1.2519760321205369 3.8155444291711196

Tc -1.9342783235296617 1.3369982888861762 2.6217409470710531

Tc 1.5754217735697695 -2.9807784315118901 -2.8233450580638317

Tc -3.8993136882100443 2.3530741348094026 -1.3101517947313692
Tc 1.7784123736578605 -0.4764579264944998 -2.5382033463189955

804
Tc 4.0405716508786362 2.1766411029083605 -0.9979505408326069

Tc -4.1900295416512527 -3.1856477631711790 0.4039420594071304

Tc 3.9608241405670070 -1.1407987346963193 2.5045758061158057

Tc -0.6923590248279804 3.6570021901703544 0.3955324434862821

Tc -1.6606230575374976 3.0063741942672819 -1.9524300660607745
Tc 1.5485027207876483 1.4977758771277030 3.6625956316070480

Tc 1.8739222228344001 2.6075953764483013 -2.9751518000048907

Tc 4.0772018235522296 -1.4458525647524934 0.1875802661524842

Tc 2.8197168627748930 2.4348637335140815 1.8636264738866453

Pt28 Tc27 configuration: ∆E tot = 13.70 eV

Pt 1.0427880506780156 1.4163310822704966 0.8834443532686219
Pt 1.2103771416216840 -0.0685408135808152 -1.4109832895717267

Pt 0.9184265445524546 0.1224939267301039 3.2592072228510962

Pt 1.2256709581237459 2.8386957422849428 -1.5573672598050112

Pt 3.0605897077453061 4.0919546680466743 2.3020657265566196

Pt 1.0223362499171695 -1.3328180277861754 0.9934710626892290

Pt -1.3256385555044634 1.4381982287956656 4.1779281910340407

Pt -3.4360874982580749 -1.6293595370678762 2.2138513161998219
Pt 1.0921888442097933 -4.0877839228010346 1.0658508632886170

Pt -1.3029807880241833 0.0574933353778084 1.7096700853209974

Pt -1.3496569096264190 2.9849888939382780 1.9466831729967020

Pt -0.9910794915524448 -0.0758392380698452 -3.0227614087227042

Pt 3.5923830305647204 1.3279171169673629 2.5686953854924934

Pt 3.5705820715563603 -0.3195397161646268 -4.3451820965670986

Pt 3.3758418027858053 2.5289197049979046 0.0513352211003952
Pt -3.0938511708481968 2.6635693439777612 -4.5812387529993455

805
Pt 3.3341215795908710 -2.7448192982015343 0.2183415001678994

Pt -3.3878070797311013 3.9118100919442154 -2.1643165474612132

Pt -2.9292769494216024 -2.5420485967606674 -4.8464453040832112

Pt -1.1859023521592063 1.3197691465888914 -0.6417791876358839

Pt -0.7317597647695884 -2.9630411563287713 -3.0762682474614724
Pt -0.9980859026842408 1.3206563263014770 -5.4828744132686102

Pt -3.0678212702819234 -4.1728412399862522 -2.2896392282159468

Pt -1.1019486023980427 -1.4781876179124953 -0.6476570583925715

Pt 1.3140669711747661 0.0136587977190058 -5.9975632166864372

Pt -1.5356594359467468 -1.3269482289181367 4.1181684164648429

Pt 3.0308194462148412 2.7719660064384786 4.8554576647556313

Pt 3.0376664996480534 -2.4531659528085954 5.2237581194314000
Tc -3.3295876261489274 -2.6409612009580954 -0.1970822212635604

Tc 0.9324882981846886 -2.5719440126617341 3.3589140276849800

Tc -3.5881862169374448 1.2419509109261992 1.9403891060044363

Tc 0.8830721843509743 3.9398930655840565 0.8463362115304395

Tc 1.1632598793166140 -2.7650267737618011 -1.3089051657529409

Tc 3.2316788338229245 1.2897629855244832 -2.2977257131650326

Tc -3.5946945572473421 0.3567023597636238 4.0543587243870354
Tc 3.4274972978091207 -1.1985206221039253 -1.9231855258303685

Tc 3.0858674585399450 -1.3403338083883529 2.6013279791488260

Tc -3.2042499468855921 1.2740487905354572 -2.3073333975224406

Tc 3.1275829553922669 -3.6452797559174681 2.7419745634182737

Tc -3.1202288852895705 -1.5994351727311025 -2.4632038807205441

Tc 1.1211949919783499 2.7122337536074164 3.1400136808855472

Tc -1.1481168603030263 -2.7315184540734618 1.6478816978831063
Tc 3.2426729351951797 -0.0790394550379963 0.2967715642953764

806
Tc -3.1620583469784593 0.0325055782330894 -4.3834917689679349

Tc -1.0573932050215435 2.6379081784730207 -2.9048809224423402

Tc -1.0655005709949152 3.9091252327664594 -0.7305815629332312

Tc -0.7260205047051955 -1.3073017992500544 -5.2060391088604163

Tc 1.2419319900159103 1.2518231187907991 -3.7146894453220920
Tc -1.0401557939191439 -3.9970701343404840 -0.5359705746768443

Tc 1.2898808795402772 -1.3310318204092664 -3.7258960692693126

Tc 2.8948619638503210 0.0951407784834641 4.8612836286921901

Tc -3.3969716381954931 -0.1259265613112224 -0.1328022364807014

Tc -3.2242813115099254 2.6937006444905394 0.0521421764713476

Tc 0.8662965666315625 1.4857214674490564 5.3856997109964038

Tc 0.7588561023310907 -1.2006163596749400 5.3808422310626227

Pt28 Tc27 configuration: ∆E tot = 16.77 eV

Pt -0.5292902828677680 0.4373302685713530 -0.3446035412310691

Pt 0.2060276342464763 1.3078238522060481 2.0641580223527303

Pt 1.6408214559158427 0.4281825108194106 -1.8490517498758434

Pt -0.3244912591258126 -1.2961091977970991 1.8319122662862286

Pt -0.6516245889846514 -1.4397760266989064 -2.2711766709129320
Pt 0.5106955037832906 3.0556725550920651 -0.1148483159764550

Pt -2.0561307200228196 2.7268992058181700 -0.7027254959870274

Pt 1.2902744513464004 -1.7656381396536016 -0.2993651746111992

Pt -3.6031072245696176 -2.0173917560800856 -0.9839220013422317

Pt 2.4170538730753481 0.5026883748754465 0.7393967288703057

Pt 4.1932305847583766 -1.0109750880312927 -0.7592039762314212

Pt -2.9252153296643026 0.0943042100112185 0.8520330397461341
Pt -2.6886705378930653 0.4795693329618839 -1.9710803890597601

807
Pt -4.5973177548789064 1.5749081465157098 -3.9506207897284495

Pt 0.2438268122960084 3.3105704285066997 4.9730799082518997

Pt 1.7790930381540466 -2.7913831953643378 3.9965852292242205

Pt 0.7848604019920645 -2.4437653751457855 -4.4392011943281018

Pt -3.9717601265687659 3.6585370035853506 0.7778005112559275
Pt 1.3543443247122458 -5.3032925982163857 -0.1327126294441596

Pt -2.9077050705395333 -2.0291445000401875 4.0412715833608077

Pt -1.9539636128685256 -3.7784038891512619 -2.3421703068321120

Pt 5.3252259299949447 1.1615663166796388 0.3592871094826383

Pt -0.8424326450567233 -3.8043762497312610 2.7350963429650479

Pt -2.0189405213767255 0.7836710404046078 -4.4966562548801319

Pt 2.8165827746779986 -0.5129690289672534 -4.9358291782448047
Pt 1.7494046675893191 3.8362840302061647 -2.3414707629328317

Pt 1.1884169022560389 3.8292750027074822 2.4556201655179253

Pt 2.5792813957448875 2.0215493172899093 4.0752474712587299

Tc -1.3794074210118321 4.2247085851446222 1.2960278044138978

Tc -0.7201482602057380 -3.5525053074422441 -0.0059492291648721

Tc 0.3931527457507061 0.1934232964930392 -4.1880565019350895

Tc 1.4725551612814858 -3.4957575877253415 1.6017703469583342
Tc 2.1208232115566918 1.8252534882966120 -3.8560874310320470

Tc 2.7232208877008848 4.2620692249794860 0.2080120659751801

Tc -2.9764859926576346 -4.1906163624144366 0.2516574007118298

Tc 4.1812868445762437 0.4278926771209318 2.6255885588175207

Tc 4.0330021950548005 0.8760993582529953 -2.7773492477773685

Tc -4.9730434886472477 0.4550765648919459 -0.6447078716291185

Tc 0.1454169940876343 0.7512680011703445 4.5628859695111617
Tc 0.8081033605789204 -3.6026366955086342 -2.0544972235261225

808
Tc 3.0770541171080641 -3.4320511101323472 -1.0684408282438893

Tc 3.2487447082849048 -1.9516781610567602 1.5644022162921392

Tc -4.8241178432284624 -0.6588064230234546 -2.9642459716518088

Tc -2.7212235934139297 -2.3922052564270029 1.5338150093095084

Tc -0.2948529451350607 1.9768957064131307 -2.6088278385593879
Tc -1.4482138627619232 2.9877583673859212 3.0983613464550261

Tc -2.8556353798756060 -1.5431717214565008 -3.5813390875531637

Tc 2.5877757288660153 -1.8782685113428155 -2.7080612338285759

Tc -3.4848985126565122 1.9361433499979122 2.5954903812858650

Tc -4.5394431709128664 2.3631195107374663 -1.4953860915556048

Tc -0.3828523672493472 -1.4435550943007467 4.3917921307599199

Tc 2.0784942988386081 -0.3722664927744911 3.2128094521052351
Tc -2.1280878803138972 0.2685379827201750 3.3228452505223744

Tc 3.4024799056062154 2.2366131941764982 -0.9782030211850480

Tc 3.4478104826528071 2.7130528644499958 1.6988436975700454

Pt28 Tc27 configuration: ∆E tot = 19.20 eV

Pt 1.9163707289370280 -5.1573968659728315 -0.1040964804324002

Pt 0.8154765541771256 -1.0490666656713812 1.8042269525505061
Pt 0.7562692077970914 0.5206015191349599 -1.8695114480021371

Pt 2.3993818801527946 0.0168781578590656 0.0741981109322275

Pt 1.0913187777283591 -3.7892027134893227 2.0136172498991298

Pt 4.7319840862020417 0.7462843048263165 -0.9458437760250566

Pt 2.1574204362736458 3.7990510294080013 1.1312292790022063

Pt 4.1857421164163870 -0.3298335641795717 -3.2772538926663621

Pt -1.9892271596363691 1.0604734338361517 -0.5100654007089329
Pt 4.5820744206120443 -0.8316286116127044 1.3173642424634271

809
Pt 2.9704502380095210 1.9448725957616033 -2.6430785016251765

Pt 4.0774514685869763 3.2771153554299146 -0.6864301009469378

Pt 0.3663167062764929 1.7302823947527697 0.6579290051806863

Pt 4.0204231323518753 0.3981017047444296 3.6100524895580421

Pt 3.6577662591990379 -3.3098007274618859 1.0332758307348384
Pt 1.9452155190375353 -1.6425584759946090 -3.0712234756925634

Pt 2.0002962122361323 0.5465396343873038 -4.7107549345721242

Pt 3.9641189255112459 1.7809768898158858 1.4233241927751372

Pt 2.8809674956695703 -1.9154439786245121 3.2009600534144438

Pt 1.7188676048916269 4.1157756719417833 -1.5208924769817269

Pt 1.6465799013449516 -0.1720813254573498 4.8570132608294090

Pt 1.0481051568519864 3.1230376013969909 -4.0308654141595239
Pt 4.2519790182569528 -1.8769439522591094 -1.1483508160775937

Pt 1.7447214997633871 -2.5515902755840063 -0.6111069198739862

Pt 2.3420625629671186 2.4305666736627205 3.4534011065926769

Pt -1.6082359693877109 -0.5234944764819626 -2.6110217773402029

Pt -1.7414084406395582 -0.0769056251495707 1.9730218137680846

Pt -1.0917020844816570 -1.6150099632337593 -0.1431605411394200

Tc -0.3997478351623817 2.7702818817501411 -1.9532828713730399
Tc 0.0033483308135786 -1.2625891159720883 -4.5569923376685075

Tc -2.0898262576705822 -2.2222609607448960 -4.5490147864915498

Tc -0.4096351408494850 -4.1278625961041602 -0.1946107596455443

Tc -0.5372673799520978 1.0964823595125075 -4.3079782499802350

Tc -2.5069248847862067 2.0275993619131651 -3.0006894985845372

Tc -2.8329387649651707 0.0142275337689207 -4.7540178670809956

Tc -4.0618684600111523 1.0920803886027772 1.3731351809598018
Tc -4.2382362552686308 -0.6093734260974489 -2.8225906710171551

810
Tc -2.7939065887504291 -2.7252322400573861 4.0933113236418546

Tc -3.8274742386925364 -1.8366663050174252 1.8825156011460764

Tc -4.6384470730987095 3.1906624439891398 0.6524697748435648

Tc -2.6913609686613365 -2.7983814025949654 -1.8556650718482957

Tc 0.0229541911871215 3.5177311069874517 2.5613127291089355
Tc -3.7886455409322375 -0.9419742023662284 -0.4420760826273825

Tc -1.2849427114445788 -0.8036816334342604 4.4705330270328751

Tc -1.8998126742749066 1.7486276203664299 3.8367864003280476

Tc -4.3443215340495582 1.4435738817356338 -1.2930985064566731

Tc -2.7455468603159199 -3.6272676779369819 0.3783464804942999

Tc -1.3064315782080018 -2.7009714304013643 2.4170156443701059

Tc 0.4398225057189752 -2.3512843195396127 4.1016219357761114
Tc -0.3530816985193391 4.1681922690087978 0.0762471839979423

Tc -2.7349340227339565 3.5373806557691516 -0.8392564997579932

Tc -2.0567212167350819 2.7926447351855308 1.5017848899824007

Tc 0.2594077469989463 1.1082161130813564 3.2846563461320768

Tc -0.2726659993581172 -2.9927763554880547 -2.2527887036784482

Tc -3.7515813453838360 -0.1569784317014492 3.5263677569395950

Pt35 Tc20 configuration: ∆E tot = 0.00 eV

Pt -0.0265513209582698 -2.6886309335121887 -4.4038208776899124

Pt 2.6411305409029397 4.4597205827137758 -0.0734382651718895

Pt 2.6642520513567929 -4.3232739998814882 -0.0024651013307565

Pt 4.3211984085199324 -0.0050572480245555 -2.6538848063476692

Pt -4.3921667324591755 0.1390607996046073 -2.7239149653355965

Pt -0.0121033749530876 2.7250104470507672 4.3763241464323741
Pt -4.3103981619799461 -0.0250405322845867 2.6683526160986530

811
Pt -2.6721118694330044 -4.3302801131793522 -0.0354145805776665

Pt 4.3227245060185320 0.0237919163482080 2.6964938587386018

Pt -0.0097766388873722 -4.5854526890931293 -0.0446564451032345

Pt -4.5178429118584331 0.0710588430248072 -0.0165415639537745

Pt 4.5612314526569717 0.0524620658405825 0.0249250133689527
Pt -0.0218349822328885 0.0443024257855169 -4.6364952614832431

Pt 0.0254341661222145 0.0110244608399193 4.5617255082409951

Pt 1.4265006747839120 -3.7201175290879132 2.2694336302037583

Pt -1.3809326443020500 -3.6912826617330925 2.2256529467983350

Pt 1.3585055122169194 -3.6936850910612522 -2.3028275844096653

Pt -1.4824956318071245 -3.6703907522434474 -2.3644865963217394

Pt 3.6979946030461370 -2.3012723078684427 -1.3965755749057556
Pt 3.6630167733760572 -2.2582745419563928 1.4316591344650229

Pt -3.7018031098306547 -2.2310853669756576 -1.4517061817834676

Pt -3.6850078402865187 -2.2898876337263543 1.3624586944644108

Pt -1.4591076868377211 3.7741277326616021 2.2838550812755747

Pt 1.3354978439162126 3.7636204965439481 2.2336620998164567

Pt -3.6874029023992207 2.2911046626179061 1.4165599454329785

Pt 2.2819684682181123 1.4075395164432298 -3.7137116728154140
Pt -2.3061800109863642 -1.2979617564070534 -3.7474638468529777

Pt 2.2459493429765427 -1.4222644122076833 -3.6502475071082823

Pt -2.2538209536721898 -1.4359206272237679 3.6930082054753064

Pt 2.3001435331948876 -1.3907051922659805 3.7150656870934498

Pt 2.2870741201401064 1.4931421016362516 3.6938489579342226

Pt -2.2629002940111653 1.3921273913251864 3.7053633407355631

Pt 3.6090038723250544 2.3090184386733426 -1.4472261173976546
Pt 3.6585262101788469 2.3343876479915018 1.3924760644250289

812
Pt 0.0215607918107902 -2.6909726829212079 4.2865063017693137

Tc -1.2942482101789448 3.4391179199191058 -2.1321936572880809

Tc 1.2328303399009022 3.5647938302380853 -2.1620838685423931

Tc -2.7036187666166773 4.3032106425047187 -0.0567638667953770

Tc -0.0080604574970254 2.7140824614639398 -4.2881296759051644
Tc -2.1814449113325125 1.4716133585391855 -3.4609595367295700

Tc -3.4254528933599633 2.2550367792154535 -1.4196900666872709

Tc -0.0354032664761073 0.1092287336164394 -0.0687664675567208

Tc -0.0048572960765312 1.3245215850381413 2.2208479654829718

Tc 0.1267293790046470 1.2212369358142179 -2.3750892956912208

Tc 0.1052061832278583 -1.3287439866207484 2.1183078818472123

Tc -0.0441656875787138 -1.3913274529742989 -2.1884214600193346
Tc 1.4241765484950100 2.2011445610762364 0.0715234424186921

Tc -1.4229619662419184 2.2600690500842080 0.2316181214131672

Tc 1.2683176848702158 -2.1797433259110104 0.0215303411407576

Tc -1.2995625269605764 -2.1698847091435951 -0.0871281971991432

Tc 2.1048341355913718 0.0527108072244838 1.4123467618427108

Tc 2.2098987304291078 -0.1724248714027149 -1.1486950947922470

Tc -2.0438905529581275 -0.1739208903385480 1.4110498726655960
Tc -2.2152393717033441 -0.0895343708482098 -1.3477205141056738

Tc -0.0323628994044459 4.3488694850573095 -0.1240769696792135

Pt35 Tc20 configuration: ∆E tot = 1.52 eV

Pt -0.7492456006502465 -4.4868381566103253 -0.1090838757230265

Pt 2.1427545885869543 -2.3595508092957975 -3.0968546514580266

Pt -0.2563152199912918 1.7439131944885877 -4.8597891011552257
Pt -2.2192783217069025 0.0432600603287731 -4.7969285330718323

813
Pt -4.6318507469934165 0.3288893275575449 1.8387450235616407

Pt 0.8958831633298222 -3.8409688515852904 1.8855283976451269

Pt -3.4450138002575939 -0.7197929847947868 -2.5414891677009832

Pt -2.9057331821978543 -3.1005404873641296 4.4075892170563788

Pt -4.5473912277696797 -2.3595663866901684 2.4317417067461387
Pt 5.2381605165866496 0.0419637169542744 -0.5815979583343881

Pt 2.8168999008674294 3.7073982676033141 0.6672498432883766

Pt 3.8768334889123923 -0.2406201698499384 -2.9121590676323508

Pt -2.8402849598924940 -3.3213867184497414 -1.6251854867758708

Pt 0.8559514964847220 4.4955901717093720 2.3922884807381823

Pt 0.2010472581309538 -1.9347606522397465 -4.8376833276536546

Pt 3.0832219193711410 2.1642927926315028 -3.6656042579728219
Pt -0.6049828684423436 3.9971183343112808 -2.2856645586769218

Pt 3.6489814021770512 0.2011416158377993 3.4619672701535702

Pt 3.4004348997776987 -3.4459852889988873 1.1504438848497576

Pt -4.4684737413404916 -1.5384858148940679 -0.1873725316636569

Pt -1.0456822858439825 0.2962208007698786 4.8725072401079590

Pt -2.9038006750135552 1.6955048514912729 3.4517979260428415

Pt -3.7156775401091666 1.0674012192607263 -0.6483521069049024
Pt 4.3561863497747195 1.6065294772462693 1.3206356383648048

Pt 2.3278718067416446 -2.0033345765546415 3.1620071896086031

Pt -1.5418262126443625 -4.3241612536650518 2.5844255210892619

Pt -0.3850156295221846 -2.0058003028715645 3.6286967982015490

Pt 2.1332990611140015 4.0103868254682418 -1.7871444247841146

Pt -2.2148708910811705 3.1285724527697027 -0.4581442625734008

Pt -1.6801113000310637 3.7159177619233037 2.0819741579575508
Pt 1.1745877104898059 3.8715027373396542 -4.3492219193585813

814
Pt -0.0891600830769866 2.6449055199974896 4.0930117073136270

Pt -0.1363913720168493 -3.7078602534493901 -2.6354093470827471

Pt 2.4930101964759199 2.5896533931488332 3.1790483100824116

Tc 1.4716298216434405 -3.0589255286085053 -0.5844192888138807

Tc -0.6742642712739496 -0.5742294371874426 -2.7619643716266973
Tc 0.6404898680144985 -1.1367847160834399 1.2443597667794708

Tc 0.7975168796727402 1.8938633447611291 -2.4150414902190223

Tc 1.6963653129987892 1.2484840038033507 1.0273184502702626

Tc -0.5188161024454893 0.8158931714096439 -0.4477327533145107

Tc -3.9499847608194343 2.7612055684758658 1.3490687667097530

Tc 3.3979848766242546 -0.8696944845778058 1.0053518732252864

Tc 3.3150163915359849 1.6766973006441634 -1.1026713964352681
Tc -0.6666158266366188 1.2663195560625440 1.9737919301146007

Tc -2.3252556548113699 -0.4827513157323444 0.9544390147787192

Tc -0.7522678619764122 -1.9492840118495192 -0.7691289781097931

Tc 1.5321672318440536 0.0960517600357339 -3.8857751020722446

Tc -2.5838409727108140 -2.9221779419640970 0.9048290840628732

Tc 0.2732094179602570 3.2563006207156113 0.2566077645631729

Tc 1.0784455395084376 0.2759839136841030 3.4753655210102949
Tc 1.7258881527371182 -0.3557088365401597 -1.0941336886724708

Tc -2.6676434247118932 -0.8545023485412107 3.2722374444284044

Tc -2.1085058784275028 -2.3947844123680979 -3.8715437557117895

Tc -1.8597222290218975 1.6027478919398619 -2.6158918086898768

Pt35 Tc20 configuration: ∆E tot = 3.78 eV

Pt 1.3449717389737963 -3.7050635156028484 -1.0772701741853838
Pt -2.3404639165437855 1.0911580674095507 -2.4089810148710069

815
Pt -0.8042878767339472 1.5050840556248761 -4.4970252909383790

Pt -2.5119306533717234 -0.5880664213123872 -4.4589405754455997

Pt -5.7165684272556545 -0.1577823191006935 1.4417762954881708

Pt 0.8291125755986163 -3.9201066731388785 1.5613617956127284

Pt 4.5761004301887640 0.6109718899852072 -1.2581800919503126
Pt 2.5854486594842756 3.8991120729213824 1.2410692978518965

Pt 3.7034027698588234 -0.2732120185111562 -3.6343482976945265

Pt -3.8368550393955898 1.8306642922721739 1.5545613379108216

Pt 0.5974402171830555 4.3359004097393230 3.0147435973416452

Pt -0.3113382358338041 -1.9439179276816354 -4.9566728892026264

Pt 3.9237901127497725 -0.6486879663433420 1.0310474426741747

Pt 4.0310033032123389 2.5074246806802014 -3.0655668716314790
Pt 4.4533791340576458 3.1140847762435362 -0.4619814682634783

Pt -0.4978016934510902 3.1475988864622400 -2.3267751167410364

Pt 3.7555638569176484 0.0071161025355469 3.5636114013543181

Pt 3.2670583530031809 -3.2008240037020563 0.6734308230426321

Pt -1.3763056016177471 -0.3104871366632018 4.5403638604781902

Pt -2.7688038122075183 1.9337393722812084 4.0152654766587998

Pt 1.8450205867487046 -2.1985745270171613 -3.3375323148849785
Pt -4.2918386555362202 0.4818048955729130 -0.7385172149352613

Pt 1.4761738056257787 0.0640450402379419 -4.9716015270487803

Pt 4.3664729775233342 1.8657034276715254 1.8243561884790536

Pt 2.3417876658673382 -2.1592632804493270 2.8758875922150540

Pt -0.0603586061814764 -2.5712968065266146 4.0280443700217345

Pt 2.0613151514798735 3.5582754758552033 -1.5286995829372119

Pt 0.0432296424206245 4.0279528705245715 0.1898080239343926
Pt -2.3214142782273823 2.7334021997556084 -0.3973598698614652

816
Pt 1.2403081492505255 -0.1701155817739739 4.2544897284384460

Pt -1.7773825184325629 3.4693032948743427 2.0904538491732612

Pt 1.5059875654009378 2.6281823731860321 -4.0512490504371117

Pt -0.1869712354269834 2.1130717872332374 4.3518584858458196

Pt 3.7924165021200782 -1.9029329902447394 -1.4982193783051345
Pt 2.3524391138398020 2.2518131420938294 3.5725661234091990

Tc -2.4547371150516168 -3.1440803031864384 -3.8079574684414124

Tc -1.1146697537341366 -3.6366605562024752 -0.1834076641213159

Tc -0.0281772042305972 -0.3282102088498071 -2.8284410694143358

Tc 0.9276659137587250 -0.3963983102583590 1.6239553418775143

Tc 2.1090109632246783 1.0300143750822544 -2.1631496223643407

Tc 2.3950523831335220 1.3492920440937313 0.2591444269020712
Tc -3.1416466093108708 -1.4714740520878102 -2.0859349600184669

Tc -2.8451507701614700 -2.3359319962330112 3.4404931089737079

Tc -3.3683006531278137 -1.1991877482501927 1.0389713487483645

Tc -0.1590057538626110 1.2694394119081085 -0.5643712763908767

Tc -3.1333493920713691 -3.9367826505547363 -1.5799039021545456

Tc 0.4802506760281011 2.1006033282261773 1.8427374927009366

Tc -1.5268640849713604 0.4628046132625617 2.0369783940246751
Tc -4.8066692899441845 -2.3571562067873053 -0.5875625764540943

Tc -1.3039553536548878 -0.9790497800878022 -0.5250153789518323

Tc -3.3663709722238435 -3.5838327090810900 1.0084838900561506

Tc -1.0443544712826194 -2.1645125907472895 1.8072076710044227

Tc -0.5756150150077444 -2.7547855807305943 -2.4561850913226135

Tc 1.4922167968408049 -1.0470249705332400 -0.7209696180397430

Tc -3.8254320556401380 -0.3031440540751156 3.2891519927891610

817
 Pt35 Tc20 configuration: ∆E tot = 7.14 eV

Pt -1.3857962548867795 1.5032524569269008 4.0132860067552070

Pt -3.3646477168726880 -2.7421266524626953 0.0658253460803550

Pt 0.7603993279103189 -2.8631518993291980 3.3803990136528945

Pt -3.4685241462183249 1.4165088277548759 2.2951365793380560
Pt 0.9673538385642724 4.1201571556363223 0.8725576320469135

Pt -1.1066853524093700 4.0534218854678503 -0.7660107445204425

Pt 1.2044202546905993 -2.9006285856193754 -1.5221675135188464

Pt -3.4820155646586275 -1.3797083585074474 2.2920885844924488

Pt 3.4113176035711383 1.3876510081185958 -2.0711507252210684

Pt 1.0098484211878627 -4.0017264021828733 0.9439994910612528

Pt 3.3214330610354073 -1.3951222934871732 -1.9937695159621387
Pt 3.4246131011218379 -1.2815811403586324 2.5878470134828575

Pt -3.4499195169871850 1.2119585844528842 -2.3375882429920640

Pt 3.1470743970163664 -3.9129487362658431 2.5909325297400212

Pt -3.2800649485592244 -1.3934727111124501 -2.2959438728653137

Pt 0.7466591634297129 2.9745269788316238 3.3174002760072412

Pt 3.4216488315499030 1.3907499201383113 2.5297946035162733

Pt 3.5097985119250596 0.0257235153963197 0.2590097907762811
Pt 3.2291817300595920 2.7589602950851493 0.1980941097087470

Pt -0.8891057889793531 2.7536501407193374 -3.1251930205617340

Pt -3.0893131745151448 2.4638999514746756 -4.7151698909939759

Pt -3.0452728402640843 -2.6721028375675959 -4.6870866599287258

Pt -0.8199922165581771 1.2727304071959864 -5.4686521121010632

Pt -3.1022254152082041 -4.0745459002200990 -2.3057457754884476

Pt -0.8218567270333962 -1.5439758717237806 -5.5091049371088410
Pt 1.3333076060372873 1.4166401237400696 -3.7536733880926993

818
Pt 1.4301369477940000 -0.1228969086587875 -5.9751311226473272

Pt -1.0575976424189217 -3.9816626477381711 -0.6432459645439663

Pt 1.3408352562544252 -1.6317094834244024 -3.7995114947627364

Pt 3.1006135515953304 0.0775964834392119 4.9255430537645246

Pt -1.3981422699014880 -1.4857778111914739 4.0186970127030426
Pt 2.9968723400612545 2.8035979879997250 4.8027849165326533

Pt -3.4091837561977125 2.6414696481695064 -0.0497015985673127

Pt 0.7842034762652543 1.4010460444277999 5.5051677472583780

Pt 0.7527321406183581 -1.2186209103023600 5.5367467764547724

Tc 0.8792934832282820 1.5017656951441498 1.0453684390202149

Tc 1.1247214959473133 0.0275948020502951 -1.2317454220600645

Tc 1.0771965843763638 -0.0006516729345543 3.1493230297785901
Tc 3.0312154014915471 3.9096335667335813 2.4980515890019044

Tc 1.0594718240519678 -1.2725520519460709 0.9774092775329282

Tc -3.3990122792999302 0.0242542496061066 4.4965589882823869

Tc -1.3568453378464611 0.0458656236577370 1.6804671558316369

Tc -1.1561905290072396 -2.5769898459972969 1.6342424339811250

Tc -0.9286979256848219 -0.2119856681161079 -3.2265480811530471

Tc 3.4154252751598140 -0.0512100031075427 -4.2938574825503188
Tc -2.8929832343065822 -0.0997475202505743 -4.5635063216641649

Tc 3.1644224600726742 -2.5653376460185200 0.3290524620868586

Tc -3.1447174992657789 3.7743214680185853 -2.4145086311104746

Tc -1.1281205106476013 1.4701677397097932 -0.5297903670303552

Tc -0.9955970080498523 -2.6179864356046041 -3.0179505559313826

Tc 1.0916888370517752 2.5353363465565710 -1.4292075601264067

Tc -0.9794507805217466 -1.2424293564394231 -0.6069883434164536
Tc -3.2415946919676810 -0.0705021654525394 -0.0542762033193643

819
Tc 2.8906496109082802 -2.4396773732702375 4.8227432945204800

Tc -1.2329814047096270 2.7883479828378630 1.6186983948306932

Pt35 Tc20 configuration: ∆E tot = 9.14 eV

Pt -0.5819008390447847 1.4918208878086467 -4.5705537402675667
Pt -4.8986736442590590 -0.2617373994134030 -2.9434680391947681

Pt 4.4326670348464914 -0.9985478566097956 1.5188178118817866

Pt 2.1511943330455221 -4.1912061356254959 -1.2112016969414992

Pt 1.4686579841718421 3.0918450205698291 -3.7548294128898245

Pt 0.1730395528750805 -3.4874041942620138 -3.0888955877178090

Pt -0.8617263196009922 -3.6240148989280385 2.2005211302950118

Pt -3.0892116961107208 2.0345175679788285 -3.2351205237076455
Pt 3.8572424188101015 2.3537301776417734 -2.5242991919579074

Pt 2.2721377735515742 0.2391514800281086 0.2815769742217122

Pt -1.9949583354289766 -2.7196565590128308 -4.6854172469481830

Pt -4.7287609516275708 0.2797953464215949 1.6593366005036092

Pt -0.3372090588250088 0.6992671575242422 -1.0591496486229715

Pt 1.1068973721995077 -5.0918637531329072 1.1213592721528811

Pt -1.9182772870938658 -2.4603524429664319 4.4330583735471745
Pt -3.2450538821166801 -1.9579172261331856 2.0526959645826741

Pt 2.6545336608304195 3.6704930080919542 0.6269334198213649

Pt -4.3571573500179595 2.9917104523830957 1.1255696104829052

Pt -2.4250916174086266 -2.9039434191134736 -2.1672873901554679

Pt 5.0983873264941417 2.9587609845497580 -0.2128324911357231

Pt -1.0905875582452942 -0.1535576219429994 2.2320715526012425

Pt 3.8817547827995322 0.4344918831806203 3.7981433285332029
Pt -0.7054192668718252 0.0167017310895726 4.9868178881520491

820
Pt -1.5205080178462684 -1.4616059403334043 -0.0700741208179318

Pt 2.5949432093236799 -2.1702732028734744 -3.3290808605511013

Pt 1.8144153903384581 0.4782807933892222 -3.4245722499989704

Pt -2.7351748056601455 -3.8896792214918987 0.2158881909275457

Pt 2.9537972925406852 -2.1580057848785512 3.6145529029320951
Pt 0.1390508432958090 4.2299662979458423 -0.4412639485556788

Pt -2.6009398580889980 3.4377022076031043 -0.9471523643576228

Pt -1.7332346571399970 3.6412771402038184 1.5547755987752110

Pt -0.4899924418593447 2.3170935297805144 3.6715108976198438

Pt 3.7545524284187972 -2.0021645300727182 -0.8427436347144744

Pt 1.0112560733030238 -1.5232716026252657 -1.4043986548486775

Pt 2.3291224126725378 2.5866238908774788 3.2359147485894502
Tc -0.2608950321811506 -3.7012486996994896 -0.4848636125235528

Tc 4.2454213794792306 -0.2401186159813965 -2.8996431131611846

Tc -0.6927828847413459 2.7579473219903017 -2.3909677298874441

Tc -4.0248584794174311 -1.0067184531655180 -0.4359358559940738

Tc -2.9235361648856193 1.7307934784698829 2.9584310036078039

Tc -4.4806779822269416 1.3410109375912351 -0.9949881575089329

Tc 4.0272668494871429 1.5966198389724640 1.5743151699227047
Tc 0.4751203571963662 -1.9181198362453671 3.7549090243373375

Tc 1.6495165295499481 2.3217460774111158 -1.3127365332909537

Tc 1.4626946607627800 0.1040755576270415 2.9064256381966835

Tc -3.1611568615387333 -0.1891307816057913 3.9911082735911632

Tc 4.6510552054789747 0.4582116895446576 -0.8239791291023598

Tc 0.6326280760577868 4.1723925608010504 2.1621942972875803

Tc -2.4612470781691824 -0.2592391273689573 -2.2577735197562991
Tc -2.4806630129518972 -0.2647520705837995 -4.6103407599238020

821
Tc 0.8153084183838236 -1.8827444232278954 1.2275335161445224

Tc -2.5299823046042778 1.1605478248803562 0.3918501833015293

Tc 0.4685008931786331 1.8995603263187646 1.2098166356836384

Tc 2.6449069117091542 -3.0585873502567322 1.2214414270822718

Tc -0.4363917828383524 -0.9202740231240438 -3.6040002202425701

Pt35 Tc20 configuration: ∆E tot = 10.56 eV

Pt -1.0065559310766210 1.3023265199994447 -0.8049988164148575

Pt 1.0092259351608215 1.3697890554286416 0.8588087759132993

Pt 0.9981727523549219 -2.7091250173405861 3.3753952409493690

Pt 1.1497743034611279 -0.0517660605465848 -1.4534398352161524

Pt 0.9385666054346308 0.0432343126515316 3.1171468656107324
Pt 0.9818825432768968 4.1085963288651559 0.9249969392688259

Pt 1.2570204224533492 3.0381560244045986 -1.5295341600969190

Pt 1.1680833793850358 -2.9598878468253926 -1.4451578517127770

Pt -3.4622324344796511 -1.4260427890134768 2.3125064864894713

Pt -3.4835155621972311 0.0962756681202957 4.5747328027490237

Pt 3.3776622687346540 -1.4156534131653740 -2.0436647599771218

Pt 3.5148859276181890 -1.4098035410810863 2.5933796775771238
Pt 3.2085082562972969 -4.0540648848045482 2.4820464201639281

Pt -1.3082783668525708 2.8787046011945439 1.6887647649196789

Pt -3.3250343063868582 -1.3899859276844431 -2.3012773416418946

Pt 0.7465781178711934 2.9078446567966170 3.3549639619230205

Pt -1.0991666344633575 -2.6912365409754893 1.7201244118418422

Pt 3.4961697585742746 1.3232970139546136 2.5829324571834023

Pt 3.5005844230916554 0.0083116625158770 0.2711673961312687
Pt 3.4121953565166994 0.0478058518110585 -4.3326650095899240

822
Pt -3.1995375434294071 -0.0934396291825121 -4.7752632358737879

Pt 3.2696749535785701 2.7027757445368330 0.1853872603487379

Pt -0.8305463430022854 2.8984268159739637 -3.1815084719939897

Pt -3.0021296903354666 2.5353391596332431 -4.7088024678657288

Pt -3.1266638153100326 3.9882256187242540 -2.3843841124043328
Pt -3.0965982916936725 -2.8096484811902647 -4.5888925138370844

Pt -0.8778576160778152 -1.5609974092256083 -5.3094513228167948

Pt 1.3343394331562688 1.5445127080971179 -3.7550301528124952

Pt -1.0180268495435183 -4.1944125799898950 -0.6166056970360724

Pt 1.2915698746848026 -1.6769671564042370 -3.8268738722150570

Pt -3.5039245181330698 -0.0121447900298672 -0.0717842110410322

Pt 2.9519060456533919 2.6902890981075198 4.8209976969980186
Pt -3.3281715347466565 2.6721941098916036 -0.0637125154739575

Pt 0.6205471703357920 1.4107453276377182 5.6433680078643853

Pt 0.4633718706609340 -1.2695183761940250 5.6881324385494727

Tc -3.3425100920820894 1.3025236152951294 2.2577335512565959

Tc 3.1192531625831843 3.8735177843982518 2.5427216303556914

Tc 1.2078754846501483 -1.3891110670773474 0.9011410641158756

Tc -1.3307952303741890 1.2666081781936054 3.8412345860353811
Tc 3.3751269094080136 1.3343117639702911 -2.0791661248539501

Tc 1.1406973538737539 -3.8545278708297612 0.9946431226533946

Tc -1.3983837086597657 0.0831341526304710 1.6380122052674499

Tc -3.0600266279056485 1.2515431651246758 -2.4616979463369844

Tc -1.0763395799285200 -0.0435650360640887 -3.0526289187971196

Tc 3.2022645201883795 -2.6202280878037127 0.2921061590284838

Tc -1.0552081698551745 -2.7403439111434986 -2.8834054440509127
Tc -0.8124671482645728 1.1167549946327324 -5.2780403185840301

823
Tc -1.1165089065899598 4.0133446195755598 -0.7522999229932613

Tc -3.1402582251407449 -3.9737293760833876 -2.1328130251214303

Tc -1.0718938248276879 -1.5231542030212815 -0.6802896380289304

Tc 1.0794090661039246 0.0138200484755020 -5.8238837424889276

Tc 2.7681718259291381 0.0372086599750223 4.8516841309692182
Tc -1.3374969150823641 -1.1910547212739413 3.8698295602090935

Tc 2.9275485101255647 -2.1206344308037868 5.0394473425384039

Tc -3.1009383647236843 -2.6785741128616740 -0.0861335276356659

Pt35 Tc20 configuration: ∆E tot = 12.21 eV

Pt 1.0659699338605670 1.9117649688507423 0.4954598663125940

Pt -3.4275216625366234 -2.8471445574445804 -0.1589154589517166
Pt 0.4783843271553256 -3.2976598869841798 3.4320610338054229

Pt -3.7377192762924962 1.6522605184527024 2.7322516022551433

Pt 1.1927057718544918 0.0941577833318714 -1.5582561750831894

Pt 0.8412416667340189 0.7771663103718577 3.0709428011964128

Pt 0.4897595999000771 4.3950592720587816 1.2692991161804343

Pt 2.5734344397985089 4.5040519186935315 3.0918977595749846

Pt 1.3267459993895312 -0.8181088297959568 1.0085307568305999
Pt 1.3703336607106043 -3.9441325831829381 -1.5234553963383941

Pt 3.8896433854741321 2.4719979575962663 -1.2882049203290868

Pt -3.5751314121550002 -0.1692377782118398 4.6161162668424938

Pt 3.6863853537467581 -2.8454617749715614 -2.3401770729872746

Pt 4.4359251615294619 -1.1733076951063599 1.8030929647593377

Pt -1.2791429727173018 -0.1278256521658965 1.7489288247694683

Pt -4.6918991414635327 1.2467044040574673 -1.9507949560757201
Pt 2.9663499913037432 -3.6740978256223213 2.2316486617701021

824
Pt -4.3687628831007927 -1.4844849676328393 -2.2251712359070352

Pt 0.1737665261920954 3.3603896297148959 3.7560749900297994

Pt -1.7389761149147900 -2.9156427184317337 1.9011788510351189

Pt -1.9197857705087615 -0.3864482660866889 -2.7082809601242142

Pt 3.7279752355652294 -0.0239302931961927 -0.5173590378062727
Pt -4.5125302625954911 0.1216033534083082 -4.4835913915078729

Pt -0.4742376395982457 3.4369032595547289 -3.7465443359751398

Pt -1.2010794490210930 1.2900659129274479 -0.6749096632721123

Pt -0.4375672121690272 3.8238257822305171 -1.0996347273517604

Pt -0.5769919910553430 -1.3614055162380134 -5.0002615241038795

Pt -0.8407588433525840 -1.4599127100029996 -0.5059316620314762

Pt 3.2805988722296826 1.8530330502971892 -3.8251949927101823
Pt -1.1362666419631562 -4.1462080140467563 -0.5082727878867321

Pt 1.6023826245736446 -2.5294378737319203 -4.0037085926288292

Pt 4.0658514900238920 0.0931746641311299 4.2808536049180388

Pt -1.3788217940312266 -1.4891990745452783 4.1704358449142447

Pt -3.5567802178699979 2.3457906391415095 0.2344663511059757

Pt 0.7006087531218707 1.4827590707717198 5.6902250000247490

Tc 1.4404457302042044 2.5083628275338463 -2.2560752914717974
Tc -1.5366491844741399 1.3359017735656094 3.9748765759859399

Tc -3.6563530483862312 -0.9034467101511575 1.8972199999920505

Tc 0.8048587949029226 -3.3020400380734634 0.9090061577434434

Tc -1.3443962283337798 2.4568574882297050 1.8121379646883076

Tc 3.2503122496048547 1.2896795219413859 1.9387660160195743

Tc 2.9571342270051968 -0.5762711035802127 -3.0691679843739270

Tc 3.0867983476837453 3.2677548772885761 0.9256615420229535
Tc -2.3405231129904820 1.4162654736964306 -4.5246327533893798

825
Tc 3.0348291499494708 -2.4615075178917136 0.0316802054774536

Tc -2.5662496911231241 2.3703008063957434 -2.5913227019596485

Tc -2.9938489692775989 -1.9377238627218900 -4.4748396157982224

Tc -0.6698684013266766 -2.7109609337872604 -2.7346307346838810

Tc 0.1002075285786576 0.9660558854515219 -3.7526314737298119
Tc -2.8131063124866671 -3.5120295409075060 -2.8003239515607361

Tc 1.7314209664186364 0.0226246588210939 -4.9900597915570186

Tc -3.3535778700748584 -0.2105677810172960 -0.1549024023393202

Tc 2.6747034411473241 2.2233089588582642 4.0313925361707126

Tc 2.2866231431995656 -1.4370399481067260 3.3697133177504801

Tc 0.8931497319608039 -0.9725873137375650 5.0433329797587980

Pt35 Tc20 configuration: ∆E tot = 17.21 eV

Pt 2.4857505129717832 1.1249837501407041 -0.2094875749828704

Pt 1.5176376683509760 -3.6642316840400877 -1.0567717196938977

Pt -1.0589661961367502 -4.1626818626987525 -0.5071058438690088

Pt 4.2801980471010594 -0.6063422347253880 -3.2608415486763325

Pt 3.9787398506903928 -0.8936768770517547 1.2515548937499577

Pt 4.3236829545037443 1.7932310612712603 1.5622187864162087
Pt -0.2324106136888781 -2.3069039478237783 3.5622726911357385

Pt 1.0741719406214520 0.0600844018317339 4.2300822084068965

Pt 4.8681916091550832 0.4644557579670207 -0.9362234932810130

Pt -0.3823612718516789 -3.0815509021532010 -2.8469463867106808

Pt 0.2214266204060713 -1.6991825481702481 -5.0243672093328904

Pt 3.4359882866341485 1.9122404367510455 -3.0044879614165900

Pt -1.5987013728492196 -4.4831815122973362 2.2347908098492777
Pt -2.3677120079101299 -2.0634494294655523 -4.6228545348096253

826
Pt -1.1520723410555371 -0.7368336717927233 -1.8137515511101063

Pt 1.2684798878572219 -0.5425858904235359 1.6015362916791656

Pt 0.2641762167813912 1.5591692437254170 -1.5433574869851210

Pt 0.8328722033314283 -3.7845783472905135 1.5805256003548167

Pt -2.4225241628741836 -2.6881370062254564 4.8769366679618864
Pt -2.0194742543039035 1.2192861532891717 0.0912975913123817

Pt -3.0646102595957703 -2.9974410102919644 -2.1536556878702355

Pt 4.4660035259433322 3.1739041579627569 -0.7919586079580991

Pt 0.3829000724907721 1.8992522628866315 1.2508338542528992

Pt -1.4137873764984761 0.0495599002515583 2.4365640889475180

Pt 3.5949133489216920 0.1701438188455436 3.5890216623892144

Pt 3.2945206975037706 -3.4435383546111233 0.9514706157528311
Pt -1.4328268597133200 0.0460276143937730 5.1452675079995673

Pt -0.8128210384325234 -1.8612738391592010 0.5728363615148656

Pt 2.1297367069850730 -2.1452753011923433 -3.2592499743708578

Pt 2.1660378646144016 0.2232170445348515 -4.6665667695705038

Pt -3.5606900927660559 -3.7430368203416275 0.3739898939921038

Pt 2.4366711744509071 -2.2547403719761885 3.1854287196037543

Pt 3.8503831862264541 -2.0474494855542216 -1.1466125716899453
Pt 1.3600612268386687 -1.0676235445356765 -0.9991806704658412

Pt 2.1551538940815274 2.3708079664176029 3.2264161838743122

Tc -0.3226233643177758 0.4348794385769144 -3.9537057314845812

Tc -3.4522532460990969 -0.5034465324693544 -2.8877706354927621

Tc -0.6384339773301939 3.6081050153380789 -2.9022575939389550

Tc -3.2711616313220961 -1.2431060602420947 -0.1315629731430741

Tc -2.8657007389760767 1.9153524169486411 3.5361482479642423
Tc -4.3320935527318678 0.8140821104574334 -1.1090247733408130

827
Tc 1.9930873908195621 3.5356054062189979 -1.4886659229377832

Tc -3.5924322290181356 -0.6756613272658909 3.8113807768059442

Tc 0.4692337592919629 4.2694235787664310 2.2480505147116054

Tc 1.1062259806801240 2.5124922108046475 -3.8631665736575900

Tc -2.2307065496886000 1.7377638997577538 -2.4982021611850933
Tc -2.3821274691685104 0.6207818817404231 -4.8157776748211649

Tc -4.0212480605218754 0.2901761724188189 1.7119417320738486

Tc -2.7000540530999753 -2.2644394357244240 2.2822564046634697

Tc 2.4298395572455931 3.5860465974344216 0.8397682205416930

Tc -4.1314616044440866 2.5312026870523430 0.8379033156754836

Tc -0.1578997202402701 3.9808337614716498 -0.2548277919461210

Tc -2.4487727018153804 3.6269041795368917 -0.8520153302763012
Tc -1.8544552194475865 3.2339574880892115 1.8540534221888723

Tc -0.4657022186006394 2.1963975826407052 3.7558496911993022

Pt35 Tc20 configuration: ∆E tot = 19.02 eV

Pt 0.1473716987990600 3.4474712587171905 4.2915867651244746

Pt 0.5833407980317753 2.7573665793692492 -4.6209371442989555

Pt -0.0433373304571866 4.3713435744573479 -0.2678043742148979
Pt 0.4595233275457490 0.1264372231348980 -4.9140868585044402

Pt 1.5385150735831257 3.3637508621259995 -2.2905544208812203

Pt 1.4059233888536626 4.2097337932316412 2.0762051044893886

Pt -1.1634273052621920 3.6240807834025968 -2.6414363571368469

Pt -1.2617153954985025 3.5457342982442026 2.0379852703222778

Pt -1.8693514059483984 1.7630320747400707 -4.5944205525913437

Pt 2.5843031463916346 1.1991091416952353 -3.6316676538537176
Pt 2.4145568414376704 -1.6299915789892017 -3.8684921691344112

828
Pt -3.4119736151395719 1.9324254992185510 1.6809919605627297

Pt -3.1391449474356801 1.7352269779295564 -2.1775856688962971

Pt 3.6530758768892078 -1.8433573672152448 3.1810815546566102

Pt 2.1483824531264002 1.8751618451274610 3.5200449503493179

Pt -2.2067572974552792 2.0226723586705595 4.1155519594325805
Pt 3.8992637570501354 2.3152617583562143 -1.3979276138897820

Pt 3.6258464622207192 2.7395155718758244 1.3531891364975019

Pt -0.2231793297190622 -2.4435077934435760 -4.9238818824315080

Pt 2.6221691892603882 4.5070910881343114 -0.2760851365790232

Pt -2.5189529991656601 3.5768764657378522 -0.3045171651642436

Pt 4.2816408997958888 -0.4367790004118545 -2.2129225832450063

Pt 0.0184297583290146 -0.9749767621840505 0.3584873502394589
Pt -0.3335374024301473 0.8820130346672488 2.4425688077044887

Pt -0.1941049327746570 1.1868356894159369 -2.3860261205191544

Pt 1.1948199134162625 -1.2276799028368475 4.0974364815674473

Pt 0.3735783156977800 -1.3389518365132169 -2.2496098755178022

Pt 1.0512408605322610 2.0996713389959916 0.5290974187639926

Pt -1.4530915727207754 1.2023705822545401 -0.1328764038974373

Pt 1.7249437748144736 -3.0677513598880091 1.2885013949842372
Pt -2.4625746640243436 -1.3686421760446781 -1.0190707965661343

Pt 2.0946708307915931 -0.1716716641809439 1.6979543496814791

Pt 2.0940726254988684 0.4188174235933254 -1.0974760923278903

Pt -2.3182673736866453 -0.7776040150218045 1.6163239434597811

Pt -4.3471508467601678 0.3012034660481089 -0.1598136889704969

Tc -3.8740020027030235 -0.5505519507170796 -3.0729137989367308

Tc -2.6657628356051561 -3.8543235958771889 -0.1563657649645270
Tc 4.2858607312949886 0.6113708731353212 2.7639052140057729

829
Tc -0.2754907579035822 -3.3528455969894480 -0.6496116032598961

Tc -4.8108454789210295 -1.2534448962611371 1.8066369136719496

Tc 4.3237257679098722 0.3812698187773247 0.4354197310145668

Tc 0.1032609419717957 0.9847242481001576 4.9617228238383992

Tc -0.5227348587913617 -4.6616055592032870 1.3935139609939300
Tc -0.6228201852735419 -2.6583765119291884 2.4611823416897027

Tc 1.0090377827379564 -3.7674853779174660 -2.9685766220742931

Tc -1.6578582920831360 -3.1140240831533808 -2.8618404644212729

Tc 2.6998751754372883 -2.2379612197298755 -1.1086554768632524

Tc 4.1540160163809867 -1.8767897746706190 0.6466610397652180

Tc -3.8134828940152494 -3.1601210246558376 -2.3196406487623973

Tc -3.0686978858341818 -3.1992881886244167 1.9187604443934274
Tc -1.7860825353205096 -0.6140457158495548 -3.6088665013362586

Tc -1.5859203843357124 -0.5899303286003380 4.1854928944229348

Tc -0.8030450913571899 -2.6568579883131269 4.7621346209149049

Tc -4.0393543083241044 0.1196792022560846 3.3449319169503258

Tc 1.9812185211474898 -4.4716815621914439 -1.0537049102576617

Pt35 Tc20 configuration: ∆E tot = 24.58 eV

Pt -0.0078358656882324 0.0201247173562007 -0.0196617202859446

Pt -0.0087003400996920 1.3985734857737777 2.2474218990492796

Pt 0.1396631847414423 1.4063500260793209 -2.3488253299251056

Pt -0.1046543855543124 -1.3952524786730158 2.3112382545963071

Pt -0.0142047002995284 -1.3747013809384530 -2.2842464169096415

Pt 1.4191293833739684 2.2621649597638465 0.1089023979541875

Pt -1.3079271451263792 2.3723153553052958 -0.2495866498584325
Pt 1.3331429396903971 -2.3194666236256976 0.1554487787550873

830
Pt -1.4023544624989537 -2.2482540069890780 -0.1019505714921401

Pt 2.3825795406350410 -0.0809611052126973 1.3698328367236925

Pt 2.2465716126025521 -0.1033741629505014 -1.3851200539176522

Pt -2.2403126222409440 0.0983887569158539 1.3856776390199417

Pt -2.3876882351286426 0.0978354266632378 -1.3717677595822537
Pt 0.0202085158040816 4.7147261024866065 -0.0510209708892358

Pt -0.0696940368551892 -4.6872180717649945 0.1148677780753453

Pt -4.6149384447216688 -0.2825915837208415 0.1956910731457875

Pt 4.6288678033592232 0.2581347148177121 -0.1830721020725748

Pt -0.1552232905363379 -0.1004521897750248 -4.6869153799744696

Pt 0.1624710146040791 0.1255243258506064 4.6518576637510076

Pt 1.6998939495077976 -3.5147057835703812 2.5523433736730556
Pt -1.0985495325518135 -3.8856872047526099 -2.3549740810173470

Pt 3.8491353723350623 -2.2311827147330097 -1.5237709835205762

Pt 3.8974673692957591 -2.2519452854476629 1.2057050571193282

Pt -3.4337340499017417 -2.4186451503452320 1.7035983582351373

Pt 1.1103299336354251 3.8909601827321385 2.3335700735366913

Pt -1.7197605733778558 3.5150176109148963 -2.6434493818480829

Pt 2.2491173623807277 1.1619238698867427 -3.9514918420005731
Pt -2.4430142464587123 -1.6319405283715918 -3.5557523995240903

Pt 2.2127843525014810 -1.7339454323561536 -3.7201543186083392

Pt -3.8693569687909983 2.2024498717139269 1.5786926036671536

Pt -3.9092826258303619 2.2559837699621168 -1.1569104177991363

Pt -2.2201052796926257 -1.1830479107404892 3.9466913944398159

Pt 2.4153929420212368 1.6439411057959623 3.5661280034043048

Pt -2.2281925602778365 1.6703726674130179 3.7521547574675385
Pt 3.4176327655374683 2.4066050546658388 -1.7075766167751147

831
Tc -1.2339415895747758 -3.7348669702588695 2.2406417428022274

Tc 1.5709167111600668 -3.7140323554035657 -1.9863335839527390

Tc 1.2358218269276491 3.7755556672881516 -2.1897156001439000

Tc -1.6153602701192153 3.6374999945058621 1.9930964509156226

Tc -2.1736084442661223 1.2467130670774724 -3.6804104083848919
Tc 2.1905245102953739 -1.2526176072418769 3.6701735632510024

Tc 3.6744659027665856 2.3011751044887450 1.2795220522262614

Tc -4.1182320461607835 0.4618699525798012 -3.2111811015798719

Tc 0.1572430210880243 2.7265895093642252 4.3727979591650534

Tc 0.5447045061896681 3.2019779207582784 -4.1371563593374150

Tc -0.4671616807822051 -3.1347410268682014 4.1722512136382974

Tc -0.1912982377956171 -2.6882725969839196 -4.4119645562864447
Tc 3.0671921763895202 4.2064809118586375 0.4529237600010778

Tc -2.7773700143762210 4.3797452535785650 0.2527656745877366

Tc 2.7356726328535781 -4.3939536225327993 -0.2339588181051753

Tc -3.0111518476631809 -4.2251415867721978 -0.4285279464937311

Tc 4.1205553996288815 -0.4483646390673484 3.2179941580802880

Tc 4.2646737086955895 -0.0113809464875218 -2.8694011018161310

Tc -4.2628032291490774 -0.0566924529407748 2.8792721821368814
Tc -3.6597017125016520 -2.3355639670723272 -1.2663642273170956

Pt42 Tc13 configuration: ∆E tot = 0.00 eV

Pt -4.3410233133238760 -0.0000000000000052 -2.6739684340623082

Pt -0.0000000000000060 2.6739684340624650 4.3410233133238707

Pt -0.0000000000000060 2.6739684340624650 -4.3410233133238743

Pt -0.0000000000000060 -2.6739684340623140 4.3410233133238707
Pt -0.0000000000000060 -2.6739684340623140 -4.3410233133238743

832
Pt 2.6739684340624641 4.3410233133238698 -0.0000000000000041

Pt -2.6739684340623153 4.3410233133238698 -0.0000000000000041

Pt 2.6739684340624641 -4.3410233133238751 -0.0000000000000041

Pt -2.6739684340623153 -4.3410233133238751 -0.0000000000000041

Pt 4.3410233133238689 -0.0000000000000052 2.6739684340624681
Pt 4.3410233133238689 -0.0000000000000052 -2.6739684340623082

Pt -4.3410233133238760 -0.0000000000000052 2.6739684340624681

Pt -0.0000000000000060 4.5941128802396047 -0.0000000000000041

Pt -0.0000000000000060 -4.5941128802396154 -0.0000000000000041

Pt -4.5941128802396163 -0.0000000000000052 -0.0000000000000041

Pt 4.5941128802396038 -0.0000000000000052 -0.0000000000000041

Pt -0.0000000000000060 -0.0000000000000052 -4.5941128802396145
Pt -0.0000000000000060 -0.0000000000000052 4.5941128802394422

Pt 1.4011045212981812 -3.6683454784770473 2.2772450198449050

Pt -1.4011045212981983 -3.6683454784770473 2.2772450198449050

Pt 1.4011045212981812 -3.6683454784770473 -2.2772450198449081

Pt -1.4011045212981983 -3.6683454784770473 -2.2772450198449081

Pt 3.6683454784770309 -2.2772450198449090 -1.4011045212981912

Pt 3.6683454784770309 -2.2772450198449090 1.4011045212981832
Pt -3.6683454784770433 -2.2772450198449090 -1.4011045212981912

Pt -3.6683454784770433 -2.2772450198449090 1.4011045212981832

Pt 1.4011045212981812 3.6683454784770295 -2.2772450198449081

Pt 1.4011045212981812 3.6683454784770295 2.2772450198449050

Pt -1.4011045212981983 3.6683454784770295 -2.2772450198449081

Pt -1.4011045212981983 3.6683454784770295 2.2772450198449050

Pt -2.2772450198449099 1.4011045212981819 -3.6683454784770415
Pt 2.2772450198449032 1.4011045212981819 -3.6683454784770415

833
Pt -2.2772450198449099 -1.4011045212981976 -3.6683454784770415

Pt 2.2772450198449032 -1.4011045212981976 -3.6683454784770415

Pt -3.6683454784770433 2.2772450198449015 1.4011045212981832

Pt -3.6683454784770433 2.2772450198449015 -1.4011045212981912

Pt -2.2772450198449099 -1.4011045212981976 3.6683454784770326
Pt 2.2772450198449032 -1.4011045212981976 3.6683454784770326

Pt 2.2772450198449032 1.4011045212981819 3.6683454784770326

Pt -2.2772450198449099 1.4011045212981819 3.6683454784770326

Pt 3.6683454784770309 2.2772450198449015 -1.4011045212981912

Pt 3.6683454784770309 2.2772450198449015 1.4011045212981832

Tc -0.0000000000000060 -0.0000000000000052 -0.0000000000000041

Tc -0.0000000000000060 1.2592233958832173 2.1887782782268883
Tc -0.0000000000000060 1.2592233958832173 -2.1887782782268967

Tc -0.0000000000000060 -1.2592233958832253 2.1887782782268883

Tc -0.0000000000000060 -1.2592233958832253 -2.1887782782268967

Tc 1.2592233958832191 2.1887782782268848 -0.0000000000000041

Tc -1.2592233958832260 2.1887782782268848 -0.0000000000000041

Tc 1.2592233958832191 -2.1887782782269025 -0.0000000000000041

Tc -1.2592233958832260 -2.1887782782269025 -0.0000000000000041
Tc 2.1887782782268865 -0.0000000000000052 1.2592233958832211

Tc 2.1887782782268865 -0.0000000000000052 -1.2592233958832240

Tc -2.1887782782269039 -0.0000000000000052 1.2592233958832211

Tc -2.1887782782269039 -0.0000000000000052 -1.2592233958832240

Pt42 Tc13 configuration: ∆E tot = 4.78 eV

Pt -3.9688573438861874 -0.5738642744377860 4.3047746054369966
Pt -2.6446566404093326 -2.4344789302053238 -4.3542010501007011

834
Pt 2.3523677411472379 -3.3743877283430943 -1.1304000839439423

Pt -0.6309260277897013 -3.9718795441844863 -0.4529113363062170

Pt -2.3368968691122860 1.4794756250005161 -2.8117161583474037

Pt -0.3486150016489016 1.4585462376659402 -4.6715923294477788

Pt -2.6071098679747742 0.1032906627396685 -5.0256641146171743
Pt -4.4240093144152777 0.2743725336079087 1.7754949397481317

Pt 1.3643479354260288 -3.4574400824165901 1.3748765849967075

Pt -3.9583775758812014 -0.7017599090885973 -2.7004371553310600

Pt -2.2416247136936303 -2.6795150228753606 4.4534332136712829

Pt -3.6641480216421756 -2.1886187122599088 2.3169060983728524

Pt 4.9642428133723957 0.2128430280186371 -0.0837397628887905

Pt 2.7600322642520725 3.4381597904298493 1.0962075177511765
Pt 4.1159685554266554 -0.6952746549858420 -3.8011393551999797

Pt -4.0275412695296673 2.8114094485834449 1.2527702797458440

Pt -2.9303834295367763 -3.3456600672533838 -1.9724111401917743

Pt 0.7848453639237974 4.2023946831175900 2.7091385901853950

Pt -0.3334744476566178 -1.3137161533784909 -4.9030468306846879

Pt 4.0434317773565178 1.4222510497260208 -2.3506554947298435

Pt 4.8099097507907329 2.9220717820923383 -0.3715720668920311
Pt -0.0849669814305054 2.8209499630565049 -2.3348395106451099

Pt 3.9195203439801354 0.2352868306532986 4.0009269472153077

Pt -4.3775917683539367 -1.5341944562119025 -0.2247637356930018

Pt -1.3498425403875463 -0.1775191586443614 4.4526212618791314

Pt -2.9667064407178194 1.8130661856757120 3.5321907715178380

Pt 1.8653774658584832 -2.1445150472841443 -3.4947931697874361

Pt -3.8760900663054829 1.0172626013297994 -0.6949426879854509
Pt 1.9290125244942782 0.0011092866985287 -5.0542013413920035

835
Pt 4.7882719463832704 2.0175762863049349 2.1527657502714153

Pt -3.3693979958185611 -4.0016974579461859 0.4757807226325085

Pt -1.3038146540926163 -3.6016846669248097 2.0552793320724332

Pt 0.2605333106270391 -2.3279206730568407 3.6172806543732845

Pt 2.4328245534739055 3.4680934923686131 -1.5466697770309770
Pt 0.3181554233016499 3.7415456162628322 0.1294543830902172

Pt -2.1528358038709108 3.0593768861626707 -0.6325090127474079

Pt 1.1896869423651955 0.1414789615263287 4.0417183420504577

Pt -1.6353384544713363 3.4866609066034293 1.9622090770029377

Pt 2.0405179774636641 2.2831888240707974 -3.8345255745518014

Pt -0.3804084402270691 2.3063894494511388 4.2232630475774737

Pt -0.3900960287123065 -3.3268871011537224 -2.9835154042529504
Pt 2.4506940588233177 2.3895250444321046 3.5502616579894126

Tc -1.4690254440316870 -1.0726746770486826 -2.3782361866907658

Tc 0.5717380644750467 -0.8456361676798341 1.4083113113253989

Tc 0.7712046598752015 0.2088685731455977 -2.6332252136187382

Tc 1.5471829032917601 1.2998860819100171 -0.4128852586908546

Tc -1.0469287683348283 0.7295827895234789 -0.5252592339302135

Tc 0.2312151697366003 1.6216900537216825 1.7955106347739793
Tc -1.8075718087629025 0.0990573045638176 1.9290933734438966

Tc 3.6121970298040553 -1.8896741764081577 0.6769665269818198

Tc -1.9076123600262334 -1.7235017030271575 0.1857901400976362

Tc 2.6121751845560262 -1.6654730589348679 2.7939425401776026

Tc 2.9608713852350088 -0.7878871417750810 -1.4920619773536203

Tc 0.5703092341856868 -1.6266301064759932 -0.8664764746560557

Tc 2.9682136990945081 0.3970806935573968 1.4714231333266286

836
 Pt42 Tc13 configuration: ∆E tot = 5.67 eV

Pt -3.7270936152456864 -1.2184054526973871 -2.6283741656242490

Pt 0.8906049055796226 -1.4049683617436937 -1.2289077102878436

Pt -4.9099780259672654 0.2668236086582507 1.7582435923573110

Pt 3.7777603180359174 -0.1698501982685947 -2.9655860431866992
Pt -0.8282561874209169 0.5302218849081383 -1.7997347207873995

Pt -3.0436340271789124 1.5261675257837195 -2.7798466410021936

Pt -0.1282015543305314 -0.7681209623644447 1.1053020709875638

Pt -1.8945125613444469 1.4191269620958129 0.5843081123399780

Pt -2.2044074661985729 -2.8057037466550123 -4.1778415915119842

Pt 2.1943455520679040 -4.1212897765312357 -1.4904089625545085

Pt -0.0517592592070841 -3.8314850839637140 -0.1212703521987973
Pt -0.6603786100694018 1.8804678749319745 -4.1636779889606297

Pt -2.3486087579392363 -0.1528267261789113 -4.7116143747231236

Pt -2.0339392736188131 -2.4265522139502189 3.8671990252910740

Pt -4.3984806195130330 -2.3258939105351333 2.4095123842182873

Pt 4.8891406258142744 0.3489624426302798 -0.6221414086402519

Pt 3.0300278221780754 4.4872987999318701 1.2655777872270679

Pt -4.2551938139039551 2.6448685803645460 0.7474976124934125
Pt -2.3450982084136198 -3.3239941483557893 -1.4465517363319562

Pt 4.6453569065463780 -1.6261223687957538 1.2549950310539755

Pt 4.0781920579890789 2.4250023784579096 -2.3349586164917380

Pt 2.8681843901125932 -0.8141149433205122 3.2088944752354589

Pt 4.1193718023451851 -4.0264944729358385 0.2773980143225354

Pt -4.4977695208250354 -2.2953283242830640 -0.2224807660586861

Pt -1.4091177917942075 0.2245859049294702 4.4657747292660313
Pt -3.0476374029443347 1.9583808471580462 3.0963726635493112

837
Pt 2.1162429171831874 -2.1802731318013069 -3.4916509074269917

Pt -4.4812864450122110 0.4812550766142715 -0.7926329629229600

Pt 1.5079445269354923 0.3069105137095185 -4.3248814681912560

Pt 4.4735778597093665 0.9962836526949935 1.9400552461548974

Pt 2.6003670744745184 -3.4275144540718276 3.2936568992850557
Pt 0.0030044951326278 -3.4219506701771905 2.4413408523662481

Pt 0.5750566765596357 -1.8339926650341150 4.4647595221211906

Pt 2.1994496562061485 4.2763612724010720 -1.3527037493106668

Pt -0.3927925183215084 5.1204993565700390 -0.5274311453877636

Pt -2.3889072060881249 3.4198505369107881 -1.1694205776887427

Pt -1.9431971738958014 3.9346987899931527 1.5729083746061816

Pt 1.7570632830312070 2.9747244357518650 -3.7374692551800948
Pt -0.3806967675882678 2.5391671695425027 3.3051839025442735

Pt -0.0853069471056203 -3.6524030072111486 -2.8216268780309655

Pt 2.2395774459173583 2.1637903731109054 2.6782191456638715

Pt -4.0352567546593789 -0.3400032558563970 4.2711506714028546

Tc -2.5665108468342894 -0.5874403054587276 2.1992808065873208

Tc 0.6643396114568606 0.2733246149058275 3.1767601924443043

Tc 2.0743945276516516 -2.5665261026593655 1.0282734264227975
Tc 0.6285711962232573 3.8553157825326694 1.3498920794098952

Tc -0.3647533112795347 -1.2220728485104215 -3.6176008667453439

Tc 3.2556132597387668 2.3209564835111149 0.0331253897731167

Tc 0.0257439805180430 3.0518897770538169 -1.9258255566151350

Tc -2.1323336614934991 -2.8558778558026972 1.1478631722089077

Tc 3.4479773898496964 -1.9336425874139176 -1.0898795897298399

Tc 2.4726793276084806 -0.0773740369392579 0.4511636407716655
Tc 0.6178303040513198 1.8408178936953503 0.3519874416944283

838
Tc -2.3889561021892058 -0.9453610820460907 -0.4134394101509402

Tc 1.7916465174658471 1.0878301547138596 -1.7887388160582582

Pt42 Tc13 configuration: ∆E tot = 6.43 eV

Pt -3.2737469879570837 -0.8023346254638088 -2.7283716628707686
Pt 1.1170829716189816 -0.7066325364041366 -0.9863197139369414

Pt -4.9307328718506511 0.4566779622462558 1.3544466252014260

Pt 3.3822498476373162 -0.0589336838898191 -3.0240766971043342

Pt -0.8805082836074519 0.9767479760279766 -1.4107909936649643

Pt -2.5769098909746901 1.8082121042770196 -3.2937264892108593

Pt 0.0807798519391634 -0.3302257501699599 1.3952013360502238

Pt -2.3138562191414134 0.6610954337030903 0.8509814785965223
Pt -2.2236253659718934 -2.7837084966762133 -4.2554088896217879

Pt 1.9666364747061142 -3.9770305114871132 -1.1492477145503475

Pt -0.4977512856116825 -3.6362607291534101 0.0104671063590306

Pt -0.5531484764028164 2.1774835167590516 -5.0308007794395913

Pt -1.7623035180122628 -0.1816219290086678 -4.9151160502793951

Pt -0.9695496576734913 -2.1219629506911462 4.8764340262218635

Pt -5.2099866055490685 -2.1839626801023324 1.9332120549994729
Pt 4.7855354784764552 0.4678419337153665 -0.8361357846011156

Pt 2.5417209209210037 4.8437742802064632 0.6174621472735976

Pt -4.2330643853660987 2.9248627518261721 0.8522107904114992

Pt -2.8260480662402863 -3.3971561923310314 -1.6055340491984686

Pt 5.0966559583557736 -1.5067826558896238 0.9240768310188067

Pt 4.0882078343040504 2.4333054301993169 -2.4927122360344267

Pt 2.9495462166448090 -0.4977209746809781 3.6592038003139344
Pt 4.0827299929739089 -3.9524630166906709 0.3827279830042246

839
Pt -4.3460934970635750 -1.5079878971429370 -0.4311805420430251

Pt -1.8863204812527730 0.3633213371804060 4.8481690614889725

Pt -3.1622303252796335 1.8674482418139999 3.0856622811662966

Pt 1.7847425568718993 -2.1400133874201699 -3.1783766511010390

Pt -4.1142557050412947 1.1705038080270742 -1.1750761091042590
Pt 1.0026884361810018 0.1915874592980410 -4.2366598629582342

Pt 4.1826885033554282 0.8897312111436917 1.6803173805932963

Pt 3.9292818064057125 -2.9052439290057106 2.9316386820006302

Pt -0.5488520349515987 -3.4742918658986937 2.6009645546022528

Pt 1.5051590045754624 -2.6820303790538622 4.0720195251595994

Pt 2.1397265417013709 4.2215625195907380 -1.9504414778715169

Pt -0.0683138302661385 4.4124468573059241 -0.4199556436497328
Pt -2.3394786305970574 3.2193124104904838 -1.0551873676476495

Pt -1.7015764399890068 3.4350587372917123 1.5417949740364374

Pt 1.8632874370955606 2.9497030896652814 -4.2576921200836688

Pt -0.5094098001040216 2.2726513185887507 3.6766960561035815

Pt -0.2941125107057904 -3.7785337977980658 -2.6115472721775608

Pt 1.9798769985113689 1.8159897763891129 2.7555089744408714

Pt -4.0831196051613343 -0.6224962312510964 3.6687842700339299
Tc -2.0047753093902978 -1.3105828370740071 2.5977671720613755

Tc 0.4221270941250323 -0.1516731226133070 3.8423324934414333

Tc 1.7763140410524798 -3.2856259700234132 1.4192868605762079

Tc 0.7179945809030340 3.8366938093879233 2.0095520232275517

Tc -0.6752174531837239 -1.3337019301772082 -2.9652181959789821

Tc 3.0513534080833793 2.4139859744620940 -0.0537272509699381

Tc -0.2766900990031591 3.1315864058708232 -2.6952461898573943
Tc -2.7939186195870094 -2.8680004214451587 1.2309620764978446

840
Tc 3.4288675095349102 -1.7960004785721375 -1.0373227792137729

Tc 2.4764063811004640 -1.2289849372655199 1.1760581196317228

Tc 0.7457697897587375 2.0270086455396625 0.4463824497657273

Tc -1.6523786955992743 -1.4083477742561055 -0.5976699920037921

Tc 1.6105450147011595 1.6617187006298710 -2.0467786191047632

Pt42 Tc13 configuration: ∆E tot = 8.31 eV

Pt 0.0030154011691601 1.4089929535101773 2.1478487127764896

Pt -0.0008367759724368 1.4060163669718737 -2.1321434547063829

Pt -0.0180398934115176 -1.2442994492359722 2.2350607023192302

Pt -0.0125308473657904 -1.2966752544443421 -2.2015060975505389

Pt -0.0237091953505280 2.7004430000562580 4.4127714406159688
Pt 1.4252295570374900 -2.1229169646660631 -0.0004525635456316

Pt -1.3887123591286421 -2.1110249468214559 0.0017791227924405

Pt -4.5310521472105014 -0.0005025723818313 -0.0065346914961047

Pt 0.0147463056967277 2.6726119344116741 -4.4269534051459418

Pt 2.5878811178034109 4.4899036326049337 -0.0231860340937868

Pt -2.6119462909703692 4.4737728715141616 -0.0284182270772595

Pt 2.7538748800384645 -4.4045033687659849 -0.0650206434739622
Pt -2.6531360183207586 -4.4406771654186326 -0.0135172411935986

Pt 4.3104909870208195 -0.0269586671287305 2.7740979145619491

Pt 4.3755310170770203 -0.1446778172970307 -2.7223312631743291

Pt -4.3246661312159382 -0.0566509789866334 2.7523606880749463

Pt 2.2610877053095209 -1.5127671095038724 -3.6875557561140719

Pt 4.5443402241717603 -0.0502545874400466 0.0110025514195559

Pt -0.0123990158247556 -0.0669814051010045 -4.5923682404928972
Pt -0.0129270764938432 -0.0467211489327944 4.6185410590030340

841
Pt 1.3861280064462111 -3.7030086197714005 2.2677184374679742

Pt -1.3168793591443813 -3.7311736795292911 2.2693980225822563

Pt 1.3707979278459117 -3.7288247783647011 -2.3095748606052999

Pt -1.3872157102427305 -3.7003033509541523 -2.3098137150333935

Pt 3.7200927714322436 -2.2774747597320126 1.4163567055054929
Pt -3.7068789754205849 -2.2373382350679303 -1.4454739766481564

Pt -3.6671209209968203 -2.2963547093440426 1.4026930649730209

Pt 1.3918762893077112 3.7448761738077381 -2.3094242857963452

Pt 1.3574487486499529 3.7761013313967431 2.2909006535202177

Pt -1.3817655509941276 3.7353111537362262 -2.3138350373617658

Pt -1.3969284776861419 3.7537635798160682 2.2727164119325454

Pt -2.3147196163800201 1.3865986135295163 -3.6937795920573788
Pt 2.2795078910102218 1.3322431299896187 -3.7072647051109819

Pt -2.2936730197692832 -1.3928848826240559 -3.6866836465485719

Pt -3.6588311846226107 2.2876609330727677 1.4120083439753517

Pt -3.6591039107548626 2.2901372046535053 -1.4257312194578677

Pt -2.2503367131349230 -1.5029590573061675 3.7209508157842026

Pt 2.2411890785186426 -1.4599130085854675 3.7286936717420267

Pt 2.2632350391080691 1.4094775459990934 3.7314122597639021
Pt -2.2820447318684547 1.3893748360018727 3.7168537033590114

Pt 3.6678890369565580 2.2577890141895298 -1.3946043062419058

Pt 3.6507352685060952 2.2983766979371070 1.4395044639530457

Tc 0.0412983874468676 0.0512496412261742 0.0153845468219849

Tc -1.4494776619176593 2.1534076809321800 0.0046926302225980

Tc 2.1914286674719317 0.0568927456079497 1.3180302225547758

Tc 2.2112524026687286 0.0526727825096784 -1.3490956259849773
Tc -2.2317885821597132 0.0398128198102770 -1.3466795779209453

842
Tc -4.2758105993870883 -0.0181794518043141 -2.6767896436291010

Tc 1.4869608006204107 2.1981780251324285 0.0045580133044082

Tc 0.0028116887097846 -2.7334334108602509 4.3207728277178159

Tc -0.0213801106852010 -2.7382058821639164 -4.3655158933988680

Tc -0.0051486915704773 4.2811204444500133 0.0115048453499287
Tc -2.2012855526675654 0.0651511668324265 1.3358847735942194

Tc 3.5480128639792232 -2.2196869387746943 -1.3712882504664261

Tc 0.0034830566647913 -4.4465840786932054 -0.0279546513619002

Pt42 Tc13 configuration: ∆E tot = 9.48 eV

Pt 2.7861459149857177 1.8655853063672836 -4.0151798953686120

Pt -1.6770922528753682 -5.1935492754049406 -0.6794151848280524
Pt -4.2743259783111718 -2.2141672325192578 2.2922569852771670

Pt -2.6097833156280661 2.2282369479064745 -2.7210039390457639

Pt -0.2446829891107249 2.2079140460711297 -4.4012640404696421

Pt -1.8718988264182215 -1.7941360743768768 -4.0706375336987479

Pt -4.5446886497234580 0.4280432956265796 2.0114098348738363

Pt 0.7708899409467072 -3.7455402988070778 2.4350928043363371

Pt 0.5287963017422053 1.1752968025683022 -1.1854534208592851
Pt 2.1101025075034170 -0.4430696859563505 0.5014050647885114

Pt 1.0478236671559040 -4.9310265306766041 0.0476308636961392

Pt -3.6370544139033658 -0.2196055606477936 -2.5639234130970250

Pt -1.9107037299315903 -3.4618975840200994 2.6997743497431674

Pt 4.8572652846694515 0.8520066500055787 -0.4721051400859360

Pt 3.1219599078038702 3.6484587925350782 0.8878088903110687

Pt -1.5081120327292923 1.3595229194614078 0.5502273781370145
Pt -4.2749530343126745 2.9719663980588424 1.5416015269505339

843
Pt -3.5771872292751787 -2.9291306015668899 -2.1186434446985394

Pt 0.7669880887124980 4.5603684212437452 1.9383518805086097

Pt 0.6650421093164879 -2.7892929713129448 -4.0009025976758448

Pt 4.5266024387670747 -1.0781139054051994 1.5923235042604285

Pt 3.4917248384576554 2.8360868616772650 -1.5858233224110379
Pt -0.9651143130144213 4.2665764988353221 -2.3954913396203001

Pt 1.0416877570531482 1.9049043521931961 1.3489000324193232

Pt -0.2783206667295503 -0.6299560772116717 1.6851873277315450

Pt 3.6248495474002236 0.3492810878956505 3.8378482440176449

Pt 2.8540004472593612 -3.1571665589506668 0.8049527157478648

Pt -4.5485720362468873 -1.0874328376185625 -0.1842157928310155

Pt -1.1472755616183818 0.5972891587270377 4.8066301358262313
Pt -1.8096478455572629 -0.9650666497225899 -0.7249560154648805

Pt 3.2468889849631370 -1.8388034668817814 -3.5294415342412031

Pt 1.1476227495047615 -0.2051230633499288 -4.1952008376767882

Pt 2.3308580076734291 -1.7666880421865778 3.0704964010784925

Pt -0.1223758556783360 -1.8343454758526303 4.1291664030188873

Pt 1.3339973912701877 4.7941005231236637 -0.8332081338548937

Pt -3.1282718249567876 3.9821287419193223 -0.6673691953595234
Pt -1.9773944352029269 4.2946766254086439 2.1051818024692159

Pt -0.2760287011542217 2.8386889789131575 3.7126966259788232

Pt 0.5654027520511289 -5.1129398290570300 -2.5548980910793042

Pt 4.2078384357096299 -1.7549123403264553 -1.0434416282997216

Pt 0.7039414413763254 -1.5148858550165565 -1.5047274085596525

Pt 2.5211732030887584 2.7997483628452202 3.4894352753953592

Tc -1.0788621738964719 -3.2952300413352060 -2.1640789044491799
Tc 2.2686378994188683 -3.3763887974785547 -1.7005542286167268

844
Tc -1.0860370681594269 0.3048194619221504 -3.0178692467019381

Tc 1.0667024318518639 0.5472359138473690 3.6346268118502749

Tc 2.8881359882953159 0.1929262068005358 -2.0712697341838915

Tc -2.4732216825751481 1.7000341696070358 2.8145305993095180

Tc -3.6648393345205923 1.4338752709958444 -0.4594806222746457
Tc 3.5878297551844804 1.3228901920327265 1.5861527276863105

Tc -2.9122212424494069 -3.1154393646321474 0.3581690623984505

Tc -0.5703908833023414 -2.9609750246926070 0.3794577212099715

Tc -0.7459582622136471 3.7121446066417354 0.0708249743290366

Tc 1.1688833877421110 3.0090795224337561 -2.5442202997697092

Tc -2.3167768404087985 -0.7690029706570536 3.0726350018720905

Pt42 Tc13 configuration: ∆E tot = 11.69 eV

Pt -1.1561579269508049 -1.8826543134259643 -1.6487448114490493

Pt -0.3055313475083583 0.4898254450535305 2.3249241288323050

Pt -1.7572568064694898 0.2956697799228525 0.0809580139509236

Pt -3.5679913125380223 -1.9257197939391348 -0.2058505593693456

Pt -3.8719018721344356 -0.1023322829124312 1.7335719996810097

Pt -4.3177557770766448 0.5675238193649726 -0.8436999940273637
Pt -3.8844643607542206 1.0960095767592091 -3.5545865245287942

Pt -1.0794940357752767 3.4736669461705794 4.1974557695812171

Pt 1.2842711549604042 2.7181604557243677 -4.2437466046115153

Pt 0.7296960288707152 -3.1221137630515794 4.8524572061219269

Pt -1.5938839093002657 -3.1251763546773628 -4.1672223108869870

Pt 3.1249360608686305 4.5100681674239178 0.5920513449280304

Pt -1.9332324537897505 4.2268342863484145 -0.4095470651427289
Pt 3.2341370453283784 -2.7212948021565913 0.1720469059323553

845
Pt -1.6889033463504415 -3.9017235343921226 0.2533513757171422

Pt -3.0237033166219609 -0.7489998106266821 4.2373070548264637

Pt 0.6099064175598247 4.6525724290288748 -0.0516604950959634

Pt 0.9798482735139522 -4.2646716598184566 0.3081606282353055

Pt -4.4172451476619852 3.2320879449046336 -0.6425824865554814
Pt -0.2037480960164934 -1.1692931867360397 -5.3156982694807393

Pt 0.6770941561886606 -0.1507758735688250 5.0454075122575572

Pt 2.2005567252461575 -3.6730741402908684 2.5549353227757643

Pt -0.5341853365887347 -4.1356094355705881 2.6084723135176615

Pt -0.2976852407707899 0.5663972853317797 -2.2188857861716431

Pt 0.0365757734150659 -1.7700954109614204 0.9526915049867020

Pt -3.0296579444867970 -3.8004144414857013 -2.0438143868323380
Pt 0.6989994666032904 1.6273090775903585 0.0623052152192514

Pt 1.4267307352217458 -1.2255762517066402 -1.3390798575307308

Pt 2.2903101208100387 -0.2473263906519326 0.9484018295096751

Pt 4.0170164375709279 -0.2105356435425699 -1.1624741580820304

Pt 3.0562930778982103 0.6349885778882719 3.7058256694886120

Pt 1.7582737577024510 0.0653190218554259 -4.0615974076799963

Pt 4.5684820546818710 0.8578995942354962 1.4122506481904098
Pt 3.3002989329311014 -1.8203910950100479 -3.1881131223370076

Pt 4.0996467324432420 -1.6819725265708712 2.4389907586329556

Pt 4.0902588291892030 2.3998276424489022 -0.6791579086055912

Pt 2.2382792158862217 -3.9886381845246581 -1.9717304991452653

Pt -0.3762210821236437 -4.5305770049310379 -2.0237680933808031

Pt -4.0506595675274157 -1.4522067712132669 -2.7550199604648768

Pt -2.8847104259031364 -2.6766438607211542 2.2591743493718859
Pt 2.5051435223611569 4.1089238455601809 -2.0981436340752619

846
Pt 1.3383419766718869 4.5770742122531569 2.6812733522522323

Tc 0.0838691999987813 3.1108935966042575 -2.0469227829188386

Tc -0.6067747981368924 3.1253900434206785 1.6625627733101165

Tc -1.3743946249385381 2.0859536996531336 -3.9450407733180914

Tc 2.2242099967084377 1.5901910294311254 -2.1125179303014106
Tc -1.9852982086530628 -0.5151100737143658 -3.7766094569743922

Tc 0.7624434993142901 -2.5713309403319853 -3.3769536529641742

Tc -2.8452164053588658 2.3108825649619362 1.2317983167591859

Tc -2.3928874475474458 2.1790795203292253 -1.8275317846152925

Tc -0.8902886900608510 -1.8124409539966133 3.5093210894703186

Tc 1.5809359854689538 -1.3629139061645545 3.0985503069940319

Tc 1.0299706461603237 2.1901861119398562 3.6765778177809185
Tc -2.3602534605535159 1.5140154159844401 3.3070268160637846

Tc 2.4829771180239169 2.3828623165038887 1.8028502921579714

Pt42 Tc13 configuration: ∆E tot = 15.09 eV

Pt 0.9700103196922660 1.4641966178530499 0.7476245534829727

Pt -3.1791382195994462 -2.7515246325126639 0.1148495255677450

Pt 0.5109977308047617 -3.3165714491875899 3.6694831347447887
Pt 0.9992955290106235 0.1335246345913232 -1.6714909810240561

Pt 1.1313073631436270 0.1697529064096551 3.1881128284930194

Pt 0.8854201411590610 4.3322362218804864 0.6191869116391829

Pt 1.4626697598616480 3.3492073480419573 -1.7865841826603406

Pt 3.1782034372211947 4.1902829256519851 2.1005094781529752

Pt 1.1752612902900794 -1.2810044852754747 0.8744067330351163

Pt -1.1305590540561818 1.5989166472583114 3.8513897574734393
Pt -3.4271947273240375 -1.4958275484469863 2.3509466278000066

847
Pt 3.4068049307346495 1.4836537088408144 -2.0823789283053884

Pt -3.3775598765380765 0.2034546900586534 4.4013761508592557

Pt 1.1546169179322427 -4.0814053784731099 1.1304479640036464

Pt 3.3334758028014639 -1.2316609497550988 -1.9484953783854682

Pt 3.4984629550282875 -1.1144994164063857 2.4190171838989327
Pt -1.1391740389617009 -0.0589377269300904 1.6098892281202293

Pt -1.3557027242792710 3.1317119158135100 1.5804973732066252

Pt -3.6015274140936362 -1.4079163885461137 -2.2831935335413927

Pt 0.9532451103687472 3.0220888914209247 3.0278799161740646

Pt 3.5166366829546587 1.5546403724163023 2.6319937626473919

Pt 3.8587540800564839 0.2033230333088081 0.2220608631850161

Pt -3.3485145869869033 -0.1441332415555688 -4.6632861873277314
Pt -0.5637929913433530 3.5607555848881023 -3.6005717475188939

Pt -2.9681348804825549 2.4894005462532696 -4.6116505846938054

Pt 3.3816861621225791 -2.7793278518365416 0.2680786629268140

Pt -3.0637985657569042 3.8855607871245348 -2.3678507893699448

Pt -1.2179592147839402 1.2921089154742540 -0.8305205946937654

Pt -0.7910278012652250 -3.1183765898874221 -2.9473745658876744

Pt -3.1358438006792158 -4.1176057359263236 -2.1982524394106582
Pt -0.9120762592816458 -1.5787798352158253 -5.2155856996066943

Pt -1.0460133435115584 -1.4330868278616551 -0.7545826827127021

Pt 1.5542668637698804 1.9778677848490962 -4.0078240243366619

Pt 1.1613697140247246 0.0096256113197805 -5.8665571910464669

Pt -0.8822447795741899 -4.2242073599203414 -0.4910871884809107

Pt 1.3771444950643998 -1.7450854072149871 -3.7212010227178669

Pt 3.3240023897051652 -0.3468786269713240 4.8948479583725222
Pt -3.7010031834025097 -0.0691559642210109 0.0458611160479850

848
Pt -1.3433192464375743 -1.4739614130513545 4.0468349397603980

Pt -3.4449333843246435 2.6016420757935550 -0.0698098852302166

Pt 0.1136005919075035 0.9393098691478241 6.0498421326358160

Pt 2.7639740544109892 -2.9727106487502342 5.3348013555729645

Tc -3.1292901226503833 1.3621154562898870 2.1768400628132940
Tc 1.2398968567932520 -2.6801685329141312 -1.2942862541939102

Tc -3.3186038728212073 1.1769426694219220 -2.3439964805040985

Tc 2.9563810682146849 -3.4449813050691676 2.8535021617254728

Tc -1.0194961428376617 -2.7221268332354072 1.6850935322294029

Tc -1.2521835169001891 -0.0380441433166221 -3.0804930214378854

Tc 3.1535409957984482 0.0263168149283605 -4.2204337628769597

Tc 3.0183335266716012 2.6145440735496792 0.2049672558759747
Tc -2.9789563083441859 -2.7175493189058200 -4.3472897560867692

Tc -0.8153022610876155 1.2380216372503683 -4.7751900540537688

Tc -0.9793984669482121 3.6862767858292802 -1.0501103536778904

Tc 2.1250630637444687 1.9132172615208187 4.9465826315253416

Tc 0.9183269509845290 -1.2651681757992663 5.1831734878115290

Pt42 Tc13 configuration: ∆E tot = 17.70 eV

Pt -2.5253641786792373 -2.7757405121575611 -3.9500674810844867

Pt -1.0899113731456938 -0.0675055585567921 -2.2192253581421388

Pt -2.7301502128896247 1.9259730342139001 -2.8826212081364679

Pt -0.4700675016923712 1.4199697478885192 -4.4323776344876187

Pt -2.4870378234224515 -0.1353780919181243 -4.8557790380863732

Pt -4.9758134177392144 0.2480809418203328 1.6273666345959321

Pt 0.8706145401801132 -0.9082667735911534 1.6199187547853553
Pt 0.9522666489394715 1.4068098766776096 -1.6585108749793738

849
Pt 2.6514475585226287 0.6308903133440800 0.2478692492363541

Pt -3.6821179082048885 -0.8163250739721273 -2.6570436512516729

Pt 5.0994079989269441 0.5909139175269313 -0.8374473278315698

Pt 2.5149514899390257 3.6616824816094060 0.8516186630301944

Pt 4.2056383926011147 -0.8281848619849841 -3.0322711953697059
Pt -2.0099234100512322 1.2059138477206359 -0.1379556694677267

Pt -4.1161409573379553 2.7269884665938600 0.9656378956847911

Pt 0.6345025028361522 4.1164248939645711 2.5897402600892856

Pt -0.2267984593999346 -1.4038183811856573 -4.2490395689939158

Pt 3.5910097039017503 1.7333739461069793 -2.6928367586159139

Pt 4.5299972744509427 3.2477650563866591 -0.7301004990429681

Pt -0.4574743808626613 3.4740803476788926 -2.6006879561635521
Pt 0.3449291592287171 1.7324701084714857 0.9020330852352877

Pt -1.6009867207880046 0.0162423385779759 2.1629232112182852

Pt 3.9341547261755760 0.2232177508190626 3.6635230946300430

Pt -4.7611071093803705 -1.6776964387351687 -0.3977739175768121

Pt -1.2473005884039490 -0.7898547260061837 4.5711157271383422

Pt -3.2344896047082319 1.6803008998712461 3.2451606089378124

Pt -1.4621008391965018 -1.3986600757814869 -0.0700867703229165
Pt 2.0281890084679741 -2.3395630182031875 -3.1866820063251717

Pt -4.4684451593705843 0.9398828916081339 -0.9217304357098447

Pt 1.9014668888318362 0.2089236441944507 -4.0294350637151775

Pt 4.5598032153816197 1.9043071715883186 1.5762418914442926

Pt 2.1220624680250668 3.7822384615828084 -1.7521208764834189

Pt 0.0724419921804120 4.2410143943862035 -0.0730927498605632

Pt -2.4054287384555986 3.6771542806438702 -0.8725642086339326
Pt 1.3164575576411335 -0.1459791051500408 4.2423749115919094

850
Pt -1.7500752608074452 3.3994969237972681 1.7832902766678771

Pt 1.6713728549878837 2.8551399195385740 -4.1825428001486840

Pt -0.4297396359970027 1.8572218497041231 3.6539140895324507

Pt -0.2793528551702962 -3.6279343899042025 -2.6549889242856657

Pt 1.1101160244112815 -1.1970325107005748 -1.0107012071023673
Pt 2.2207312555407195 2.0658218310057084 3.0248405317036027

Pt -4.0071859595329133 -0.7480986975098494 4.0451076271141977

Tc 1.5583089187956403 -3.6750605396930442 -0.8056864488732000

Tc -0.8398568796296855 -3.9651803586596874 -0.0949177769354013

Tc 1.2532729872299255 -3.6084118952359172 1.5942518158701628

Tc -2.6064711116193169 -2.9133032540184272 3.8765874218899352

Tc -3.4640351075344675 -1.7516734254605959 1.7407695360179529
Tc -2.7612004586194718 -3.0444807144120203 -1.3956566888664110

Tc 4.5208029277525954 -0.7287690743202284 1.3643898181979082

Tc 3.6723758269322047 -3.4715368732709959 0.6252455152212540

Tc -3.3065676114263440 -3.9747259657575933 0.6716298661037867

Tc 2.9433997744485674 -1.9917650595311205 2.5583750050338487

Tc -1.1308526107397994 -2.7411046827392749 2.1504860140243056

Tc 0.6297784563808162 -2.5675897628437339 3.7983288500883559
Tc 3.6164957220951348 -1.6786595160218694 -0.7687962585904621

Pt42 Tc13 configuration: ∆E tot = 23.60 eV

Pt 0.0289625551043406 -0.0000000000000054 0.0357820142334926

Pt 0.1595701239101809 1.3733513877799357 2.2687207989746390

Pt -0.1604761881400728 1.3600352176670658 -2.2743945440505602

Pt 0.1595701239101809 -1.3733513877797883 2.2687207989746390
Pt -0.1604761881400728 -1.3600352176669208 -2.2743945440505602

851
Pt 1.3326115189460621 2.2481497231216507 -0.1559567608497951

Pt -1.4123099161050281 2.2117958738603911 0.0257304854782792

Pt 1.3326115189460621 -2.2481497231214931 -0.1559567608497951

Pt -1.4123099161050281 -2.2117958738603969 0.0257304854782792

Pt 2.6110335080999842 -0.0000000000000054 2.4268647992767591
Pt 2.1312329256546287 -0.0000000000000054 -1.4330630651346685

Pt -2.1806224938913821 -0.0000000000000054 1.4091808007614517

Pt -2.3396575234210513 -0.0000000000000054 -1.3280323557601286

Pt -4.4511559061109116 -0.0000000000000054 -2.7784306721977892

Pt -0.0111019964426327 2.7571694521180170 -4.4220222019624744

Pt -0.0111019964426327 -2.7571694521180330 -4.4220222019624744

Pt -2.6597874535687298 4.4283167968316164 0.0238337388962966
Pt -2.6597874535687298 -4.4283167968317905 0.0238337388962966

Pt 4.3811874095651246 -0.0000000000000054 -2.7839764935049507

Pt -4.4860801881208525 -0.0000000000000054 2.5956605027586130

Pt 0.0878058163669177 4.6558362167678418 0.0445555598111766

Pt 0.0878058163669177 -4.6558362167678622 0.0445555598111766

Pt -4.6492109753346247 -0.0000000000000054 -0.0737438262374590

Pt 0.0983960140115608 -0.0000000000000054 -4.6226818256473434
Pt -1.2296952132080556 -3.7155470686147973 2.3245514058647219

Pt 1.4590967405232704 -3.7708103387009375 -2.2918199506343360

Pt -1.3516773714758019 -3.8022938645122442 -2.2878299612267270

Pt 3.7970349213163361 -2.2966351624167265 -1.3785759941663982

Pt -3.6791170473771042 -2.3429360494987863 -1.5188656647852661

Pt -3.7299228041379990 -2.3225579426791918 1.3787625101082746

Pt 1.4590967405232704 3.7708103387009291 -2.2918199506343360
Pt -1.3516773714758019 3.8022938645122357 -2.2878299612267270

852
Pt -1.2296952132080556 3.7155470686147867 2.3245514058647219

Pt -2.3356440238086291 1.4042240171835529 -3.7934936213726216

Pt 2.2665022206695640 1.5279423440537601 -3.6770130862968244

Pt -2.3356440238086291 -1.4042240171834002 -3.7934936213726216

Pt 2.2665022206695640 -1.5279423440537760 -3.6770130862968244
Pt -3.7299228041379990 2.3225579426790226 1.3787625101082746

Pt -3.6791170473771042 2.3429360494987730 -1.5188656647852661

Pt -2.3882486586566434 -1.4064768298468127 3.6877461985963302

Pt -2.3882486586566434 1.4064768298467967 3.6877461985963302

Pt 3.7970349213163361 2.2966351624167154 -1.3785759941663982

Tc -0.2125183247200997 2.5312883086627687 4.5576803620141195

Tc -0.2125183247200997 -2.5312883086627771 4.5576803620141195
Tc 2.7926572898674538 4.2613234781129750 0.2049692270179882

Tc 2.7926572898674538 -4.2613234781129901 0.2049692270179882

Tc 5.1370266028384570 -0.0000000000000054 1.8817613491653922

Tc 4.3484895976441793 -0.0000000000000054 -0.1126777832785870

Tc -0.0029191925974112 -0.0000000000000054 4.4860165877023315

Tc 1.5479606299542570 -3.6224587465915774 2.1070299699815300

Tc 3.5025381375299824 -2.2002456413633320 1.3095567270751143
Tc 1.5479606299542570 3.6224587465915614 2.1070299699815300

Tc 1.9113804318357495 -2.0429466086801624 4.0155047854579760

Tc 1.9113804318357495 2.0429466086801491 4.0155047854579760

Tc 3.5025381375299824 2.2002456413633236 1.3095567270751143

Pt49 Tc6 configuration: ∆E tot = 0.00 eV

Pt -2.4175537136516589 -2.5881056530815481 -4.3989013875701470
Pt 1.6412767969879323 -3.6999999238158994 -1.0962221798164085

853
Pt -0.9626314929892669 -4.3438097702775211 -0.3972096520585480

Pt -1.0499776215299810 -0.1333693397646436 -1.8731863881671513

Pt -2.5348368739898328 1.7204441900824854 -3.0313490903406830

Pt -0.4439771448493596 1.6114512636813652 -4.7416864444454774

Pt -2.4838235035875456 0.0302186907985502 -5.0916515796923010
Pt -4.3553951043995713 0.0400577693035135 1.5925385361290307

Pt 0.4566868308268442 -0.4135615208405847 1.6468657920710785

Pt 2.5824308505269156 0.5535535853530272 0.3676199266385440

Pt 0.8029140879804774 -3.2821254098241059 1.3748572759944557

Pt -3.4682369286283006 -0.8484963141630542 -2.7559044307115794

Pt -2.4400815055758076 -2.5934121013172482 4.5968774418135601

Pt -4.1321920071376690 -2.5149233952088732 2.3567590928453330
Pt 4.8728354988594935 0.4954804652032005 -0.9461026378999928

Pt 2.7186624447694330 3.8188092466002423 0.8218678968518747

Pt 4.1506403739606190 -0.6094013785125041 -3.2764483521897758

Pt -4.0702367163461259 2.6465330748277385 1.1218106715367520

Pt -2.9399878409572877 -3.4849417820006883 -2.0438789344701433

Pt 0.7201739402995633 4.2624119816320736 2.4124697615417219

Pt -0.2575620547721210 -1.0923182215731637 -4.3682133867663726
Pt 4.5292223814519668 -0.9598082683017490 1.3202891237179895

Pt 3.4888441529691621 1.8439768476269920 -2.7090301849375664

Pt 4.6601381156826625 3.1962646348124926 -0.7470684877048206

Pt -0.3674718283545712 3.2173189066453349 -2.5624250187255924

Pt 3.8791020329560606 0.2931305880658100 3.5720429988188789

Pt 3.4012267804787855 -3.3631565194357531 0.9715246987091410

Pt -3.8329888678385413 -1.7249807981540981 -0.3100948857767494
Pt -1.2924613093389123 -0.0143773238430380 4.7029858548288797

854
Pt -2.7522572070545182 1.5865953781335611 3.1717689381237961

Pt 1.8993499629396833 -1.9874046886018315 -3.1548527865270266

Pt -3.9000429999502999 0.8959052836376531 -0.8715372098394414

Pt 1.8473944593806442 0.4499585743535688 -4.1616999658484524

Pt 4.5703789220307565 1.8015425518967183 1.4929598297434374
Pt -3.5382241756423940 -4.2374672661554280 0.3999124893821728

Pt 2.4882173107894174 -1.8400074034526790 2.8857190339311880

Pt -1.6673990299288506 -3.6248259297419150 2.1495622000000609

Pt -0.0060707262065175 -2.2935206393565934 3.7375021027986364

Pt 2.1372212365755749 3.8063144601260679 -1.7068391831130305

Pt -0.0100211119886095 4.3077717336937287 -0.1982693427264648

Pt -2.2988329440291189 3.0851738990070934 -0.8072419804638433
Pt 1.3076056453112075 0.0726973176579259 4.2340341277919959

Pt -1.7169698336984627 3.5606008217855125 1.7905985087478848

Pt 1.6637911919774233 3.0859533760491504 -4.2613083920779937

Pt -0.2472286662951998 2.2008352946025762 3.7370798098876539

Pt -0.3963896939804313 -3.0795835358548698 -2.6234300340086811

Pt 3.7239375120990243 -1.9429986241017654 -1.1025751346630090

Pt 2.2898789482553314 2.2405444684573190 2.9457663015784754
Pt -4.0290696719880295 -0.5172380695966547 4.1889861183947454

Tc 1.0945861742676388 1.2814128808727967 -1.5813480591286528

Tc -1.5869590054285969 0.8455859926451355 0.5246231610148872

Tc 0.4796968550658336 2.0714539941145595 0.8855423687036548

Tc -2.0665111703957693 -0.9429337376460500 2.4530200208309960

Tc -1.2264126265698190 -1.8022448567268607 0.2033273213109557

Tc 1.0855908706607207 -1.0869848003170703 -0.8404362740678770

855
 Pt49 Tc6 configuration: ∆E tot = 0.90 eV

Pt 2.2870711334143086 -2.6078750219578435 -2.4877322698485993

Pt 3.8325733854072843 1.2310289387767861 2.1881705374336144

Pt -4.4863385106860161 1.1058863138093080 3.3940666027484117

Pt -1.4100041288448564 -2.1500832424467333 4.7889943761215745
Pt 2.6981232531217461 -0.1506712236582567 -3.6377640317026634

Pt 4.3294847783784158 -1.2135662938417651 1.2098030404290729

Pt 0.4306317352681263 -0.3018875228769390 4.8400407111768189

Pt -0.1878160177421292 2.2531458917964176 4.0898008565632038

Pt -2.0911943654881222 -1.6767080867130886 -3.3942089284260044

Pt 2.3032798522376843 3.5017276235245349 -2.2692672476182412

Pt -1.0045224150558680 3.3676920588993986 1.7424602119966193
Pt -0.4773614765925130 2.8892744768627630 -5.0210852237088242

Pt -1.1487523922367313 -4.1304530639218520 0.1434175528470095

Pt -3.7527495022532578 -1.0117513358907724 -1.3720627997130210

Pt 2.6429275441872035 -0.8846187295685672 3.3169779945729418

Pt -3.8184520300245848 1.6569966329640260 -1.2106964844793671

Pt -1.3720424533332851 -0.5217064133301279 0.1941400381914343

Pt -0.3124294593264366 -3.2470131816795189 -2.2196823049836931
Pt 4.2549955495214533 1.6676994087423112 -2.2961661195879284

Pt -3.2749904379535866 -2.5174694303847400 0.7364928976174733

Pt 2.3052963041948993 1.5108680263308853 4.3000506447766940

Pt 1.5487472745264683 2.7351858467531684 2.1239889680804906

Pt -1.9070659282709648 3.4457220166663576 -0.7226755369335861

Pt -3.1918950654578251 -1.3337811617615174 3.0382366154302938

Pt 0.6019594098763129 -0.6402065535766608 -1.8545973900584849
Pt 1.4554455978818437 -4.1827719557453387 -0.4392178750499345

856
Pt -2.4980728191340820 2.8494197561332655 -3.2631602269032376

Pt -3.7751930646713281 0.4434004870246816 -3.6214980038058213

Pt -1.3706820329507106 0.3743023334156745 -4.8156706605719455

Pt -2.1635181868558759 0.4657711394800984 4.8645061338704689

Pt -2.8773886221623015 -3.4796802351266263 -1.6832124337745653
Pt -3.5746806948060641 2.7032630767808232 1.2113444012293622

Pt -2.4255858988195680 -4.3468891228298636 2.5121671184417060

Pt 0.2969777802217434 0.0716675118946778 2.2316360772894646

Pt 3.9066167329116999 -3.2412714933726074 -0.4356574772417268

Pt 5.2429817325082286 1.0076581164857650 0.0027988333620689

Pt 0.9817297656965925 -2.8213626927134454 3.9344792367316672

Pt 2.6542435356305516 -3.1375701736955617 1.9183428382154197
Pt 0.1446272694660710 1.5435897692270062 -0.4223884744059734

Pt -0.2213066836479615 4.0760909465374651 -2.6024665588241680

Pt 0.8598983636424845 3.9849470491950876 -0.1068301558211034

Pt -2.6592896863092124 3.0154322354199645 3.8152684417631821

Pt 0.4364348102539544 -4.6394485505374607 2.1050855508142616

Pt 4.0307005659522064 -0.8349329426571805 -1.4957886550166315

Pt 1.0970405947644546 0.7198344014292692 -5.5224884992860614
Pt -4.1672755028759267 0.0593009014150779 0.9818336861154847

Pt 2.9994802143042065 2.3269239474194992 -4.4962131716060734

Pt 0.4685684639602705 -1.6320466868695884 -4.2752975167857876

Pt 3.1481227369203713 2.6046081052742647 0.0237532533381203

Tc -0.9070073466533927 -2.4159764250807734 2.2796998836855740

Tc 0.7196939120494498 1.7513001794203982 -3.1612631421692479

Tc 0.9205082766275877 -1.8629988620795939 0.4740001818216767
Tc 2.2224785692216646 -0.0429417778869217 0.2397207178149155

857
Tc -2.1161015191396753 0.9763143035599660 2.3905611051865989

Tc -1.6289229008550055 0.6866306849644044 -2.2647473193429324

Pt49 Tc6 configuration: ∆E tot = 2.82 eV

Pt -1.9071783947833481 -2.5637931042533646 -4.1042967010508251
Pt 1.4564614321765188 -3.8090521533710278 -1.0968068058837959

Pt -0.9524623334173246 -4.6950479779529113 -0.1463875611659998

Pt -0.9230083748536622 0.6348549078948406 -1.1774940934193081

Pt -2.5108271278162753 1.7535671169516036 -2.9655478839998546

Pt -0.3461768993072651 1.5948159936083628 -4.5648136507545409

Pt -2.2775956680615423 -0.1074995855229356 -4.9043344033827889

Pt -4.5832738530110975 0.1820451723230475 1.7541995867623978
Pt 0.3661659140726384 -0.1369330342310938 1.0371586973831859

Pt 2.0974336062770975 -0.4008282914127481 -0.9763353354927135

Pt 0.7952489165471037 -3.2784998434422445 1.3441314511840616

Pt -2.9754725098109804 -0.8796958731162222 -2.4529404998444111

Pt -2.4824762109433274 -2.5447100721077538 4.5037313862780666

Pt -4.2611210726643023 -2.4504437923321714 2.4683221870013070

Pt 4.5603715977482295 0.7275176832574365 -0.5652077004898431
Pt 2.3868944260842686 3.5562586777556797 0.8949039049627968

Pt 3.6299892231058655 -0.9470630949695688 -2.9654097617770256

Pt -4.2136148748963427 2.7890367976717130 1.1081648732653027

Pt -2.7779478478365545 -3.5140017006829711 -1.7933904241637630

Pt 0.5171514533748925 4.4017149871495596 2.4871394921177616

Pt 0.1888722560991180 -1.0837953506286329 -4.4446174078689351

Pt 4.7435320634911253 -0.8060025088788570 1.6166585703723302
Pt 3.7196114243733773 1.8640315505039031 -2.7904165453061349

858
Pt 4.4466338221957393 3.2578629720668042 -0.5478478026282393

Pt -0.4702303370439929 3.4670389250370368 -2.5109724117423458

Pt 3.6977720944931156 0.4653920873755074 3.7366517962841543

Pt 3.1590691185700841 -2.5708281594234061 0.3472543252164585

Pt -3.7947060872806637 -1.6722977223022117 -0.0470272441950993
Pt -1.5384368120887082 0.0145105930336936 4.4491556114350566

Pt -3.1789067024133897 1.9267808762333356 3.4287639382550008

Pt 1.9316094589004644 -2.7902627982060819 -3.5231279138064093

Pt -3.7193515922623743 0.8642827327983399 -0.6673534981669694

Pt 2.2142588486362222 0.5425811907695307 -4.5717695542655017

Pt 4.5309283062944106 2.4583459793848919 2.0366237031631367

Pt -3.6487263176070477 -4.2500943919308156 0.5885729187876944
Pt 2.2801505807876352 -1.4926909821937873 2.5991875100939748

Pt -1.7265089349374148 -3.7199760413736462 2.2187592509942275

Pt -0.1191989592654570 -2.0704082220970732 3.4880703298835392

Pt 2.0457152802933440 3.7424758637016575 -1.6638659107390412

Pt -0.0070759055582477 4.1534984553041738 -0.0277473173541555

Pt -2.3509320089976415 3.1897667169758614 -0.7410680335044239

Pt 1.0738395219775401 0.1994975448809941 4.2378452749204962
Pt -1.9477313158198770 3.8475763238006206 1.8461766136428170

Pt 1.7228457947495726 3.2329775086080859 -4.2403114663955588

Pt -0.5111778732904537 2.1865341162878789 3.4608132758512227

Pt -0.3634798202738494 -4.2426684742641543 -2.8578918447566100

Pt 5.1387866122196506 -1.7409093916087526 -0.9964557141216398

Pt 2.1057823663476207 2.4984620438202816 3.3260152980970279

Pt -4.1241787911720555 -0.4831158661497711 4.2526173548543094
Tc 1.1523170698458480 1.4794887698600914 -2.4892953903566899

859
Tc -1.8043516851204053 1.2385739798909416 1.2832771967465841

Tc 2.7980454918498165 0.7910559800597793 1.3214537592261106

Tc -2.1447143345359785 -0.8453548492039168 2.0658487244361350

Tc -1.1879361046214547 -2.2051470729602385 -0.1374680288359224

Tc 0.0893120691797312 -1.7594251923892961 -1.9312961257466206

Pt49 Tc6 configuration: ∆E tot = 3.48 eV

Pt 0.7431670896089103 4.2222791635865606 2.5669344754854877

Pt -0.0857882531051601 -1.5823249209273875 -4.8382342804924772

Pt -2.3845407371005805 -2.6397631685232081 4.4649761163003738

Pt 0.8327373805267048 -0.5901337308519425 1.8839652115737424

Pt 0.1511854598104439 1.8864321615105808 1.0195894539821542
Pt -1.5901767255946229 -1.6673019006056613 -0.3858794054357042

Pt 0.9929738793987813 -1.0380493394789065 -0.6529246321517768

Pt -2.5053802377476306 -2.6800207318193947 -4.3274046100987027

Pt 1.6250231800434152 -3.6986941477053636 -1.0315095792277560

Pt -0.8675441768107185 -4.2591132928657016 -0.2986824439604845

Pt -0.6612987112583527 -0.3490264817872324 -2.6773620680130752

Pt -2.5777220267737939 1.7362406434660540 -2.8905208433462342
Pt -0.5086020033458888 1.5610689386749035 -4.6298600519342736

Pt -2.4253067719476107 -0.1104792585764258 -4.9345574010501556

Pt -4.3607824800645538 0.1429269030114086 1.7006946093184390

Pt 0.9984002047071799 -3.5860502970395771 1.5686545764887816

Pt -3.5113524248754597 -0.8469219202998703 -2.6655872098813282

Pt -4.0246644951547816 -2.3582299391123800 2.3844865299847480

Pt 2.6372774265562371 3.6184921314759468 0.8419507461652893
Pt 4.1673910046474552 -0.6884513242480732 -3.1258808847093711

860
Pt -4.0792421333703510 2.7124957639755345 1.2560327949078609

Pt -2.9911276991214688 -3.4401931917934951 -1.9308408268363031

Pt 3.5508148118733640 1.8491676661007208 -2.7850991307144346

Pt 4.6091957811279203 3.1334545580835163 -0.7595670684139655

Pt -0.4487007844618369 3.3615281028947077 -2.5219744302918174
Pt -1.7449448155925205 -0.0928929416762874 1.6945185858670817

Pt 3.9679409202796569 0.1897407515731241 3.6008776369581939

Pt 3.5476152908878085 -3.3376527666698346 0.8563663193642033

Pt -4.2624405216167087 -1.6746808685324859 -0.2464347601771779

Pt -1.3254964723851161 -0.2044302314783386 4.4336262096911643

Pt -2.8333712445269152 1.7134278789516020 3.3699405944481930

Pt 1.9490610655721214 -2.1542638715860600 -3.1872568923707636
Pt -4.0280995383067717 0.9210156099573541 -0.7807861370310900

Pt 1.7700497652792453 0.3483770508555926 -4.0025867781295972

Pt 4.7372635196013686 1.7840615606605772 1.5631472546665564

Pt -3.4567829880909642 -4.1050484900782287 0.5305818828238281

Pt 2.6727466800607140 -2.0455908970072398 3.0122109267191601

Pt -1.5290930670426293 -3.2606685798092432 2.0626336230004751

Pt 0.1684852945905568 -2.4488315095629858 3.8781178027852934
Pt 2.0913772008817975 3.7884234944826676 -1.7047054450352312

Pt 0.0373117755661701 4.2683826811939403 -0.0299382535990316

Pt -2.3647071295275972 3.2293171832072058 -0.6789284526672050

Pt 1.3426099960771829 -0.0365721132586643 4.3553449138413898

Pt -1.7510537355439315 3.6411301192834880 1.9481142121605080

Pt 1.6105288292204742 3.0148144264410330 -4.2216043101011644

Pt -0.2237047406282166 2.0628825005373743 3.7639306165934419
Pt -0.3906238790087510 -3.2471587015811103 -2.6937530134740091

861
Pt 2.3585014750909914 2.1452334778638500 3.0515944387205196

Pt -3.9517710945088886 -0.5202159115653486 4.2462275980978879

Tc 2.4995747265402737 0.9361670596471574 0.6088545974566613

Tc -1.4204885876186901 0.8546682252638464 -0.6321180860370332

Tc 3.3887467241765057 -1.6063761728245034 -0.9185911079639972
Tc 0.9788045966839166 1.4220881314517555 -1.5274456843898048

Tc 4.2751615010750124 -0.8019597585261884 1.2098332144444151

Tc 4.6008618952463030 0.5272802756406345 -0.7931711543118802

Pt49 Tc6 configuration: ∆E tot = 5.02 eV

Pt 0.9715303882538927 1.3473640516612237 0.8780916186937189

Pt -3.2698304690632134 -2.7128038552438642 0.0598328993105633
Pt 0.7984551158210661 -2.6947106504340614 3.3740740499063957

Pt -3.4413951298778191 1.3989398775249073 2.2208290214631159

Pt 1.1051856502935036 -0.0421301111421134 -1.4624408661851749

Pt 0.9240930094092353 0.0927303548657013 3.2522132738370186

Pt 0.9315013293971413 4.0374234504638586 0.9002865331395234

Pt 1.2163138047217952 2.8338679022439788 -1.4958869238718540

Pt 3.0726529732411261 3.9771283364105945 2.5182687512131521
Pt 0.9894294602912178 -1.3051829717072148 0.9142969668719645

Pt 1.2234994222220317 -2.8891647657945270 -1.4615385318161189

Pt -1.4281955211942419 1.5684411928937749 3.9662561218006318

Pt -3.4092910695713630 -1.4019376492266529 2.2988970820732835

Pt 3.4839237372232463 1.3452721203347795 -2.0248192463497312

Pt -3.4744837182556494 0.0453938103942258 4.4817975634405851

Pt 1.0354936254671858 -4.0093170871873562 1.0096462662596586
Pt 3.5865461650105606 -1.2323511342984512 2.5405516188761599

862
Pt -1.1856124743780614 0.0333993756778805 1.5664018054495856

Pt -3.4687594607480747 1.2368650313136733 -2.4065303182221016

Pt 3.1349231106739031 -3.8663556901759089 2.5887115779504413

Pt -1.4758280059274234 3.2108308613747214 1.8173204904118314

Pt -3.4127514635411917 -1.3865049505805038 -2.3505479297807290
Pt 0.7142165995855340 2.9030222158259926 3.3352628442910444

Pt -1.3257291105318381 -3.1036887217788580 1.8798187816361598

Pt 3.6324325037750711 1.3670787334762127 2.5511347976296186

Pt 4.0439208544004392 -0.0252292895939911 0.2302322354460798

Pt 3.4842342433323954 -0.1266551615986532 -4.2286182487440866

Pt -3.1149497944198505 -0.0479879072598114 -4.7458997822798565

Pt 3.2742850141225466 2.5894163948398354 0.2447749537007355
Pt -0.8256901819473913 2.7697746468803519 -3.1850784840495190

Pt 3.2952443122787209 -2.5605397290146716 0.2573786747514586

Pt -3.1597201967388173 3.8815065115445098 -2.4301648925585861

Pt -3.0062581760041933 -2.7090055319858877 -4.6198659089713789

Pt -0.8801300357962728 -2.8270160151723154 -3.0344111184397522

Pt -0.8540907764844466 1.3057120807452283 -5.4168605610639560

Pt -1.0860317783378979 3.9786437434012534 -0.7233678865080506
Pt -3.1126915538304445 -4.0274935153057259 -2.2495890107404524

Pt -0.8598424853313645 -1.4162172833467801 -5.4393850456044390

Pt 1.3538120556862367 1.4560716070083453 -3.7907276965462855

Pt 1.3586994406305646 -0.0924910363781685 -5.9461422685793446

Pt -1.0263902202986745 -4.0809008747388846 -0.5743741524295982

Pt 1.2740406849007682 -1.5417356440770207 -3.7198781236722476

Pt 3.0560706799669286 0.1139728049287701 4.8357431606415604
Pt -3.5035297622226094 -0.0707307712351025 -0.0701249378172903

863
Pt -1.3967103919884694 -1.4548445253823352 4.0199236699595859

Pt -3.3340928235259066 2.6314893077817780 -0.0498417241244924

Pt 0.7045881083909195 1.4608879730616335 5.6265399361390589

Pt 2.9448152058255355 -2.4912571224996354 4.8454347542118033

Pt 0.6824620362202725 -1.1767375128014117 5.6339510163595454
Tc 3.2947973895512304 -1.2588397785164152 -1.9147459678745318

Tc -1.0655722222256483 -0.0444261349082139 -2.9601833383655896

Tc -2.9375485650235205 2.4638018936396588 -4.5998085057313149

Tc -1.1779921520208279 1.2940023694199316 -0.8373959647865254

Tc -1.1534446534574687 -1.3161804020869752 -0.7660248496238293

Tc 2.7993952720496100 2.5693991757586918 4.6565818192725512

Pt49 Tc6 configuration: ∆E tot = 7.79 eV

Pt -2.3392042376319684 -2.5039909620491572 -4.2787679066257942

Pt 1.7342436089792077 -3.7515029744156054 -0.9059784483761313

Pt -0.8340118991323600 -4.0951866974683515 -0.1908834832785576

Pt -1.1949335674891626 -0.1572986141679316 -2.2296824928064121

Pt -2.7414609233887881 1.8338241451915063 -2.9785608899260536

Pt -0.3613946003615581 1.4593361679056389 -4.4060854328644021
Pt -4.9012239260693535 0.1497930383090359 1.5702945171122804

Pt 0.7561604802041932 -0.8448553399524346 1.3453312484830229

Pt 0.8789197841727263 1.3605529745224945 -1.7369773178849235

Pt 2.5905970461139853 0.3611251514795008 -0.0323345701764437

Pt 1.0483350564430896 -3.5289821897457627 1.6749037517173901

Pt -3.7635971890961719 -0.7144586096760852 -2.7930650049007042

Pt -2.4432876276152578 -2.4866934941362118 4.4588940669320127
Pt 5.0334168651209366 0.5651337651782267 -0.8947330205811124

864
Pt 2.4368724286952093 3.6146473353752806 0.8644858667698682

Pt 4.3522649212615683 -0.6149736181730165 -3.2449290739160288

Pt -2.0143986360902355 1.0837206048877388 -0.0525761937560719

Pt -2.7974118706422204 -3.1569804896748903 -1.8157672437692727

Pt 0.5916518286281106 4.2989793062803763 2.5768493887527670
Pt -0.0453403909600843 -1.2249114771129792 -4.5158928423799471

Pt 4.3480998064501453 -1.0179355996050041 1.3755572689278335

Pt 3.8555199314570197 1.9667927394164315 -2.8411683996424442

Pt -0.5082940412829502 3.4717127426219299 -2.5946577894403369

Pt 0.3970949222533016 1.7388683290358635 0.8199719174870759

Pt -1.5090435080768403 0.0692335987841185 2.2594721590351030

Pt 3.7825358473783148 0.1954276612802718 3.6842150218989911
Pt -4.3514338466424478 -1.6163445396253784 -0.2989866316773436

Pt -1.0451206434556233 -0.2431025872285576 4.7667454653648171

Pt -3.0687795172563765 1.6661779883765735 3.4715314522752925

Pt -1.5185122601583996 -1.5397498095118827 0.0670842806018173

Pt 2.2459342246383800 -2.2544899568853247 -3.3948313369485543

Pt -4.4555622772330414 1.0309661602485842 -0.8961472232662566

Pt 2.0339030724337093 0.3254709723516678 -4.0085705487810213
Pt 4.2531462996517329 1.7143344928495579 1.5053753056287051

Pt -3.3856203194629133 -3.9037986993311042 0.6350933547325981

Pt 2.8091132264164171 -2.2547283461440948 3.2268190845591795

Pt -1.4522148332941436 -3.7520339696623206 2.4131525419511424

Pt 0.2763332461431348 -2.5055073448174068 4.0556221325799111

Pt 2.0854802108474222 3.7101713676754273 -1.7301600377699233

Pt -0.0391009032519236 4.2017457593067702 -0.0708246416788370
Pt -2.5595574970070172 3.4869232280034241 -0.8360402419665294

865
Pt -1.7623321392663360 3.3633725922951259 1.8254061462578426

Pt 1.7659015222774672 2.9594747119327849 -4.2214566818211168

Pt -0.3236458076699052 2.0746688385958407 3.7175291400463735

Pt -0.2096810763871702 -3.2301842261206231 -2.6838829891093163

Pt 3.8057503734655431 -1.9790366171278591 -1.0898485964017690
Pt 0.9928207464120817 -1.2924884891187807 -1.2944465585069145

Pt 2.2678727896604678 2.2913584144971217 3.2312232857194623

Pt -4.2782639189672587 -0.5786719101958391 4.0531731664510691

Tc -2.3364109893341718 -0.0230263733428820 -4.7905315901849352

Tc -3.1708081240664465 -1.7843920174316041 2.1215442436329641

Tc -3.9808554638451437 2.4712919665552335 1.1806427177573220

Tc 4.3402596267934443 3.0567879060238874 -0.6560876679442820
Tc 3.4511930973763651 -3.3480769927048777 0.9695728992406489

Tc 1.2580810718612998 -0.1184900135544443 3.6133844324659394

Pt49 Tc6 configuration: ∆E tot = 8.55 eV

Pt 0.9522193658568857 1.4247843339837940 0.8526298451636282

Pt -3.3726127092140898 -2.6849633728608251 0.0952815602144846

Pt 0.8798832686690599 -2.8528096306021720 3.4169107764329438
Pt -3.5061245483220271 1.4434163556124318 2.3136852746330852

Pt 1.1337951224912106 0.0134292534199264 -1.5127224466806912

Pt 0.9017733528727966 0.1070809916906813 3.2285822977655227

Pt 0.9605865479177039 4.0889332089837778 0.8318657979145214

Pt 1.3759120429024203 2.9442523012192527 -1.5592104190087870

Pt 3.1107862484249198 3.9244823231007291 2.3893486067618368

Pt 0.9408490741656541 -1.3430108160257554 0.9010372768272523
Pt 1.4433879910580236 -2.9837673661772754 -1.4817089339283158

866
Pt -1.3937911955018150 1.5680037310115358 3.9302154165018268

Pt -3.3985428980686723 -1.4154709622700767 2.3389102036991622

Pt -3.3987541029435633 0.0127543578124023 4.5351127943132523

Pt 1.1195296326458379 -4.0976338871873557 0.9949922363590872

Pt -1.2875099682603057 0.0436098300568810 1.5474182272121815
Pt -3.6267310800322865 1.2492141773215555 -2.2583806694028072

Pt 3.3109051006669477 -3.8700761034679254 2.5993471625461413

Pt -1.3664433393779702 3.0403003756372575 1.6693935599254159

Pt -3.6086284492945619 -1.3556827801449012 -2.2496406074571405

Pt 0.7564859131948716 2.9267127222997780 3.2449395608780156

Pt -1.2311280268308205 -2.9643258632513301 1.8044191375858305

Pt -0.9133310349339948 -0.0449103593293490 -3.1690553808865913
Pt 3.5933398799100842 1.2109151814703281 2.4916679732178308

Pt -3.1757443254905584 -0.0685915731483307 -4.5666331466998598

Pt 3.4662222387063850 2.5253413705511498 0.1417107778354690

Pt -0.7356039426607180 2.8708392475358981 -3.1896815998009216

Pt -2.9529732406625997 2.5037879296378454 -4.5470683539418415

Pt -3.2186255394275425 3.8975882464947595 -2.2953503877652230

Pt -2.9101101546557206 -2.6397113663903498 -4.5065154532657834
Pt -1.2069438324493826 1.3249053991856155 -0.8733068167097174

Pt -0.6871613782017970 -2.9418884520396329 -3.0879810375753416

Pt -0.8033812241046209 1.2976727524007656 -5.4286101743601822

Pt -1.0887947494420425 3.9859306437262974 -0.7956702607553291

Pt -3.0363324725212708 -3.9686746652372422 -2.1890557792638057

Pt -0.7338035697505815 -1.4724302904632645 -5.3729963015196160

Pt -1.1784780669235806 -1.3196909372678161 -0.8219487233100623
Pt 1.5124705706172334 1.6232299200974931 -3.8645711030546730

867
Pt 1.4447111498783685 -0.0682613268566324 -5.9126365205866627

Pt -0.9568958811003437 -3.9916264243119062 -0.6152825597152808

Pt 1.5776925699460349 -1.6760072127275425 -3.7723291923052575

Pt 3.0552180740836419 0.1237799078590071 4.9045101622633931

Pt -3.7973668534394034 -0.0200631283516731 0.0497830185918832
Pt -1.3169722649189830 -1.4924216000172301 4.0246585446658978

Pt 2.9190689960927676 2.6953815201969040 4.7109843701178731

Pt -3.4821470479404897 2.6308825880741478 0.0223139556411421

Pt 0.6459332887328486 1.4333788171968815 5.5513494369274747

Pt 3.0423109387435670 -2.4728944001593751 4.9121441233476917

Pt 0.7440298067163015 -1.1916500257560363 5.6171641726646824

Tc 3.3332582668243407 1.1750028219940434 -2.1104101646761939
Tc 3.3897182688029006 -1.2537879193436365 -1.9543530756715781

Tc 2.9698417322413015 -1.3119781329833269 2.5294270484789343

Tc 3.1197115063884784 -0.0481237234068276 0.2983780383473671

Tc 3.4753226140249516 0.0132642826171403 -4.2044663542759340

Tc 3.2099683338942069 -2.5484222714104914 0.3914041057837823

Pt49 Tc6 configuration: ∆E tot = 12.00 eV

Pt 1.0376345773709548 1.3592748765355134 0.9948017720918908

Pt -3.3278828750584899 -2.6810994023443167 -0.0431888226863736

Pt 0.7444079775935224 -2.9650180615806807 3.4243427133999651

Pt -3.4702621549064556 1.3926607405160247 2.2259428004419695

Pt 0.9608791926542172 0.0049011781557755 3.3039448373227600

Pt 0.9581766514062577 4.0691347490686951 0.9293157574176539

Pt 1.3623987945028762 3.1927589624548447 -1.6301590157057810
Pt 1.0693468350262767 -1.3270787563468165 1.0399509185426064

868
Pt 1.3389165174248179 -3.0514733797223861 -1.4705939469954483

Pt -1.4782065832665956 1.5429464345307293 4.0023100945049572

Pt -3.4287749838384007 -1.3697897090241644 2.2725043519011252

Pt 3.3494291960053966 1.3992220249317608 -2.0174829769597817

Pt 1.0109190831955805 -4.0580520009830074 1.0404653887656425
Pt 3.3956818807112548 -1.3955408213450338 -1.9934304118590189

Pt 3.8406527776771879 -1.3298909956234677 2.5996067050967717

Pt -1.1785037768357240 0.0102321934260807 1.6392789438510980

Pt -3.5194415885633639 1.2654381377148105 -2.3791187882248006

Pt -1.4128575288559651 3.0631785851921145 1.7173531719393460

Pt -3.7001869039885427 -1.4092904563430586 -2.3434995682754662

Pt 0.6792588314195812 3.0508304246186073 3.3500044611916930
Pt -1.3553450031144574 -3.0065475635960826 1.7975135446816104

Pt -0.9943074223190302 -0.0586710096742280 -3.0525099754501679

Pt 3.5808860298409035 1.3560480933197241 2.5651136460428496

Pt 3.4336037029548914 -0.0062812757780306 -4.3397480325593722

Pt -3.1519855003097517 -0.0902130219454000 -4.6803846956670219

Pt 3.2199971436992256 2.6751411726686283 0.2493740524598961

Pt -0.7392982744416543 3.1602719482302306 -3.2661763481262063
Pt -3.0361961718957202 2.5737305933380008 -4.6566625409271802

Pt 3.2754881979243735 -2.6302670910618828 0.3306600359267161

Pt -3.0480132097386741 -2.7317593911571150 -4.6013910052869216

Pt -1.0931192946318382 1.3143347046352150 -0.7788498619391840

Pt -0.7416355391988929 -3.1464148496957356 -3.1337516865240977

Pt -0.8116557434665419 1.3229108625617467 -5.3084215458639514

Pt -1.0612237615264564 3.9848116737992685 -0.7860925162661271
Pt -0.8127757862463463 -1.4636971966700207 -5.3275138400539168

869
Pt -1.0987779483179017 -1.3384032362751086 -0.7538015190440363

Pt 1.3928055955902647 1.6699048521267776 -3.8402765280229785

Pt -1.0429152376758826 -4.0374435513466675 -0.6654605347872974

Pt 1.3620007313504532 -1.6560420247048313 -3.7822379154169155

Pt 3.0534742824295069 0.0229306324303415 4.8565314917705900
Pt -3.7807518197868970 -0.0302708182038816 -0.0559242691917285

Pt -1.4070248746936074 -1.4188545632491862 4.0763401077605295

Pt 2.9131153457408434 2.6802071646764558 4.7387550383729717

Pt -3.3512819608077100 2.6330087041940575 -0.1182723282376496

Pt 0.6486653152383390 1.3617955738759180 5.5062727819807105

Pt 3.0499990921038189 -2.6158191226240253 4.7998846944474414

Pt 0.7525167756017548 -1.3417971675203917 5.5974896755704888
Pt 1.1480603689447388 -0.0007631206043372 -1.3940287865810701

Pt 3.6788946565865714 0.0158021936747624 0.2758152186590251

Tc -3.0049567216104425 -3.8404689867578528 -2.3156832180750246

Tc 1.2514849591013466 -0.0384693620221173 -5.6857960725835577

Tc 2.9851218818635523 3.8459889788297925 2.5022368062872182

Tc -3.4356564387484978 0.0296937816914198 4.3996826691225248

Tc 3.0295144685686886 -3.7434170321925184 2.5890950014105121
Tc -3.0402937586833589 3.7856747311950447 -2.4041299296494905

Pt49 Tc6 configuration: ∆E tot = 12.85 eV

Pt 0.0000000000000006 0.0000000000000006 0.0000000000000007

Pt 0.0000000000000006 1.4007502129769349 2.2305839020632110

Pt 0.0000000000000006 1.4007502129769349 -2.2305839020632141

Pt 0.0000000000000006 -1.4007502129767753 2.2305839020632110
Pt 0.0000000000000006 -1.4007502129767753 -2.2305839020632141

870
Pt 1.4007502129769349 2.2305839020632106 0.0000000000000007

Pt -1.4007502129767753 2.2305839020632106 0.0000000000000007

Pt 1.4007502129769349 -2.2305839020632146 0.0000000000000007

Pt -1.4007502129767753 -2.2305839020632146 0.0000000000000007

Pt 2.2305839020632106 0.0000000000000006 1.4007502129769349
Pt 2.2305839020632106 0.0000000000000006 -1.4007502129767753

Pt -2.2305839020632146 0.0000000000000006 1.4007502129769349

Pt -2.2305839020632146 0.0000000000000006 -1.4007502129767753

Pt -4.4532735846950242 0.0000000000000006 -2.6659942713769529

Pt 0.0000000000000006 2.6659942713769493 4.4532735846948626

Pt 0.0000000000000006 2.6659942713769493 -4.4532735846950242

Pt 0.0000000000000006 -2.6659942713769533 4.4532735846948626
Pt 0.0000000000000006 -2.6659942713769533 -4.4532735846950242

Pt 2.6659942713769493 4.4532735846948626 0.0000000000000007

Pt -2.6659942713769533 4.4532735846948626 0.0000000000000007

Pt 2.6659942713769493 -4.4532735846950242 0.0000000000000007

Pt -2.6659942713769533 -4.4532735846950242 0.0000000000000007

Pt 4.4532735846948626 0.0000000000000006 2.6659942713769498

Pt 4.4532735846948626 0.0000000000000006 -2.6659942713769529
Pt -4.4532735846950242 0.0000000000000006 2.6659942713769498

Pt 1.4064343406629354 -3.7742656969976442 2.3104398653612046

Pt -1.4064343406629340 -3.7742656969976442 2.3104398653612046

Pt 1.4064343406629354 -3.7742656969976442 -2.3104398653612028

Pt -1.4064343406629340 -3.7742656969976442 -2.3104398653612028

Pt 3.7742656969976451 -2.3104398653612033 -1.4064343406629340

Pt 3.7742656969976451 -2.3104398653612033 1.4064343406629354
Pt -3.7742656969976442 -2.3104398653612033 -1.4064343406629340

871
Pt -3.7742656969976442 -2.3104398653612033 1.4064343406629354

Pt 1.4064343406629354 3.7742656969976451 -2.3104398653612028

Pt 1.4064343406629354 3.7742656969976451 2.3104398653612046

Pt -1.4064343406629340 3.7742656969976451 -2.3104398653612028

Pt -1.4064343406629340 3.7742656969976451 2.3104398653612046
Pt -2.3104398653612033 1.4064343406629354 -3.7742656969976438

Pt 2.3104398653612042 1.4064343406629354 -3.7742656969976438

Pt -2.3104398653612033 -1.4064343406629340 -3.7742656969976438

Pt 2.3104398653612042 -1.4064343406629340 -3.7742656969976438

Pt -3.7742656969976442 2.3104398653612042 1.4064343406629354

Pt -3.7742656969976442 2.3104398653612042 -1.4064343406629340

Pt -2.3104398653612033 -1.4064343406629340 3.7742656969976456
Pt 2.3104398653612042 -1.4064343406629340 3.7742656969976456

Pt 2.3104398653612042 1.4064343406629354 3.7742656969976456

Pt -2.3104398653612033 1.4064343406629354 3.7742656969976456

Pt 3.7742656969976451 2.3104398653612042 -1.4064343406629340

Pt 3.7742656969976451 2.3104398653612042 1.4064343406629354

Tc 0.0000000000000006 4.4166854809819887 0.0000000000000007

Tc 0.0000000000000006 -4.4166854809819922 0.0000000000000007
Tc -4.4166854809819922 0.0000000000000006 0.0000000000000007

Tc 4.4166854809819887 0.0000000000000006 0.0000000000000007

Tc 0.0000000000000006 0.0000000000000006 -4.4166854809819922

Tc 0.0000000000000006 0.0000000000000006 4.4166854809819887

Pt49 Tc6 configuration: ∆E tot = 13.34 eV

Pt -1.3347744257113596 2.1969952672801520 0.0000000000000010
Pt 1.5345001124950934 -2.2019186741790961 0.0000000000000010

872
Pt 2.2605417359905959 0.1134772658880318 1.3993301948920667

Pt 2.2605417359905959 0.1134772658880318 -1.3993301948920722

Pt -2.1961439873450250 -0.1621213358089341 1.3413080010383520

Pt -2.1961439873450250 -0.1621213358089341 -1.3413080010383549

Pt 0.0442074236665340 -0.0745816495778905 0.0000000000000010
Pt -0.0288836513074608 1.3629004122023924 2.2266687304351303

Pt -0.0288836513074608 1.3629004122023924 -2.2266687304351338

Pt 0.0764004168828483 -1.4645648445839348 2.1792613598260502

Pt 0.0764004168828483 -1.4645648445839348 -2.1792613598260484

Pt 1.4116655343163906 2.2653481401951434 0.0000000000000010

Pt -1.2310026073072671 -2.4353545753334713 0.0000000000000010

Pt -4.3673670995977751 0.0043845741333212 -2.6775752504698831
Pt -0.0078554505962422 2.8128759356152306 4.3933104696320511

Pt -0.0078554505962422 2.8128759356152306 -4.3933104696320493

Pt -0.0147081111370766 -2.7236401127368599 4.3543933295396160

Pt -0.0147081111370766 -2.7236401127368599 -4.3543933295396142

Pt -2.6296501093150932 4.4538290101431164 0.0000000000000010

Pt 2.7018459107318282 -4.4166870272674679 0.0000000000000010

Pt -2.7902586180080662 -4.4376714544616025 0.0000000000000010
Pt 4.4219870508007277 0.1711893689869558 2.7304541298408389

Pt 4.4219870508007277 0.1711893689869558 -2.7304541298408394

Pt -4.3673670995977751 0.0043845741333212 2.6775752504698795

Pt -0.0311323407611192 -4.7071666231408571 0.0000000000000010

Pt -4.6006159167739131 0.0426462425544699 0.0000000000000010

Pt 4.5919329023997726 0.1050289130423353 0.0000000000000010

Pt 0.0073980704670316 0.0146116108260958 -4.5664470778210875
Pt 0.0073980704670316 0.0146116108260958 4.5664470778210839

873
Pt 1.3979785587228133 -3.8183335296792849 2.3071047839988550

Pt -1.5246030028428101 -3.7588742331513596 2.3311204986963610

Pt 1.3979785587228133 -3.8183335296792849 -2.3071047839988532

Pt -1.5246030028428101 -3.7588742331513596 -2.3311204986963592

Pt 3.6967741999752901 -2.2771157123315793 -1.4876701572570770
Pt 3.6967741999752901 -2.2771157123315793 1.4876701572570741

Pt -3.7655101263447919 -2.3290930883478427 -1.3982101177859294

Pt -3.7655101263447919 -2.3290930883478427 1.3982101177859265

Pt -1.3992284295743971 3.8478319303349977 -2.3021328066050515

Pt -1.3992284295743971 3.8478319303349977 2.3021328066050479

Pt -2.3073848778848385 1.4378074826554268 -3.6832963663473270

Pt 2.3332679862463359 1.5321577712154262 -3.8415096379189362
Pt -2.3057144815142219 -1.4007111996295045 -3.7360775694866755

Pt 2.2925051240989980 -1.3717549860092551 -3.7337929023228877

Pt -3.6547316898669076 2.2946416818174726 1.4181916562534809

Pt -3.6547316898669076 2.2946416818174726 -1.4181916562534786

Pt -2.3057144815142219 -1.4007111996295045 3.7360775694866746

Pt 2.2925051240989980 -1.3717549860092551 3.7337929023228895

Pt 2.3332679862463359 1.5321577712154262 3.8415096379189353
Pt -2.3073848778848385 1.4378074826554268 3.6832963663473288

Tc 3.0160462899342018 4.1783866377818049 0.0000000000000010

Tc 0.0561704355132202 4.4112664556550598 0.0000000000000010

Tc 1.2904685614075426 3.5604097197866880 -2.2453549209244512

Tc 1.2904685614075426 3.5604097197866880 2.2453549209244530

Tc 3.4253419078292504 2.4638609574706702 -1.5975133501193539

Tc 3.4253419078292504 2.4638609574706702 1.5975133501193510

874
 Pt55 configuration: ∆E tot = −5.64 eV

Pt -2.3672190030353590 -2.5738145981188350 -4.2865784779826512

Pt 1.7572558869610901 -3.8033413390221593 -0.9459550125726324

Pt -0.8172943296186190 -4.1687942526868706 -0.2716602483621600

Pt -1.0715904271715999 -0.2796196831535038 -2.3397899430897766
Pt -2.6727748406237168 1.8575096430863258 -2.8981897637339458

Pt -0.4327799523908737 1.4806617621901470 -4.4433679437979610

Pt -2.4524867663818526 -0.0081621509825194 -4.9368378322586546

Pt -4.3778004231479732 0.1826305526190968 1.7042275054266227

Pt 0.6643166748215776 -0.8851045215420807 1.5954869326812471

Pt 0.9816567675880776 1.3001258980310926 -1.6015317263694957

Pt 2.5760007603997508 0.2852024924143937 0.1745531311701214
Pt 1.0330638435040527 -3.6578792535542624 1.6463220374796137

Pt -3.6400956801519886 -0.8027494638669506 -2.7288206986604635

Pt -2.4049119217463613 -2.6386996216754213 4.5356960359148175

Pt -3.9695444529318129 -2.3412377943429217 2.3873531711504725

Pt 4.8698818110036370 0.5409813800359107 -0.9575757228395574

Pt 2.5814374220530567 3.8542585947273782 0.8794392551149812

Pt 4.2647461882650219 -0.5989157813279515 -3.2687019118530358
Pt -1.7876852909118668 1.0437779375026057 -0.2544062754154126

Pt -4.1538022963330130 2.7479830935039846 1.1535673139856684

Pt -2.8149855310904286 -3.2920855262655015 -1.8942138745132500

Pt 0.6117894348025885 4.3080764793619668 2.5624924814377508

Pt -0.0805240656736714 -1.2856805596266749 -4.5492526298609803

Pt 4.4784968018766307 -1.0022252715936357 1.3302379770209924

Pt 3.6369300146099732 1.9249697981257956 -2.8140144878908799
Pt 4.5216898558055050 3.2210590207702499 -0.6990388958751126

875
Pt -0.4565945224133117 3.4136569952316993 -2.5140003703581684

Pt 0.4129223720153163 1.6939073750691822 0.9883080324729363

Pt -1.7658915858633861 -0.0440454375248773 2.0345881669007539

Pt 3.8097132985243150 0.3054846553847970 3.5386353761166802

Pt 3.5753685276326763 -3.4679892853252943 0.9552971209430225
Pt -4.1296947185101676 -1.6274755321671304 -0.2302391448696923

Pt -1.3439283761465077 -0.1707724847321455 4.5653653390437299

Pt -2.9920567511274783 1.8031130002445312 3.4529313427645079

Pt -1.4393994707517805 -1.5683265517518290 -0.0365407857153812

Pt 2.1458185505238703 -2.1570884842437064 -3.2999589019118858

Pt -4.2780296643875761 0.9496935613035706 -0.8466695963764508

Pt 1.9405433569314567 0.3737909880307573 -4.0799058526303540
Pt 4.2984405580031222 1.7575729414066164 1.4394823929811267

Pt -3.4002126093229936 -4.0585389558805414 0.5025170653573880

Pt 2.6621756184721477 -2.0395597972750235 3.0082334338763630

Pt -1.5168702967992118 -3.3290717301142010 2.1602219451334221

Pt 0.1571093087153486 -2.4393111967584034 3.9120071407936265

Pt 2.0683978907257057 3.7385125503391752 -1.6789840611897890

Pt 0.0359290328998298 4.1412858824996679 0.0026236239048032
Pt -2.4247653743456539 3.4634407606831932 -0.7642425479844164

Pt 1.2520649740505689 -0.0087405249475179 4.0662777553435134

Pt -1.8222792816827393 3.5744711585899953 1.8733512884854591

Pt 1.6384165314655519 3.0178978712248554 -4.1783059352018554

Pt -0.3541418824596008 2.1006547850478459 3.6476433642497668

Pt -0.2093763048795552 -3.2205870121797133 -2.6688827281375396

Pt 3.9014972451475813 -2.0348076786876472 -1.1609423973425308
Pt 1.0697965067122652 -1.3469709029295895 -1.1013388422322308

876
Pt 2.2127257606136510 2.3004129266117506 3.0620235055006972

Pt -3.9814491742252764 -0.5295367117596665 4.2710638737760931

Pt55 configuration: ∆E tot = −5.30 eV

Pt -1.1281022843073440 2.8703052457473195 3.6250089513748645
Pt 1.3551897918622178 -0.4975140653892947 4.2666344921547488

Pt 1.0382401255126883 2.0120052109809894 4.9270868635823586

Pt -1.3137732725016473 4.1741612092904905 -0.3575925749564863

Pt -1.0773993779053210 0.4591825921657620 4.7063231573681588

Pt -0.6295997210187618 4.9104442940228257 2.0125004275377432

Pt 1.2089078972333471 1.2397489660022973 1.1715640601475297

Pt 1.6307203326416460 -2.9884644504783875 3.6536813940921444
Pt 1.0910360180841270 -4.0381624486318648 1.2324784019599644

Pt -3.5179222004504549 -2.4114524040947156 -0.2420018815941223

Pt 2.9563613720863930 1.3321004184164611 3.2782747557337597

Pt 4.0874959515884530 -1.5394468274188551 0.5693395075491434

Pt -2.0234984429766012 2.9372293957254829 -2.6147268086614037

Pt -0.9471743571883291 -0.6048329303516891 -1.9053731158544043

Pt -3.7563220089740650 1.1731733635504344 -1.6701529313154300
Pt -2.1236417962950451 0.0854797823340636 0.3128685202601940

Pt -4.2981707684365613 -0.9046390220443055 1.8243435145757712

Pt 0.4857105574486855 3.7451453104236538 -2.2310192102232254

Pt -0.4551416409791056 1.7498751062780560 -0.7731113394991542

Pt -0.1858780121325179 2.1381348758898202 -4.2965601857484774

Pt -1.4202439739811847 -3.9175781094778008 0.3216008093194755

Pt 3.5735679425547477 -3.6455098720309698 2.0341056278417522
Pt 1.3133733202270594 4.2755449344609975 0.2365198549523893

877
Pt 3.9689233763605234 0.7888441087326772 -0.6713621027116563

Pt 1.8982106815501556 0.9417663874630069 -5.4440548309179935

Pt -2.6237614829951195 -1.4438959480233375 3.7688554091609614

Pt 0.1946646132753660 -1.8610647770609443 0.0687478102334307

Pt -2.8343837344929437 3.4475792102235108 1.7438739964768200
Pt 1.5084204506942758 0.0090991229656101 -1.1271565728374799

Pt -0.8516700591554791 -3.2277668791523970 2.8215800336433272

Pt -3.8271374156836782 3.5904244665203340 -0.7210599688099126

Pt 1.3189489527508602 3.3228447050031651 2.6962692670410728

Pt -0.0564337618239659 -0.4827449161446520 -4.5224608319823023

Pt 3.0536616663595044 0.9132486932253006 -3.0990423229218909

Pt 3.4967502497766834 -1.4519880955378124 -2.0069532504340106
Pt 4.8764727523657729 0.6279424817997938 1.7802851980213585

Pt 3.1013550716330816 -3.6942484786880376 -0.5093031213967141

Pt 2.3537262237884153 -1.4353557065308262 -4.3972583703823904

Pt -4.5053168412430420 1.5740302735472529 0.8649501565006528

Pt 0.2043386586467637 -3.0523143206823979 -3.8882456653939403

Pt -1.8484184660898233 -3.1355870588277659 -2.1777644866384964

Pt -0.3944442076816994 -0.4941807471865882 2.1738809794124574
Pt 3.3858566655657700 2.7786833608214483 0.9969457353382420

Pt 2.2263734099095149 3.1958866644647532 -4.0888244702205174

Pt -3.3444628705165638 -3.3975695628586342 2.1272214671812844

Pt -5.3701380184936882 -0.5566299226242091 -0.5821588312279875

Pt -2.3405977645677165 0.6464055601450571 -3.8734592596376860

Pt -3.7939325065746754 -1.2872935283023974 -2.5808902127487858

Pt 2.9572018805607758 3.1537417374951264 -1.5488502444260792
Pt -2.7830176729600691 1.0342424242183785 2.7714865191076239

878
Pt 2.5855794324729420 -3.6880662784397336 -3.0440756026482365

Pt -2.1417470413236952 -1.9664310429736656 -4.4927056053674068

Pt 0.5568112137109598 -4.0031168194613533 -1.4217478887213151

Pt -0.4371008394984823 -2.1517471015283274 5.1544354502462664

Pt 3.6015319315867931 -1.2496685879731739 3.1470493264639128

Pt55 configuration: ∆E tot = −4.71 eV

Pt -0.5094411577927360 -0.6211179021996216 2.4664248591007674

Pt -1.5882539572367165 -1.5594209618571355 0.3667351219998505

Pt 0.6148514701656040 0.5008992837039656 -2.3313304188655923

Pt -0.0128153836744360 -1.9060459781309831 -1.6674603317819692

Pt 1.0715225995508462 -1.6775038192137899 0.6650209106902327
Pt 1.0223890681424734 1.3671398805082404 2.0272512291708029

Pt 2.1438962375525534 0.5347592342923448 -0.1969336456753172

Pt 0.2710463377241297 2.4073261155376642 -0.3209976956795391

Pt -1.6174217716943531 1.5345034472908097 1.3964389742965029

Pt -1.5864980752805593 0.6710016745702703 -1.0221680639955384

Pt 2.0848304660472508 -2.5900559988314242 -2.9970640820061778

Pt 3.8328412532696348 1.1841668933676530 2.0165522353980361
Pt -3.9875660530202452 1.0065982293181790 2.2879950847560071

Pt -1.4934144721926401 -1.9799029378711523 4.7587903116276902

Pt 2.5876358727696669 -0.1416336341832860 -3.9333140952981021

Pt 4.0018956861825075 -1.2817816836774867 0.9337035965957892

Pt 0.5186359230947346 -0.2324730627546998 4.8326465335992150

Pt -0.0018097066723755 2.3916378100865003 4.1772946531966095

Pt -1.9566009697713724 -2.1007135902211544 -3.4739335251180004
Pt 1.9662877051029852 3.5619045479263960 -2.0768437630703449

879
Pt -0.3574467333109510 4.0393192363147605 2.0134439009296177

Pt -0.0947711353402809 2.7910096487478953 -3.7073348564673987

Pt -1.6814871538691420 -4.4398959204350703 0.0853926248182280

Pt -3.3094193289276319 -2.7378699534254523 -1.3035302804160711

Pt 2.5894085218986191 -0.9015179138922704 3.1888175418330196
Pt -4.0520952165699100 1.6319255839973223 -0.4217477994606487

Pt 0.0048726046119754 -3.8868355024602366 -4.0658703203623654

Pt 3.8283279886062758 1.6261801787055745 -2.3423297549632327

Pt -3.8728990264654328 -3.4194907188123338 1.2048921944073339

Pt 2.5092631073196969 1.5033453144032976 4.3009405138919004

Pt 2.3474689979152572 3.5098215052845134 2.3967848648927497

Pt -2.2742586724519356 3.7527090676829928 0.0339548750768177
Pt -3.2616642421965452 -1.4334209893900365 2.8336264230958204

Pt 0.5051371483510110 -4.4488111904282661 -1.4608789109940705

Pt -2.4465753025526737 2.6166339311333573 -2.4681813880834387

Pt -3.5755359347212305 -0.2681337660130438 -2.3174433991122942

Pt -1.5393780688189196 0.4595519990476973 -3.9513433430860525

Pt -2.1026250922784300 0.5694627157740157 4.2507785670291280

Pt -1.9528716187752622 -4.6685487521474087 -2.5131146744995636
Pt -4.2578303991784878 3.5207801065856827 1.5868874181486081

Pt -1.5652064750978667 -3.5020064608472623 2.5084097980702307

Pt 2.7581679742943095 -3.2628504377209637 -0.5088434153273500

Pt 5.0979711157508660 0.8228394199112543 -0.2366467502992595

Pt 0.7272085216893629 -2.8098008545465731 3.6144127360305429

Pt 2.9327991682524868 -3.2996275068283367 2.2192006980899759

Pt -0.5551435247812151 4.4816466641824704 -1.7440593134060851
Pt 1.4432125681007477 4.6885088656741303 0.2185818453217916

880
Pt -2.4031816397535266 3.0618753237962935 3.3982959021156187

Pt 0.6985910268125366 -4.2100337832788384 1.1964003483042820

Pt 3.7628421436026400 -1.0245414800677892 -1.7091010081809817

Pt 0.5925061742928506 1.0112732589093625 -5.4865678568813943

Pt -4.1787200386252294 -0.8919041365530447 0.3664861135074613
Pt 2.4692638468729200 2.4766293059775322 -4.3704772235734461

Pt 0.3412735715009063 -1.4124731306123479 -4.7234989927778210

Pt 3.5107840515751008 2.9849628236699104 0.0048550333875301

Pt55 configuration: ∆E tot = −4.27 eV

Pt 1.0694869406699894 1.3313308200296827 0.8954910284231143

Pt -3.3308423393388411 -2.6498323904589185 0.0449997041353996
Pt 0.8013691858688770 -2.8218690857134856 3.3329144749108330

Pt -3.3970151737364187 1.3895082218135268 2.3044950036181611

Pt 1.0999873787010639 0.0006300179872145 -1.4687206962458728

Pt 1.0154946816013464 0.0071167731704183 3.2674440345129785

Pt 0.9959708127771894 4.0262554447780801 0.9272810491837919

Pt 1.3243976153175421 3.1208700061750196 -1.5982485243082394

Pt 3.1201535019615836 3.9576596110236633 2.4723588263624112
Pt 1.0761069463421773 -1.3231318124113916 0.8995085076132732

Pt 1.3401250455229530 -3.1195018301563255 -1.5889669286856840

Pt -1.3501163964943483 1.4916563796099052 3.9943982859456657

Pt -3.3904908543684620 -1.3992006750534589 2.3088352301463733

Pt 3.3296270298791040 1.4014908556666494 -2.0562029780524576

Pt -3.4315820075696770 -0.0014487612262819 4.5337653005012726

Pt 1.0152903424982238 -4.0183543612583890 0.9393091952642081
Pt 3.3368177754540795 -1.3916584700080108 -2.0520173938772839

881
Pt 3.5304408341090667 -1.2846767440435265 2.4902760299065623

Pt -1.1394571256805364 -0.0002413326967599 1.6061892877420174

Pt -3.5720908838452567 1.2941238642951109 -2.2649639127739363

Pt 3.1390890220473171 -3.9351001813187434 2.4842272291758256

Pt -1.3408928900926824 3.0712837544946368 1.7967675975070314
Pt -3.5654092968140034 -1.3186406868808955 -2.2610785398289384

Pt 0.7879222980837230 2.8353350904320642 3.3239360931644022

Pt -1.3260904976859127 -3.0725135015346572 1.8061567234694529

Pt -1.0509199724947642 -0.0068385034795853 -3.1340530754635987

Pt 3.5243682096486353 1.3094193752854331 2.4864425178282161

Pt 3.7991022443187354 0.0094721952435961 0.1952286303871045

Pt 3.3841223904631956 0.0016731256800462 -4.2803765404818792
Pt -3.2547675959636022 -0.0151506792512492 -4.6152461008932555

Pt 3.2989857382741459 2.6536714423183163 0.1935240898881982

Pt -0.8324382360417300 2.9651839177873747 -3.1161378230983532

Pt -3.0698657311776438 2.5835098264005847 -4.5463597661518751

Pt 3.3118973071272872 -2.6373317715121551 0.2014501607109445

Pt -3.1528378296984849 3.9503913499101326 -2.2341126810158034

Pt -3.0560605328576367 -2.6124055716228618 -4.5387440727544348
Pt -1.1077338321161694 1.3294935762319593 -0.7847672810227326

Pt -0.8173605569257312 -2.9783456515970261 -3.1071158349703083

Pt -0.9042308226579898 1.4174250644525284 -5.3608607290864194

Pt -1.0319851570725636 4.0121495204014952 -0.6718273147313418

Pt -3.1333072106815925 -3.9727393690007951 -2.2225522559246045

Pt -0.8969486571509133 -1.4369836293058000 -5.3560646404362986

Pt -1.1014143423924416 -1.3366693443053332 -0.7809430656462393
Pt 1.3083353432018647 1.6401503923565084 -3.7917011731891286

882
Pt 1.2018684419886263 -0.0055507009345312 -5.8853965784111448

Pt -1.0126429679565128 -4.0188523116777448 -0.6598853859326042

Pt 1.3169536193077658 -1.6454855732127616 -3.7868589369370929

Pt 3.1599007088795457 0.0149580915504863 4.8280042385921451

Pt -3.7258238403511603 -0.0091044977714585 0.0282126417067730
Pt -1.3431968495224780 -1.4864431388374051 3.9990659918959484

Pt 2.9479144851182486 2.6042654161020060 4.7773489363529578

Pt -3.3435150018560513 2.6336087699059352 0.0370836196355935

Pt 0.7389986768174541 1.3068666696221083 5.5994257833285399

Pt 2.9599542863127404 -2.5750569011701696 4.7852772501245369

Pt 0.7443557402511800 -1.2863720962847012 5.6037847678858430

Pt55 configuration: ∆E tot = −3.70 eV

Pt 0.0364365512427582 0.0302991978537559 2.3418002832813158

Pt 1.5010655814450473 0.0850357779544222 0.0293660860882028

Pt -2.5867585728330198 -2.1491013912459564 3.9201616695040826

Pt -4.1424353124372146 -2.0939137590997277 1.6685276203222088

Pt -0.0052424158819946 2.2335332031837734 0.7609852212700190

Pt 2.7419027799929996 -2.1075791488608431 3.8354249053328147
Pt -1.5257443651276219 2.2396279758400279 3.1459077326439200

Pt 3.0716519654909860 -2.1483149884826744 -0.8379981401146210

Pt -1.3513468107026227 0.0106353608563463 4.6528690984597603

Pt 1.3906854969133065 -2.1107255471780277 1.6169010546137770

Pt 2.9951416820456842 2.3528009637297114 0.8657843698504024

Pt 1.4954740993697584 0.0330234297017196 4.6085750546585587

Pt -2.6616628751623210 -4.2556486748016837 1.0038196754305631
Pt 4.2947658943661366 0.1413851185375243 -0.0027107883861248

883
Pt -0.0845465426398988 2.4051200124232590 -4.2427945033719547

Pt 2.7570736308935011 -4.2133488393143992 0.9174125089609788

Pt -3.1004176423992362 -0.0238817719795108 -2.3146875491100900

Pt 1.3614531813611563 0.1535661814617182 -4.5309609010718512

Pt -1.3062558524726313 -2.1314906209467566 1.6600714643559193
Pt -1.7013195543088102 -2.1362253921579608 -2.9767399831985557

Pt -1.5047191324706972 0.1319578724392354 -4.4842913208856041

Pt -3.0567733436926687 0.1370299847576284 2.5261283615545551

Pt -0.0358480107515788 0.1121463858886838 -2.2421401416525981

Pt -2.7632005606671726 2.2618605632032054 -3.7218451329174806

Pt 0.0507172946478534 -4.7134723399127481 0.9196126174657877

Pt 4.1460738185875385 2.2904766254109941 -1.5600369219549037
Pt -0.0656693584605392 -1.9638345621091631 -5.0947257054245663

Pt 3.1315822925157022 0.1848653150876540 2.4286063080861169

Pt -1.3929182716002941 2.2546488392962996 -1.5076363614321622

Pt 2.6109094060965958 2.3026377508642462 -3.8095123466585799

Pt 1.5883138955992138 2.2636327168015296 3.0976652767698027

Pt -4.2285574274797568 2.2254060368297868 -1.4277831458769157

Pt 1.3337514840003024 4.3790741165407265 1.4991781709307190
Pt 4.2247668698560119 -2.0281041949564056 1.5342766759259803

Pt 1.6385732026924700 -2.1108477398752186 -3.0314676110834151

Pt -1.3532498138520310 4.3580013074865516 1.5402217594973422

Pt -1.5013002118709693 0.0620735430460027 0.0770039796120585

Pt -0.0241314790511069 -4.1406652448894263 -3.5070898852485621

Pt -0.0486815790071375 4.8546922661201304 -0.7653311193315204

Pt -3.0031964699237363 2.3061351096518248 0.9595234070762473
Pt 1.3118846393015406 2.2754318889544631 -1.5511917748902988

884
Pt -2.7262121828720467 4.3713876787961450 -0.7567738255702636

Pt 0.0052211604909189 -2.0906904299414109 -0.6476384160812501

Pt 3.0262267080785676 0.0224450846911477 -2.4125608843448560

Pt 2.6354084786485288 4.4134542169323279 -0.8393573152964251

Pt 1.4421719501623773 -4.2400638788051666 -1.3348220819193699
Pt 1.3944370232966037 -4.3280354917688655 3.2174326001179168

Pt -1.3883542995636731 4.4636893880612316 -3.0681184396447359

Pt -3.0637415246545316 -2.1948172865562938 -0.7389364616248315

Pt -1.2251819707256999 -4.3482859233954159 3.2584838527942424

Pt 1.2259749267459625 4.4839826390555313 -3.1081659563177775

Pt -4.2956593216405992 0.0737227132668661 0.1338334649727813

Pt 0.0866937141024664 -2.2566442681518097 4.3609041962044444
Pt 0.0642593189004543 2.1342532748839229 5.2241009291795688

Pt -1.4194921445948268 -4.2623410451788928 -1.2892616315506302

Pt55 configuration: ∆E tot = −3.03 eV

Pt -1.8508614282255547 0.4803300399845956 -0.8389512988226997

Pt 0.4816095043458706 1.7919773360895608 -1.0481375213702435

Pt 3.2187472401853672 2.5332870571799493 -0.5851694123253495
Pt 4.2959807042516633 0.3890335776013973 -1.6032979226546402

Pt 1.7620893224039964 -0.4459037230491969 -1.5411758318804445

Pt -0.5166469602126664 -1.8727248424243879 -1.4103672529788227

Pt 0.7911934452039606 -3.9368394770381041 -2.2115991664567289

Pt 2.2965920586339212 -3.7630662759560050 0.0303595175329363

Pt 3.9793466670874285 -1.6219016840954463 -0.0003847319007733

Pt -1.1821718432449995 1.4748987230456425 1.4706702804295375
Pt -1.3000899085342308 -1.1966922824979047 1.0905133940020519

885
Pt -0.3719145481357042 -3.9831903184623894 0.2428459232047047

Pt 1.4434607753200641 1.2389562503916398 1.3097923575354926

Pt 3.5209155289263254 3.4204981030664374 1.8492700143917418

Pt 3.4004702894691707 -2.5571132446780904 2.2605346232340437

Pt 4.0645502653626568 0.7127456091965900 1.2316552796879918
Pt 1.3828245792706060 -1.3802831620378964 0.8419532239157164

Pt 1.0037304421979361 -3.5777401705906566 2.4559503208565516

Pt 4.0506981277863208 -0.6808586897250120 3.8101539473172963

Pt 2.8297084398068950 1.5469565462291417 3.5455266018211020

Pt 1.1336154644101146 3.4369926281998762 2.9548109570004399

Pt 0.2868933829963130 -0.4015892450713618 2.9660023682485033

Pt -1.1353529109334612 2.6085929928380569 3.8256652953000625
Pt -0.9087576214701141 0.3345579468803539 5.0738058910206885

Pt -0.1927817312187283 -2.3173050860349331 4.5966013341680778

Pt 2.3940970013043472 -2.7831814667099319 4.6363077806498794

Pt 1.7198187655882027 -0.2233682024346120 5.0753115396098618

Pt -1.0492252015943802 -3.4637343111364043 -4.0310250918584174

Pt -1.0732952449708488 -1.0502224623253067 -5.1767772297000860

Pt -0.3647259691697240 0.1972288324312217 -2.9558299310694949
Pt 0.0661763260775974 2.9452883032221298 -3.5949236466404173

Pt 2.5667302584563760 1.8790636739200171 -3.0838364172623969

Pt 3.2181526254350263 -0.4390501422947448 -3.9946748380317203

Pt 3.0914615400848522 -2.5467028132490963 -2.2866938193900168

Pt 1.1582750492185614 -2.0377879407481441 -4.0613147084264583

Pt 0.9992821859852814 0.6945722075870453 -5.0593481502987103

Pt -3.3190281699283570 -2.2268317369593529 -4.8407617910573677
Pt -2.8259969125251825 -2.6529388995563590 -2.3234335525363221

886
Pt -2.9170411224688859 -3.2129631201360507 0.1810917204409961

Pt -1.6402515257244357 -3.3111496061138705 2.5488693402181397

Pt -2.6892818934477969 -1.6388117812822269 4.4274172270435983

Pt -3.1836108030107635 0.7146594458526767 3.5110017278907364

Pt -4.0067669184086849 1.0376573681776353 1.0210800683238617
Pt -4.5397462143278613 1.4723466266195846 -1.5378448578931980

Pt -1.6219851323296677 1.4927174238096246 -4.9892329149568795

Pt -3.2062550756707235 -0.0595629492090364 -3.2981386549306890

Pt -3.7079431949150869 -1.4430214358436739 1.9906894079876238

Pt -4.0950185690446954 -1.0058680042438777 -0.6837659363536162

Pt 1.8154508843636723 4.2137988132600430 -2.1241265423607061

Pt 1.3343080649875692 4.1433906408051246 0.4491435840717699
Pt -1.1085473585628858 4.0909067669258565 1.4778419977359292

Pt -2.3972156631422603 2.4877196014347494 -2.6332828681064271

Pt -3.3827330721221056 3.1433359904839211 2.4662603263378671

Pt -2.9938368992815025 3.2214508104538613 -0.1848856546908948

Pt -0.7250970465390036 4.1274397582172799 -1.2421463060236064

Pt55 configuration: ∆E tot = −1.95 eV

Pt -3.4415274129693412 -2.0582743070580811 2.4052744249333600

Pt -2.5894378739483326 -4.2480423814951216 -1.3058011221516708

Pt -4.0628103777757243 -2.1580217251172051 -0.2553673050198668

Pt -2.5752294763204358 -4.3274652246755885 1.3351652592458052

Pt -4.5497348343982420 0.0621323535520339 1.2204634789174449

Pt -0.2696776191770507 -4.2354712432832820 2.4121356816465251

Pt -3.1397613437355627 -2.1138865549411001 -2.7329705559559230
Pt -0.1640714810033526 -4.5235836579144966 -0.3668783296715574

887
Pt -1.1107102064738168 -1.9569777478795736 3.6032109938703556

Pt -1.5920266345923491 -2.0316023801122576 0.5174167303497441

Pt -2.5921638252792345 0.2280886569752063 3.5628064585308223

Pt -0.6896536413461174 -1.9997871821073936 -1.8874392781935612

Pt -0.3521645573864642 -4.2070273671009595 -3.0433858372461424
Pt -3.9060527778727643 2.4026089962123685 2.5772951941412074

Pt -3.8842316592972761 0.1557974932228241 -1.4368363147901633

Pt 0.9305084526549283 -2.1474871965136053 1.2501443497726044

Pt -4.0683673457079177 2.6168822271212981 -0.2249087655405688

Pt -2.3167030834966109 1.1782981191519788 0.9053953182176642

Pt -1.1429431548472646 -1.9590451263130824 -4.5589637934922758

Pt 1.9776563028078673 -3.7124784259660935 -1.6597416182994849
Pt 0.3295747419147634 0.2615543777775464 -4.5989894987364375

Pt 2.1763423435638973 -4.3587439373005843 0.8996666488406149

Pt 1.3670959874258219 -1.9442295022579223 4.3511225468441168

Pt 0.0853071567616528 0.4129055376972026 4.5121767080602453

Pt 1.3712805458948996 -2.1757765983897990 -3.8279220538799814

Pt 1.6856921052032110 -1.1119876505509403 -1.0855330476523122

Pt -0.2381872152015969 -0.0073821629703410 2.0452117465355926
Pt -3.3460095644677690 2.3630219022466328 -2.7529957656405557

Pt -1.3101336413223290 2.5764228898470272 3.4260067484629317

Pt -0.5884885253161425 0.1457224808811226 -0.6202599138804246

Pt -2.1588322273484888 4.0177143587817206 1.2449235464088346

Pt -0.7160490668083579 2.4612211830164235 -1.6601018947859600

Pt 3.8308402351287700 -2.1149176200947117 -2.7540076423545159

Pt 3.2998498590877663 -2.3767208520923866 2.4869151309645545
Pt -1.9270241256876854 0.2225793423892704 -3.2308950828668879

888
Pt -2.4064045154278144 4.4140056235140470 -1.3769830715945020

Pt 0.0687702683177864 2.3599167585832852 0.8829832739059142

Pt 2.6900301195980294 0.1139426619428896 -3.4530169671806812

Pt 3.8632450633428395 -2.4418908530841001 -0.1037845106866300

Pt 2.6232186013062719 0.1814011821158950 3.5299750126453731
Pt 2.0025567676095424 -4.3500586844973377 3.5793761650635290

Pt 4.1742464366398284 0.0654710433711649 -1.1952579024396854

Pt -1.0711605784745242 2.5230734461183211 -4.2286281993950832

Pt 1.3406225452514438 2.5278279588186230 3.3803822093624447

Pt 2.1533836002514395 0.6490742939386855 0.9403264019846276

Pt 0.0687325804975334 4.7014805664189119 2.4998266476148885

Pt 1.7106703185504646 1.5565425217452464 -1.4591380230705013
Pt 1.5675420877849664 2.5392460402887913 -3.8518334711882938

Pt -0.0154000627377311 4.6354682541388179 -2.8549947299531127

Pt 2.2387502173025755 3.9019163825484959 1.1482931151972267

Pt 4.4773534292584802 -0.3124756753804938 1.4816422750188476

Pt 3.8539980456562635 2.1765253556844790 2.3626822734337409

Pt 0.0308381082030795 4.8329027813405254 -0.1786793972969960

Pt 2.2563662449879534 4.0452321820807278 -1.5782025238220356
Pt 4.0504846634182403 2.5443570855747772 -0.2773017231832924

Pt55 configuration: ∆E tot = −0.38 eV

Pt 3.6758053363909919 0.7281436374832833 -1.2812881396215641

Pt 0.5915622934677298 3.8379645761018555 -2.6828788843629230

Pt 2.6764500004044685 -0.9747006354681496 -3.0978821073946836

Pt -2.0376686635032986 3.1412903559107548 -2.1472717499357952
Pt -3.4850840022283140 1.3313908679642257 -0.7351531166912153

889
Pt 0.4529586717975853 6.2917318770308750 1.0850377284686044

Pt -0.4676474860477740 -2.5741784186036707 3.8155916012749351

Pt 1.9115848819346652 1.5493708816826270 -3.1195716137269898

Pt 4.1704869541135015 -1.9289065886473900 -1.1856700438623573

Pt 0.7813300566530508 -0.1987507073514756 -4.7829946768506204
Pt -2.3255542231690161 3.3993131460375761 0.5534624126282832

Pt -3.8821302584543176 -1.0975264422444457 -1.8036556564846258

Pt 2.3665782964746231 4.3516420112729239 1.3611626759520146

Pt -3.3521372406642413 -1.5025357439485649 -4.3971518817198412

Pt -1.7482079206641483 0.2114300941327230 -5.6359831367184725

Pt 0.4112919121238150 3.1687272346687330 0.0112658016015104

Pt 3.3255763492067736 -3.9033600605418091 1.6507859429720533
Pt 5.5820917469466771 -2.8712026390946050 0.7909041915807862

Pt 1.5457455385540229 0.9482145725521516 0.7850519485631811

Pt 1.9481325371331089 -3.5093112794394612 -0.6408888586375117

Pt 5.0544889124272530 -0.1843655158990014 0.9274109917664770

Pt 1.5864654807337288 2.3202499099434295 3.0136626412122407

Pt -4.5427934031663790 -0.6429820348359385 0.6667810406594885

Pt 4.6947988950154844 -1.9328863865317469 3.0683389404482551
Pt -0.5862966406022565 2.0730142462742442 -4.1802765036542233

Pt -1.9293053828976152 -0.3776739002332512 4.4314423709191129

Pt -3.5016153302113517 1.4978536770516779 2.0162703850115680

Pt -0.9654457550653639 5.2139434314037647 -0.8660058151416976

Pt 0.2191167833743393 -1.2199088109685245 1.4837891924819289

Pt -1.5885568897284301 -1.1825017500664803 -0.4803079634720717

Pt 1.7514831554248467 5.6119716916950022 -1.0543350906434963
Pt -2.3387169007929760 -1.0629943219233802 2.0131278708531877

890
Pt -4.4955026335931647 -0.6535871561406328 3.4162179234884675

Pt -2.8974089812433537 0.9125810300637092 -3.2941962337982389

Pt -1.0686787234092296 1.9333714233081327 3.4615885364306287

Pt 2.7694468077793424 3.1828461804235122 -1.1849560886450625

Pt 0.6695545979132476 -0.0333726594211043 3.9503268165053171
Pt -1.9553392518810391 -3.7076511642686132 1.7847286512332659

Pt 0.6763872553620889 -3.8334655667091857 1.7370267083725928

Pt -2.1394035206727722 -3.2141375757346315 -2.7840350263477500

Pt -0.9217554568052577 -0.8461165896981644 -2.9771735573984053

Pt -0.8421812537849327 -2.3786148933811599 -5.0968206739507913

Pt -0.7264111777929934 -3.7901907436497488 -0.5950496411474422

Pt -0.3447092322204330 1.1999523194687978 -1.5282540815477006
Pt 3.8303926083926978 2.1432755440582767 1.0407355879290385

Pt -4.5395854372155551 -2.9623429737298146 1.8881656929502899

Pt 3.2141094633487217 0.2556667187172934 3.0479732080408404

Pt -3.0637531461611767 -2.9090370705406610 4.1189857358790967

Pt 1.0935765767318557 -0.9555257188677029 -1.0813220121219107

Pt -3.3716921886331015 -3.3655870398106140 -0.4584462258274140

Pt 2.0966097416973177 -2.2617091440611112 3.5162505515856068
Pt 0.6178256612460515 -2.9999948671484535 -2.8490032693305878

Pt 2.7769795511265425 -1.4328613525607423 0.9657586031781893

Pt -1.0769634971570063 1.0882514915642805 1.0270101825386462

Pt -0.2962854680088061 4.1157828327103179 2.3117181145077748

Pt55 configuration: ∆E tot = 0.00 eV

Pt 0.0000000000000142 0.0000000000000107 0.0000000000000142
Pt 0.0000000000000142 1.3375341144391193 2.2544455483354255

891
Pt 0.0000000000000142 1.3375341144391193 -2.2544455483353989

Pt 0.0000000000000142 -1.3375341144392561 2.2544455483354255

Pt 0.0000000000000142 -1.3375341144392561 -2.2544455483353989

Pt 1.3375341144391228 2.2544455483354220 0.0000000000000142

Pt -1.3375341144392525 2.2544455483354220 0.0000000000000142
Pt 1.3375341144391228 -2.2544455483354024 0.0000000000000142

Pt -1.3375341144392525 -2.2544455483354024 0.0000000000000142

Pt 2.2544455483354255 0.0000000000000107 1.3375341144391228

Pt 2.2544455483354255 0.0000000000000107 -1.3375341144392525

Pt -2.2544455483353989 0.0000000000000107 1.3375341144391228

Pt -2.2544455483353989 0.0000000000000107 -1.3375341144392525

Pt -4.3855153285590251 0.0000000000000107 -2.7127381499189784
Pt 0.0000000000000142 2.7127381499190015 4.3855153285590518

Pt 0.0000000000000142 2.7127381499190015 -4.3855153285590251

Pt 0.0000000000000142 -2.7127381499189820 4.3855153285590518

Pt 0.0000000000000142 -2.7127381499189820 -4.3855153285590251

Pt 2.7127381499190051 4.3855153285590482 0.0000000000000142

Pt -2.7127381499189784 4.3855153285590482 0.0000000000000142

Pt 2.7127381499190051 -4.3855153285590287 0.0000000000000142
Pt -2.7127381499189784 -4.3855153285590287 0.0000000000000142

Pt 4.3855153285590518 0.0000000000000107 2.7127381499190051

Pt 4.3855153285590518 0.0000000000000107 -2.7127381499189784

Pt -4.3855153285590251 0.0000000000000107 2.7127381499190051

Pt 0.0000000000000142 4.6559192579341833 0.0000000000000142

Pt 0.0000000000000142 -4.6559192579343200 0.0000000000000142

Pt -4.6559192579343165 0.0000000000000107 0.0000000000000142
Pt 4.6559192579341868 0.0000000000000107 0.0000000000000142

892
Pt 0.0000000000000142 0.0000000000000107 -4.6559192579343165

Pt 0.0000000000000142 0.0000000000000107 4.6559192579341868

Pt 1.4295702140416324 -3.7364408575279864 2.3045022010513492

Pt -1.4295702140416058 -3.7364408575279864 2.3045022010513492

Pt 1.4295702140416324 -3.7364408575279864 -2.3045022010513225
Pt -1.4295702140416058 -3.7364408575279864 -2.3045022010513225

Pt 3.7364408575280095 -2.3045022010513261 -1.4295702140416058

Pt 3.7364408575280095 -2.3045022010513261 1.4295702140416324

Pt -3.7364408575279828 -2.3045022010513261 -1.4295702140416058

Pt -3.7364408575279828 -2.3045022010513261 1.4295702140416324

Pt 1.4295702140416324 3.7364408575280059 -2.3045022010513225

Pt 1.4295702140416324 3.7364408575280059 2.3045022010513492
Pt -1.4295702140416058 3.7364408575280059 -2.3045022010513225

Pt -1.4295702140416058 3.7364408575280059 2.3045022010513492

Pt -2.3045022010513225 1.4295702140416289 -3.7364408575279828

Pt 2.3045022010513492 1.4295702140416289 -3.7364408575279828

Pt -2.3045022010513225 -1.4295702140416093 -3.7364408575279828

Pt 2.3045022010513492 -1.4295702140416093 -3.7364408575279828

Pt -3.7364408575279828 2.3045022010513456 1.4295702140416324
Pt -3.7364408575279828 2.3045022010513456 -1.4295702140416058

Pt -2.3045022010513225 -1.4295702140416093 3.7364408575280095

Pt 2.3045022010513492 -1.4295702140416093 3.7364408575280095

Pt 2.3045022010513492 1.4295702140416289 3.7364408575280095

Pt -2.3045022010513225 1.4295702140416289 3.7364408575280095

Pt 3.7364408575280095 2.3045022010513456 -1.4295702140416058

Pt 3.7364408575280095 2.3045022010513456 1.4295702140416324

893
 Pt55 configuration: ∆E tot = 1.84 eV

Pt 0.0000000000000036 0.0000000000000000 4.0837039705925324

Pt 0.0000000000000036 -4.5271251844876454 2.7940860430528964

Pt 1.3232246204328639 -2.3178961205444644 3.6092069328354608

Pt -1.3232246204328586 -2.3178961205444644 3.6092069328354608
Pt 2.6136249868738854 0.0000000000000000 3.6560375257395403

Pt 3.9006956856019350 -2.4072589104041455 2.8791937902243792

Pt 3.9006956856019350 2.4072589104041526 2.8791937902243792

Pt 2.1747155148199973 -3.9856032638472545 1.1585389297902910

Pt 4.6554059977581481 0.0000000000000000 1.9289500453982704

Pt 1.3232246204328639 2.3178961205444644 3.6092069328354608

Pt -2.6136249868738854 0.0000000000000000 3.6560375257395403
Pt -3.9006956856019253 -2.4072589104041455 2.8791937902243792

Pt 5.0325233263280946 -1.8480130117287992 0.2088444808667109

Pt 2.3802634370148414 -1.3371921093381580 1.1059476941180719

Pt -1.3232246204328586 2.3178961205444644 3.6092069328354608

Pt 0.0000000000000036 0.0000000000000000 1.4786930173685580

Pt -2.1747155148199937 -3.9856032638472545 1.1585389297902910

Pt 0.0000000000000036 -2.5241900126658070 1.0922162146472800
Pt 2.3802634370148414 1.3371921093381633 1.1059476941180719

Pt -3.9006956856019253 2.4072589104041526 2.8791937902243792

Pt 0.0000000000000036 -4.6199184003760445 -0.5298844203479280

Pt -2.3802634370148379 -1.3371921093381580 1.1059476941180719

Pt 5.0325233263280946 1.8480130117287992 0.2088444808667109

Pt 0.0000000000000036 4.5271251844874953 2.7940860430528964

Pt 2.1747155148199973 3.9856032638472509 1.1585389297902910
Pt 3.0329954178302341 -2.6946921695012325 -1.1208696868624504

894
Pt -4.6554059977581472 0.0000000000000000 1.9289500453982704

Pt 4.0021765178626243 0.0000000000000000 -1.4831852018356919

Pt -2.3802634370148379 1.3371921093381633 1.1059476941180719

Pt 0.0000000000000036 2.5241900126659687 1.0922162146472800

Pt -5.0325233263280902 -1.8480130117287992 0.2088444808667109
Pt 1.4388714132776119 0.0000000000000000 -0.8996853003076026

Pt -2.1747155148199937 3.9856032638472509 1.1585389297902910

Pt -3.0329954178302279 -2.6946921695012325 -1.1208696868624504

Pt 3.0329954178302341 2.6946921695012271 -1.1208696868624504

Pt -1.4388714132776013 0.0000000000000000 -0.8996853003076026

Pt 0.0000000000000036 -2.1316490731101556 -1.5071490070335045

Pt 1.4226986670925115 -3.8677919005802845 -2.7832332211737807
Pt -5.0325233263280902 1.8480130117287992 0.2088444808667109

Pt 0.0000000000000036 4.6199184003760454 -0.5298844203479280

Pt -4.0021765178626181 0.0000000000000000 -1.4831852018356919

Pt -1.4226986670923445 -3.8677919005802845 -2.7832332211737807

Pt 2.4966397646374219 -1.3442175561010110 -3.3132572156839410

Pt -3.0329954178302279 2.6946921695012271 -1.1208696868624504

Pt 0.0000000000000036 2.1316490731101521 -1.5071490070335045
Pt 2.4966397646374219 1.3442175561010110 -3.3132572156839410

Pt 0.0000000000000036 0.0000000000000000 -3.0636712857453317

Pt -2.4966397646375746 -1.3442175561010110 -3.3132572156839410

Pt 0.0000000000000036 -2.2516751954214680 -4.4389886165770669

Pt 1.4226986670925115 3.8677919005802810 -2.7832332211737807

Pt -2.4966397646375746 1.3442175561010110 -3.3132572156839410

Pt -1.4226986670923445 3.8677919005802810 -2.7832332211737807
Pt 1.3277074522955612 0.0000000000000000 -5.3505035420736027

895
Pt 0.0000000000000036 2.2516751954214644 -4.4389886165770669

Pt -1.3277074522955647 0.0000000000000000 -5.3505035420736027

896