parameters

epsilon (J/mol) 650 Lennar

sigma (nm) 0.3166
3000000000
Average distance Derivative of V
r V(r) (r2+r1)/2 (V2-V1)/(r2-r1) 2500000000
0.1 2634346029 -649.9742

(J/mol)
0.101 2337705387 0.1005 -296640641614.773 2000000000
0.102 2076903391 0.1015 -260801996845.081
0.103 1847320924 0.1025 -229582466374.284 1500000000

v ()r
0.104 1644970840 0.1035 -202350084371.241
1000000000
0.105 1466406571 0.1045 -178564268979.518

potential
0.106 1308644662 0.1055 -157761909021.68
500000000
0.107 1169098988 0.1065 -139545673535.403
0.108 1045524816 0.1075 -123574172611.391 0
0.109 935971153 0.1085 -109553662795.36 0

0.11 838740110 0.1095 -97231043347.445 -500000000

0.111 752352176 0.1105 -86387933140.0885
0.112 675516523 0.1115 -76835653703.0943
0.113 607105549 0.1125 -68410973330.7379
0.114 546133058 0.1135 -60972491412.3526
0.115 491735496 0.1145 -54397562175.1887
500
0.116 443155822 0.1155 -48579673599.3672
0.117 399729611 0.1165 -43426210999.199
300
0.118 360873065 0.1175 -38856546167.4872
0.119 326072663 0.1185 -34800402461.2527 100
0.12 294876209 0.1195 -31196454104.7342 0 0.2 0
0.121 266885084 0.1205 -27991124573.6799 -100

0.122 241747530 0.1215 -25137554429.4655

-300
0.123 219152816 0.1225 -22594713577.6994
0.124 198826179 0.1235 -20326636786.1649 -500
0.125 180524415 0.1245 -18301764536.6921
0.126 164032041 0.1255 -16492374008.6416 -700

0.127 149157953 0.1265 -14874087283.6715

-900
0.128 135732508 0.1275 -13425445793.3631
0.129 123604966 0.1285 -12127541661.925
0.13 112641268 0.1295 -10963697974.3968
0.131 102722077 0.1305 -9919191167.19673
0.132 93741067 0.1315 -8981009726.35494
0.133 85603422.77 0.1325 -8137644217.5279
0.134 78224518.38 0.1335 -7378904384.5489
0.135 71528758.72 0.1345 -6695759659.51403
0.136 65448558.78 0.1355 -6080199943.76253
0.137 59923444.82 0.1365 -5525113959.47596
0.138 54899262 0.1375 -5024182847.58869
0.139 50327475 0.1385 -4571787009.10027
 0.14 46164550.5 0.1395 -4162924461.93438
0.141 42371411.28 0.1405 -3793139221.14884
0.142 38912952.87 0.1415 -3458458412.45477
0.143 35757615.87 0.1425 -3155337002.58188
0.144 32877006.69 0.1435 -2880609179.25915
0.145 30245561.15 0.1445 -2631445542.00043
0.146 27840245.77 0.1455 -2405315375.5257
0.147 25640292.4 0.1465 -2199953373.06231
0.148 23626962.14 0.1475 -2013330259.14903
0.149 21783335.31 0.1485 -1843626832.75242
0.15 20094124.29 0.1495 -1689211013.08624
0.151 18545506.77 0.1505 -1548617523.85246
0.152 17124976.87 0.1515 -1420529897.84435
0.153 15821212.35 0.1525 -1303764523.95434
0.154 14623955.85 0.1535 -1197256493.45631
0.155 13523908.82 0.1545 -1100047032.7078
0.156 12512636.48 0.1555 -1011272335.7561
0.157 11582482.85 0.1565 -930153633.272951
0.158 10726494.5 0.1575 -855988354.236528
0.159 9938352.243 0.1585 -788142254.225848
0.16 9212309.843 0.1595 -726042399.422839
0.161 8543138.935 0.1605 -669170908.731842
0.162 7926079.566 0.1615 -617059368.071461
0.163 7356795.725 0.1625 -569283841.08685
0.164 6831335.316 0.1635 -525460409.464568
0.165 6346094.132 0.1645 -485241183.86439
0.166 5897783.399 0.1655 -448310733.357191
0.167 5483400.511 0.1665 -414382887.296362
0.168 5100202.643 0.1675 -383197868.857894
0.169 4745682.918 0.1685 -354519724.153896
0.17 4417548.903 0.1695 -328134014.935277
0.171 4113703.157 0.1705 -303845746.521807
0.172 3832225.651 0.1715 -281477505.791404
0.173 3571357.864 0.1725 -260867786.879346
0.174 3329488.38 0.1735 -241869484.726649
0.175 3105139.841 0.1745 -224348538.816574
0.176 2896957.129 0.1755 -208182711.383335
0.177 2703696.643 0.1765 -193260486.098504
0.178 2524216.568 0.1775 -179480074.76513
0.179 2357468.048 0.1785 -166748520.900921
0.18 2202487.157 0.1795 -154980890.289797
0.181 2058387.618 0.1805 -144099539.644762
0.182 1924354.162 0.1815 -134033455.469253
0.183 1799636.506 0.1825 -124717656.043413
0.184 1683543.856 0.1835 -116092650.207931
0.185 1575439.909 0.1845 -108103947.282141
0.186 1474738.296 0.1855 -100701613.044322
0.187 1380898.428 0.1865 -93839867.2288905
0.188 1293421.71 0.1875 -87476718.4648213
0.189 1211848.077 0.1885 -81573632.9985817
0.19 1135752.843 0.1895 -76095233.9188079
0.191 1064743.815 0.1905 -71009027.9340168
0.192 998458.658 0.1915 -66285157.0530667
0.193 936562.4852 0.1925 -61896172.7851448
0.194 878745.6545 0.1935 -57816830.7148166
0.195 824721.751 0.1945 -54023903.5215775
0.196 774225.7403 0.1955 -50496010.7048905
0.197 727012.2768 0.1965 -47213463.4474335
0.198 682854.1536 0.1975 -44158123.2032316
0.199 641540.8809 0.1985 -41313272.7355935
0.2 602877.3824 0.1995 -38663498.453786
0.201 566682.7994 0.2005 -36194583.008911
0.202 532789.3922 0.2015 -33893407.2095285
0.203 501041.5318 0.2025 -31747860.4077898
0.204 471294.7732 0.2035 -29746758.5877948
0.205 443415.0037 0.2045 -27879769.4609438
0.206 417277.6598 0.2055 -26137343.9387627
0.207 392767.0064 0.2065 -24510653.4129217
0.208 369775.4741 0.2075 -22991532.3255884
0.209 348203.0485 0.2085 -21572425.5614482
0.21 327956.7083 0.2095 -20246340.2362101
0.211 308949.9068 0.2105 -19006801.4956937
0.212 291102.0948 0.2115 -17847811.9750814
0.213 274338.2802 0.2125 -16763814.5999858
0.214 258588.6218 0.2135 -15749658.4400004
0.215 243788.0544 0.2145 -14800567.3516313
0.216 229875.9432 0.2155 -13912111.1712743
0.217 216795.764 0.2165 -13080179.2404145
0.218 204494.8079 0.2175 -12300956.0647176
0.219 192923.909 0.2185 -11570898.9263429
0.22 182037.1917 0.2195 -10886717.2848571
0.221 171791.8379 0.2205 -10245353.8166384
0.222 162147.871 0.2215 -9643966.95587283
0.223 153067.9561 0.2225 -9079914.81223364
0.224 144517.2158 0.2235 -8550740.35120452
0.225 136463.0581 0.2245 -8054157.73292243
0.226 128875.0183 0.2255 -7588039.71439981
0.227 121724.6123 0.2265 -7150406.02818195
0.228 114985.1997 0.2275 -6739412.6579332
0.229 108631.8577 0.2285 -6353341.93823894
 0.23 102641.2643 0.2295 -5990593.41208149
0.231 96991.58892 0.2305 -5649675.38507848
0.232 91662.3918 0.2315 -5329197.12069927
0.233 86634.53017 0.2325 -5027861.62536373
0.234 81890.0712 0.2335 -4744458.97658704
0.235 77412.21105 0.2345 -4477860.15123358
0.236 73185.19973 0.2355 -4227011.31450294
0.237 69194.2712 0.2365 -3990928.53351486
0.238 65425.57832 0.2375 -3768692.8823363
0.239 61866.13241 0.2385 -3559445.9079975
0.24 58503.74698 0.2395 -3362385.42953595
0.241 55326.98533 0.2405 -3176761.64437156
0.242 52325.11181 0.2415 -3001873.51839278
0.243 49488.04638 0.2425 -2837065.43804126
0.244 46806.32227 0.2435 -2681724.10441761
0.245 44271.04662 0.2445 -2535275.65103287
0.246 41873.86365 0.2455 -2397182.96828598
0.247 39606.92043 0.2465 -2266943.21909479
0.248 37462.8349 0.2475 -2144085.53133533
0.249 35434.66605 0.2485 -2028168.85386854
0.25 33515.88608 0.2495 -1918779.96397697
0.251 31700.35447 0.2505 -1815531.61497686
0.252 29982.29366 0.2515 -1718060.81364872
0.253 28356.26644 0.2525 -1626027.21792894
0.254 26817.15479 0.2535 -1539111.64604639
0.255 25360.1401 0.2545 -1457014.68895825
0.256 23980.68468 0.2555 -1379455.41857061
0.257 22674.5145 0.2565 -1306170.18479794
0.258 21437.603 0.2575 -1236911.49504346
0.259 20266.15603 0.2585 -1171446.97017038
0.26 19156.59766 0.2595 -1109558.37147946
0.261 18105.55697 0.2605 -1051040.69362044
0.262 17109.85565 0.2615 -995701.318745551
0.263 16166.49642 0.2625 -943359.227562455
0.264 15272.65216 0.2635 -893844.263266777
0.265 14425.65572 0.2645 -846996.444631818
0.266 13622.99039 0.2655 -802665.324808411
0.267 12862.281 0.2665 -760709.392639879
0.268 12141.28548 0.2675 -720995.513532168
0.269 11457.88708 0.2685 -683398.407134873
0.27 10810.08692 0.2695 -647800.159287942
0.271 10195.99715 0.2705 -614089.765873706
0.272 9613.834446 0.2715 -582162.706384404
0.273 9061.9139 0.2725 -551920.545171857
0.274 8538.643342 0.2735 -523270.558493506
0.275 8042.517956 0.2745 -496125.38560153
0.276 7572.115254 0.2755 -470402.702248353
0.277 7126.090339 0.2765 -446024.915096205
0.278 6703.171463 0.2775 -422918.875625748
0.279 6302.155851 0.2785 -401015.612237363
0.28 5921.905772 0.2795 -380250.079330634
0.281 5561.34485 0.2805 -360560.922232724
0.282 5219.454593 0.2815 -341890.256924395
0.283 4895.271129 0.2825 -324183.463586067
0.284 4587.882136 0.2835 -307388.993053827
0.285 4296.423951 0.2845 -291458.185337965
0.286 4020.078851 0.2855 -276345.09941467
0.287 3758.072498 0.2865 -262006.353556754
0.288 3509.671522 0.2875 -248400.975517252
0.289 3274.18126 0.2885 -235490.261929213
0.29 3050.943614 0.2895 -223237.646325595
0.291 2839.335039 0.2905 -211608.575225166
0.292 2638.764647 0.2915 -200570.391767263
0.293 2448.672421 0.2925 -190092.226412381
0.294 2268.527526 0.2935 -180144.894258872
0.295 2097.826728 0.2945 -170700.798555287
0.296 1936.092888 0.2955 -161733.840016325
0.297 1782.873556 0.2965 -153219.331575929
0.298 1637.739638 0.2975 -145133.918235923
0.299 1500.284136 0.2985 -137455.501690246
0.3 1370.120967 0.2995 -130163.169426646
0.301 1246.883839 0.3005 -123237.128026709
0.302 1130.225198 0.3015 -116658.640403524
0.303 1019.815232 0.3025 -110409.966733113
0.304 915.3409228 0.3035 -104474.308851785
0.305 816.5051649 0.3045 -98835.7579059645
0.306 723.0259198 0.3055 -93479.2450551711
0.307 634.6354248 0.3065 -88390.4950413661
0.308 551.0794423 0.3075 -83555.9824498598
0.309 472.1165518 0.3085 -78962.8904983388
0.31 397.5174796 0.3095 -74599.0722007095
0.311 327.0644659 0.3105 -70453.0137623724
0.312 260.5506658 0.3115 -66513.8000724792
0.313 197.7795836 0.3125 -62771.082167321
0.314 138.5645371 0.3135 -59215.0465467786
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0.318 -66.1530791 0.3175 -46678.6225515069
0.319 -110.078679 0.3185 -43925.6003044475
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0.819 -8.64736353 0.818500000000001 63.4076732715431
0.82 -8.5844924 0.819500000000001 62.8711308390403
0.821 -8.52215265 0.820500000000001 62.3397520447976
0.822 -8.46033917 0.821500000000001 61.8134813468973
0.823 -8.3990469 0.822500000000001 61.2922638613557
0.824 -8.33827086 0.823500000000001 60.7760453536503
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0.83 -7.9841819 0.829500000000001 57.7807554619385
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0.848 -7.02240576 0.847500000000001 49.7561036114078
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0.85 -6.92411115 0.8495 48.9456335476692
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0.858 -6.54662412 0.8575 45.8507733662241
0.859 -6.50114429 0.858500000000001 45.4798346838831
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0.861 -6.41128381 0.860500000000001 44.7481711472663
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0.864 -6.27919085 0.863500000000001 43.6756881488396
0.865 -6.23586612 0.864500000000001 43.3247272499537
0.866 -6.19288914 0.865500000000001 42.9769773125841
0.867 -6.15025674 0.866500000000001 42.6324054509486
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0.869 -6.06601309 0.868500000000001 41.9526662658933
0.87 -6.02439566 0.869500000000001 41.6174350114655
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0.875 -5.82123127 0.874500000000001 39.9864155829119
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0.879 -5.66443096 0.878500000000001 38.7339565919573
0.88 -5.62600309 0.879500000000001 38.4278701863367
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0.882 -5.55005462 0.881500000000001 37.8239337294461
0.883 -5.51252859 0.882500000000001 37.5260284595953
0.884 -5.47529779 0.883500000000001 37.2307955277282
0.885 -5.43835959 0.884500000000001 36.9382080859646
0.886 -5.40171135 0.885500000000001 36.6482395843483
0.887 -5.36535048 0.886500000000001 36.3608637672667
0.888 -5.32927443 0.887500000000001 36.076054669861
0.889 -5.29348064 0.888500000000001 35.7937866145308
0.89 -5.25796661 0.889500000000001 35.5140342074431
0.891 -5.22272983 0.890500000000001 35.2367723351472
0.892 -5.18776786 0.891500000000001 34.9619761611466
0.893 -5.15307824 0.892500000000001 34.689621122606
0.894 -5.11865855 0.893500000000001 34.4196829270489
0.895 -5.08450642 0.894500000000001 34.1521375490723
0.896 -5.05061945 0.895500000000001 33.8869612272026
0.897 -5.01699532 0.896500000000001 33.6241304606792
0.898 -4.9836317 0.897500000000001 33.3636220063464
0.899 -4.95052629 0.898500000000001 33.1054128755994
0.9 -4.91767681 0.899500000000001 32.8494803312642
0.901 -4.88508101 0.900500000000001 32.5958018846997
0.902 -4.85273665 0.901500000000001 32.3443552927189
0.903 -4.82064153 0.902500000000001 32.0951185547589
0.904 -4.78879346 0.903500000000001 31.8480699099241
0.905 -4.75719028 0.904500000000001 31.6031878341762
0.906 -4.72582982 0.905500000000001 31.3604510374707
0.907 -4.69470999 0.906500000000001 31.1198384610431
0.908 -4.66382866 0.907500000000001 30.8813292746119
0.909 -4.63318375 0.908500000000001 30.6449028736795
0.91 -4.60277322 0.909500000000001 30.4105388768798
0.911 -4.572595 0.910500000000001 30.1782171233151
0.912 -4.54264708 0.911500000000001 29.9479176699595
0.913 -4.51292746 0.912500000000001 29.719620789085
0.914 -4.48343415 0.913500000000001 29.4933069657261
0.915 -4.4541652 0.914500000000001 29.2689568951676
0.916 -4.42511864 0.915500000000001 29.0465514804614
0.917 -4.39629257 0.916500000000001 28.8260718300108
0.918 -4.36768507 0.917500000000001 28.6074992551111
0.919 -4.33929426 0.918500000000001 28.3908152676098
0.92 -4.31111826 0.919500000000001 28.1760015775463
0.921 -4.28315522 0.920500000000001 27.9630400907908
0.922 -4.2554033 0.921500000000001 27.7519129068286
0.923 -4.2278607 0.922500000000001 27.5426023164078
0.924 -4.20052561 0.923500000000001 27.335090799375
0.925 -4.17339625 0.924500000000001 27.1293610224239
0.926 -4.14647085 0.925500000000001 26.9253958369519
0.927 -4.11974768 0.926500000000001 26.7231782768684
0.928 -4.09322498 0.927500000000001 26.5226915565097
0.929 -4.06690106 0.928500000000001 26.3239190685116
0.93 -4.04077422 0.929500000000001 26.1268443817597
0.931 -4.01484277 0.930500000000001 25.9314512393347
0.932 -3.98910505 0.931500000000001 25.7377235564764
0.933 -3.9635594 0.932500000000001 25.5456454186373
0.934 -3.9382042 0.933500000000001 25.3552010794617
0.935 -3.91303782 0.934500000000001 25.1663749588608
0.936 -3.88805867 0.935500000000001 24.9791516411073
0.937 -3.86326516 0.936500000000001 24.793515872922
0.938 -3.8386557 0.937500000000001 24.6094525615952
0.939 -3.81422876 0.938500000000001 24.4269467731697
0.94 -3.78998277 0.939500000000001 24.2459837305713
0.941 -3.76591622 0.940500000000001 24.0665488118385
0.942 -3.7420276 0.941500000000001 23.8886275483336
0.943 -3.71831539 0.942500000000001 23.7122056229832
0.944 -3.69477812 0.943500000000001 23.5372688685196
0.945 -3.67141432 0.944500000000001 23.3638032658168
0.946 -3.64822252 0.945500000000001 23.1917949421421
0.947 -3.62520129 0.946500000000001 23.0212301695145
0.948 -3.6023492 0.947500000000001 22.8520953630453
0.949 -3.57966482 0.948500000000001 22.6843770792979
 0.95 -3.55714676 0.949500000000001 22.5180620146989
0.951 -3.53479362 0.950500000000001 22.3531370039205
0.952 -3.51260403 0.951500000000001 22.1895890183163
0.953 -3.49057663 0.952500000000001 22.0274051643776
0.954 -3.46871006 0.953500000000001 21.8665726821934
0.955 -3.44700298 0.954500000000001 21.7070789439226
0.956 -3.42545407 0.955500000000001 21.548911452339
0.957 -3.40406201 0.956500000000001 21.3920578392921
0.958 -3.3828255 0.957500000000001 21.2365058643002
0.959 -3.36174326 0.958500000000001 21.0822434130904
0.96 -3.340814 0.959500000000001 20.929258496154
0.961 -3.32003646 0.960500000000001 20.7775392473883
0.962 -3.29940939 0.961500000000001 20.627073922645
0.963 -3.27893154 0.962500000000001 20.4778508984136
0.964 -3.25860168 0.963500000000001 20.3298586704306
0.965 -3.23841859 0.964500000000001 20.1830858523566
0.966 -3.21838107 0.965500000000001 20.0375211744461
0.967 -3.19848792 0.966500000000001 19.8931534822435
0.968 -3.17873794 0.967500000000001 19.7499717352869
0.969 -3.15912998 0.968500000000001 19.6079650058425
0.97 -3.13966286 0.969500000000001 19.4671224776317
0.971 -3.12033542 0.970500000000001 19.3274334446092
0.972 -3.10114654 0.971500000000001 19.1888873097019
0.973 -3.08209506 0.972500000000001 19.0514735836129
0.974 -3.06317988 0.973500000000001 18.9151818836319
0.975 -3.04439988 0.974500000000001 18.7800019324142
0.976 -3.02575396 0.975500000000001 18.6459235568574
0.977 -3.00724102 0.976500000000001 18.5129366869012
0.978 -2.98885999 0.977500000000001 18.381031354405
0.979 -2.97060979 0.978500000000001 18.2501976920202
0.98 -2.95248936 0.979500000000001 18.1204259320653
0.981 -2.93449766 0.980500000000001 17.9917064054336
0.982 -2.91663363 0.981500000000001 17.8640295404899
0.983 -2.89889624 0.982500000000001 17.737385862
0.984 -2.88128448 0.983500000000001 17.6117659900874
0.985 -2.86379732 0.984500000000001 17.4871606391456
0.986 -2.84643375 0.985500000000001 17.3635606168259
0.987 -2.8291928 0.986500000000001 17.2409568230143
0.988 -2.81207346 0.987500000000001 17.1193402487981
0.989 -2.79507476 0.988500000000001 16.9987019754742
0.99 -2.77819572 0.989500000000001 16.8790331735806
0.991 -2.7614354 0.990500000000001 16.7603251018673
0.992 -2.74479283 0.991500000000001 16.6425691064007
0.993 -2.72826707 0.992500000000001 16.5257566195329
0.994 -2.71185719 0.993500000000001 16.409879159025
0.995 -2.69556226 0.994500000000001 16.2949283270781
0.996 -2.67938137 0.995500000000001 16.1808958094123
0.997 -2.6633136 0.996500000000001 16.0677733743752
0.998 -2.64735804 0.997500000000001 15.9555528720299
0.999 -2.63151382 0.998500000000001 15.8442262332681
1 -2.61578003 0.999500000000001 15.7337854689321
 Lennard Jones Potenti al Curve For Water
3000000000

2500000000
(J/mol)

2000000000

1500000000
v ()r

1000000000
potential

500000000

0
0 0.2 0.4 0.6 0.8 1 1.2

-500000000

Intermolecular distance r (NM)

Zoomed View
500

300

100

0 0.2 0.4 0.6 0.8 1 1.2

100

300

500

700

900