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In - Ni Singlecrystal
In - Ni Singlecrystal
boundary s s s
echo both
atom_style atomic
region box block 0 30 0 30 0 30 units box
create_box 1 box
# Energy Minimization
#minimize 1.0e-3 1.0e-6 10000 100000
log log_Ni_sample.data
velocity all create 10 873847 rot yes mom yes dist gaussian
thermo 10
run 100