# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CoW # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan 1.258201754e+03 1.258201754e+03 nan nan 0.80 nan nan nan nan 1.143203042e+03 1.143203042e+03 nan nan 0.82 nan nan nan nan 1.039881036e+03 1.039881036e+03 nan nan 0.84 nan nan nan nan 9.469504508e+02 9.469504508e+02 nan nan 0.86 nan nan nan nan 8.632765506e+02 8.632765506e+02 nan nan 0.88 nan nan nan nan 7.878527217e+02 7.878527217e+02 nan nan 0.90 1.503838539e+03 1.503838539e+03 nan nan 7.197871677e+02 7.197871677e+02 nan nan 0.92 1.384088848e+03 1.384088848e+03 nan nan 6.582903650e+02 6.582903650e+02 nan nan 0.94 1.274320388e+03 1.274320388e+03 nan nan 6.026634575e+02 6.026634575e+02 nan nan 0.96 1.173773718e+03 1.173773718e+03 nan nan 5.522877347e+02 5.522877347e+02 nan nan 0.98 1.081743562e+03 1.081743562e+03 1.836054314e+03 1.836054314e+03 5.066151750e+02 5.066151750e+02 nan nan 1.00 9.975361333e+02 9.975361333e+02 1.691632686e+03 1.691632686e+03 4.651600093e+02 4.651600093e+02 1.859873318e+03 1.859873318e+03 1.02 9.204068910e+02 9.204068910e+02 1.559280954e+03 1.559280954e+03 4.274385544e+02 4.274385544e+02 1.718348536e+03 1.718348536e+03 1.04 8.467325122e+02 8.467325122e+02 1.433988259e+03 1.433988259e+03 3.910706060e+02 3.910706060e+02 1.584017864e+03 1.584017864e+03 1.06 7.756013430e+02 7.756013430e+02 1.314363758e+03 1.314363758e+03 3.554971077e+02 3.554971077e+02 1.455513170e+03 1.455513170e+03 1.08 7.078965058e+02 7.078965058e+02 1.201415192e+03 1.201415192e+03 3.213624693e+02 3.213624693e+02 1.333932521e+03 1.333932521e+03 1.10 6.441597662e+02 6.441597662e+02 1.095701763e+03 1.095701763e+03 2.890861352e+02 2.890861352e+02 1.219900576e+03 1.219900576e+03 1.12 5.846840310e+02 5.846840310e+02 9.972838782e+02 9.972838782e+02 2.589213941e+02 2.589213941e+02 1.113697078e+03 1.113697078e+03 1.14 5.295791472e+02 5.295791472e+02 9.050895494e+02 9.050895494e+02 2.309974463e+02 2.309974463e+02 1.015349464e+03 1.015349464e+03 1.16 4.788226829e+02 4.788226829e+02 8.193106841e+02 8.193106841e+02 2.053521982e+02 2.053521982e+02 9.247045354e+02 9.247045354e+02 1.18 4.322988761e+02 4.322988761e+02 7.401476739e+02 7.401476739e+02 1.819576772e+02 1.819576772e+02 8.414835391e+02 8.414835391e+02 1.20 3.898283818e+02 3.898283818e+02 6.675688599e+02 6.675688599e+02 1.607396542e+02 1.607396542e+02 7.653242777e+02 7.653242777e+02 1.22 3.511908259e+02 3.511908259e+02 6.013819022e+02 6.013819022e+02 1.415926954e+02 1.415926954e+02 6.958130252e+02 6.958130252e+02 1.24 3.161417385e+02 3.161417385e+02 5.412876525e+02 5.412876525e+02 1.243916061e+02 1.243916061e+02 6.324817818e+02 6.324817818e+02 1.26 2.844251378e+02 2.844251378e+02 4.869204524e+02 4.869204524e+02 1.090000574e+02 1.090000574e+02 5.738966495e+02 5.738966495e+02 1.28 2.557827334e+02 2.557827334e+02 4.378779230e+02 4.378779230e+02 9.527699815e+01 9.527699815e+01 5.195580086e+02 5.195580086e+02 1.30 2.299605225e+02 2.299605225e+02 3.937426667e+02 3.937426667e+02 8.308134588e+01 8.308134588e+01 4.695123413e+02 4.695123413e+02 1.32 2.067133895e+02 2.067133895e+02 3.540977748e+02 3.540977748e+02 7.227533831e+01 7.227533831e+01 4.236862953e+02 4.236862953e+02 1.34 1.858081750e+02 1.858081750e+02 3.185376126e+02 3.185376126e+02 6.272685296e+01 6.272685296e+01 3.819239064e+02 3.819239064e+02 1.36 1.670255926e+02 1.670255926e+02 2.866750416e+02 2.866750416e+02 5.431093785e+01 5.431093785e+01 3.440147053e+02 3.440147053e+02 1.38 1.501612766e+02 1.501612766e+02 2.581459617e+02 2.581459617e+02 4.691073937e+01 4.691073937e+01 3.097149525e+02 3.097149525e+02 1.40 1.350261901e+02 1.350261901e+02 2.326118707e+02 2.326118707e+02 4.041797953e+01 4.041797953e+01 2.787634881e+02 2.787634881e+02 1.42 1.214465687e+02 1.214465687e+02 2.097609760e+02 2.097609760e+02 3.473309350e+01 3.473309350e+01 2.508933804e+02 2.508933804e+02 1.44 1.092635292e+02 1.092635292e+02 1.893082645e+02 1.893082645e+02 2.976512439e+01 2.976512439e+01 2.258403085e+02 2.258403085e+02 1.46 9.833245388e+01 9.833245388e+01 1.709948493e+02 1.709948493e+02 2.543145580e+01 2.543145580e+01 2.033484334e+02 2.033484334e+02 1.48 8.852222514e+01 8.852222514e+01 1.545868239e+02 1.545868239e+02 2.165742503e+01 2.165742503e+01 1.831743376e+02 1.831743376e+02 1.50 7.971436892e+01 7.971436892e+01 1.398738045e+02 1.398738045e+02 1.837586003e+01 1.837586003e+01 1.650895011e+02 1.650895011e+02 1.52 7.180215657e+01 7.180215657e+01 1.266672981e+02 1.266672981e+02 1.552657482e+01 1.552657482e+01 1.488816853e+02 1.488816853e+02 1.54 6.468969262e+01 6.468969262e+01 1.147989839e+02 1.147989839e+02 1.305584195e+01 1.305584195e+01 1.343554985e+02 1.343554985e+02 1.56 5.829101555e+01 5.829101555e+01 1.041189827e+02 1.041189827e+02 1.091586283e+01 1.091586283e+01 1.213323722e+02 1.213323722e+02 1.58 5.252922861e+01 5.252922861e+01 9.449416423e+01 9.449416423e+01 9.064248980e+00 9.064248980e+00 1.096501219e+02 1.096501219e+02 1.60 4.733566860e+01 4.733566860e+01 8.580652561e+01 8.580652561e+01 7.463520990e+00 7.463520990e+00 9.916222108e+01 9.916222108e+01 1.62 4.264911717e+01 4.264911717e+01 7.795166245e+01 7.795166245e+01 6.080633771e+00 6.080633771e+00 8.973689306e+01 8.973689306e+01 1.64 3.841504075e+01 3.841504075e+01 7.083734316e+01 7.083734316e+01 4.886530700e+00 4.886530700e+00 8.125609513e+01 8.125609513e+01 1.66 3.458490728e+01 3.458490728e+01 6.438219231e+01 6.438219231e+01 3.855728105e+00 3.855728105e+00 7.361445040e+01 7.361445040e+01 1.68 3.111557494e+01 3.111557494e+01 5.851448769e+01 5.851448769e+01 2.965932600e+00 2.965932600e+00 6.671817236e+01 6.671817236e+01 1.70 2.796873055e+01 2.796873055e+01 5.317106678e+01 5.317106678e+01 2.197689995e+00 2.197689995e+00 6.048400834e+01 6.048400834e+01 1.72 2.511037624e+01 2.511037624e+01 4.829633896e+01 4.829633896e+01 1.534065137e+00 1.534065137e+00 5.483822470e+01 5.483822470e+01 1.74 2.251036347e+01 2.251036347e+01 4.384139614e+01 4.384139614e+01 9.603502070e-01 9.603502070e-01 4.971564560e+01 4.971564560e+01 1.76 2.014197016e+01 2.014197016e+01 3.976321588e+01 3.976321588e+01 4.638011541e-01 4.638011541e-01 4.505875570e+01 4.505875570e+01 1.78 1.798151936e+01 1.798151936e+01 3.602391975e+01 3.602391975e+01 3.340033361e-02 3.340033361e-02 4.081687373e+01 4.081687373e+01 1.80 1.600803658e+01 1.600803658e+01 3.259008836e+01 3.259008836e+01 -3.403570331e-01 -3.403570331e-01 3.694539342e+01 3.694539342e+01 1.82 1.420294195e+01 1.420294195e+01 2.943221158e+01 2.943221158e+01 -6.656553414e-01 -6.656553414e-01 3.340509127e+01 3.340509127e+01 1.84 1.254977526e+01 1.254977526e+01 2.652421322e+01 2.652421322e+01 -9.495313537e-01 -9.495313537e-01 3.016150085e+01 3.016150085e+01 1.86 1.103395071e+01 1.103395071e+01 2.384303278e+01 2.384303278e+01 -1.198029333e+00 -1.198029333e+00 2.718434972e+01 2.718434972e+01 1.88 9.642538259e+00 9.642538259e+00 2.136825713e+01 2.136825713e+01 -1.416340067e+00 -1.416340067e+00 2.444705484e+01 2.444705484e+01 1.90 8.364069760e+00 8.364069760e+00 1.908179693e+01 1.908179693e+01 -1.608924256e+00 -1.608924256e+00 2.192627293e+01 2.192627293e+01 1.92 7.188366913e+00 7.188366913e+00 1.696760227e+01 1.696760227e+01 -1.779621043e+00 -1.779621043e+00 1.960150077e+01 1.960150077e+01 1.94 6.106388940e+00 6.106388940e+00 1.501141329e+01 1.501141329e+01 -1.931741633e+00 -1.931741633e+00 1.745472132e+01 1.745472132e+01 1.96 5.110098175e+00 5.110098175e+00 1.320054139e+01 1.320054139e+01 -2.068148000e+00 -2.068148000e+00 1.547008996e+01 1.547008996e+01 1.98 4.192341292e+00 4.192341292e+00 1.152366572e+01 1.152366572e+01 -2.191316813e+00 -2.191316813e+00 1.363364071e+01 1.363364071e+01 2.00 3.346744705e+00 3.346744705e+00 9.970626088e+00 9.970626088e+00 -2.303387663e+00 -2.303387663e+00 1.193302496e+01 1.193302496e+01 2.02 2.567622565e+00 2.567622565e+00 8.532271606e+00 8.532271606e+00 -2.406198444e+00 -2.406198444e+00 1.035730652e+01 1.035730652e+01 2.04 1.849895736e+00 1.849895736e+00 7.200347046e+00 7.200347046e+00 -2.501309338e+00 -2.501309338e+00 8.896782648e+00 8.896782648e+00 2.06 1.189020697e+00 1.189020697e+00 5.967393211e+00 5.967393211e+00 -2.590017686e+00 -2.590017686e+00 7.542829182e+00 7.542829182e+00 2.08 5.809270877e-01 5.809270877e-01 4.826658153e+00 4.826658153e+00 -2.673366902e+00 -2.673366902e+00 6.287765870e+00 6.287765870e+00 2.10 2.195836703e-02 2.195836703e-02 3.772013204e+00 3.772013204e+00 -2.752155752e+00 -2.752155752e+00 5.124733400e+00 5.124733400e+00 2.12 -4.912276715e-01 -4.912276715e-01 2.797818337e+00 2.797818337e+00 -2.826979413e+00 -2.826979413e+00 4.047525485e+00 4.047525485e+00 2.14 -9.617440660e-01 -9.617440660e-01 1.898804942e+00 1.898804942e+00 -2.898268164e+00 -2.898268164e+00 3.050445115e+00 3.050445115e+00 2.16 -1.392496477e+00 -1.392496477e+00 1.070043095e+00 1.070043095e+00 -2.966292490e+00 -2.966292490e+00 2.128247190e+00 2.128247190e+00 2.18 -1.786197385e+00 -1.786197385e+00 3.069193418e-01 3.069193418e-01 -3.031172359e+00 -3.031172359e+00 1.276095149e+00 1.276095149e+00 2.20 -2.145379290e+00 -2.145379290e+00 -3.948828025e-01 -3.948828025e-01 -3.092894698e+00 -3.092894698e+00 4.895139628e-01 4.895139628e-01 2.22 -2.472406954e+00 -2.472406954e+00 -1.039403420e+00 -1.039403420e+00 -3.151337820e+00 -3.151337820e+00 -2.356761526e-01 -2.356761526e-01 2.24 -2.769488777e+00 -2.769488777e+00 -1.630425151e+00 -1.630425151e+00 -3.206300843e+00 -3.206300843e+00 -9.033956643e-01 -9.033956643e-01 2.26 -3.038687377e+00 -3.038687377e+00 -2.171489968e+00 -2.171489968e+00 -3.257535647e+00 -3.257535647e+00 -1.517322659e+00 -1.517322659e+00 2.28 -3.281929413e+00 -3.281929413e+00 -2.665914792e+00 -2.665914792e+00 -3.304778736e+00 -3.304778736e+00 -2.080908229e+00 -2.080908229e+00 2.30 -3.501014720e+00 -3.501014720e+00 -3.116806049e+00 -3.116806049e+00 -3.347780494e+00 -3.347780494e+00 -2.597390958e+00 -2.597390958e+00 2.32 -3.697624814e+00 -3.697624814e+00 -3.527073248e+00 -3.527073248e+00 -3.386329733e+00 -3.386329733e+00 -3.069811681e+00 -3.069811681e+00 2.34 -3.873330795e+00 -3.873330795e+00 -3.899441646e+00 -3.899441646e+00 -3.420272072e+00 -3.420272072e+00 -3.501025089e+00 -3.501025089e+00 2.36 -4.029600701e+00 -4.029600701e+00 -4.236464056e+00 -4.236464056e+00 -3.449521371e+00 -3.449521371e+00 -3.893710342e+00 -3.893710342e+00 2.38 -4.167806362e+00 -4.167806362e+00 -4.540531861e+00 -4.540531861e+00 -3.474064262e+00 -3.474064262e+00 -4.250382055e+00 -4.250382055e+00 2.40 -4.289229769e+00 -4.289229769e+00 -4.813884265e+00 -4.813884265e+00 -3.493958411e+00 -3.493958411e+00 -4.573400571e+00 -4.573400571e+00 2.42 -4.395069017e+00 -4.395069017e+00 -5.058617733e+00 -5.058617733e+00 -3.509325689e+00 -3.509325689e+00 -4.864981539e+00 -4.864981539e+00 2.44 -4.486443833e+00 -4.486443833e+00 -5.276696610e+00 -5.276696610e+00 -3.520341709e+00 -3.520341709e+00 -5.127204287e+00 -5.127204287e+00 2.46 -4.564400728e+00 -4.564400728e+00 -5.469961568e+00 -5.469961568e+00 -3.527223271e+00 -3.527223271e+00 -5.362020439e+00 -5.362020439e+00 2.48 -4.629917803e+00 -4.629917803e+00 -5.640137380e+00 -5.640137380e+00 -3.530215157e+00 -3.530215157e+00 -5.571262398e+00 -5.571262398e+00 2.50 -4.683909225e+00 -4.683909225e+00 -5.788840184e+00 -5.788840184e+00 -3.529577479e+00 -3.529577479e+00 -5.756650699e+00 -5.756650699e+00 2.52 -4.727229397e+00 -4.727229397e+00 -5.917584284e+00 -5.917584284e+00 -3.525574474e+00 -3.525574474e+00 -5.919800857e+00 -5.919800857e+00 2.54 -4.760676857e+00 -4.760676857e+00 -6.027788505e+00 -6.027788505e+00 -3.518465295e+00 -3.518465295e+00 -6.062229783e+00 -6.062229783e+00 2.56 -4.784997907e+00 -4.784997907e+00 -6.120782148e+00 -6.120782148e+00 -3.508497042e+00 -3.508497042e+00 -6.185361796e+00 -6.185361796e+00 2.58 -4.800889997e+00 -4.800889997e+00 -6.197810559e+00 -6.197810559e+00 -3.495900018e+00 -3.495900018e+00 -6.290534250e+00 -6.290534250e+00 2.60 -4.809004895e+00 -4.809004895e+00 -6.260040348e+00 -6.260040348e+00 -3.480885000e+00 -3.480885000e+00 -6.379002814e+00 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