# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPt # 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 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan 7.530809407e+06 7.530809407e+06 7.518137090e+06 7.518137090e+06 nan nan 0.70 nan nan nan nan 6.732372952e+06 6.732372952e+06 6.721010442e+06 6.721010442e+06 nan nan 0.72 nan nan nan nan 6.022181617e+06 6.022181617e+06 6.011982470e+06 6.011982470e+06 nan nan 0.74 nan nan nan nan 5.388573943e+06 5.388573943e+06 5.379409926e+06 5.379409926e+06 nan nan 0.76 nan nan nan nan 4.821693905e+06 4.821693905e+06 4.813469727e+06 4.813469727e+06 nan nan 0.78 7.655128637e+06 7.655128637e+06 nan nan 4.313174578e+06 4.313174578e+06 4.305794335e+06 4.305794335e+06 nan nan 0.80 6.938670703e+06 6.938670703e+06 nan nan 3.855856154e+06 3.855856154e+06 3.849238565e+06 3.849238565e+06 nan nan 0.82 6.291952666e+06 6.291952666e+06 nan nan 3.443642265e+06 3.443642265e+06 3.437670692e+06 3.437670692e+06 nan nan 0.84 5.706844455e+06 5.706844455e+06 nan nan 3.071227137e+06 3.071227137e+06 3.065829535e+06 3.065829535e+06 nan nan 0.86 5.176302099e+06 5.176302099e+06 7.327230377e+06 7.327230377e+06 2.734028193e+06 2.734028193e+06 2.729165777e+06 2.729165777e+06 nan nan 0.88 4.694239779e+06 4.694239779e+06 6.694822477e+06 6.694822477e+06 2.428095726e+06 2.428095726e+06 2.423738335e+06 2.423738335e+06 7.155596941e+06 7.155596941e+06 0.90 4.255409121e+06 4.255409121e+06 6.118666884e+06 6.118666884e+06 2.150018008e+06 2.150018008e+06 2.146108552e+06 2.146108552e+06 6.548347055e+06 6.548347055e+06 0.92 3.855170095e+06 3.855170095e+06 5.592798110e+06 5.592798110e+06 1.896813001e+06 1.896813001e+06 1.893288427e+06 1.893288427e+06 5.993997447e+06 5.993997447e+06 0.94 3.489482554e+06 3.489482554e+06 5.111927778e+06 5.111927778e+06 1.665846276e+06 1.665846276e+06 1.662672134e+06 1.662672134e+06 5.487002825e+06 5.487002825e+06 0.96 3.154800855e+06 3.154800855e+06 4.671424474e+06 4.671424474e+06 1.454803026e+06 1.454803026e+06 1.451959730e+06 1.451959730e+06 5.022511372e+06 5.022511372e+06 0.98 2.847981222e+06 2.847981222e+06 4.267252213e+06 4.267252213e+06 1.261666050e+06 1.261666050e+06 1.259116783e+06 1.259116783e+06 4.596266540e+06 4.596266540e+06 1.00 2.566287623e+06 2.566287623e+06 3.895835430e+06 3.895835430e+06 1.084654414e+06 1.084654414e+06 1.082362403e+06 1.082362403e+06 4.204500331e+06 4.204500331e+06 1.02 2.307283555e+06 2.307283555e+06 3.554017607e+06 3.554017607e+06 9.221792660e+05 9.221792660e+05 9.201281348e+05 9.201281348e+05 3.843895667e+06 3.843895667e+06 1.04 2.068819636e+06 2.068819636e+06 3.238992776e+06 3.238992776e+06 7.728549665e+05 7.728549665e+05 7.710296992e+05 7.710296992e+05 3.511504504e+06 3.511504504e+06 1.06 1.848987552e+06 1.848987552e+06 2.948242765e+06 2.948242765e+06 6.354387825e+05 6.354387825e+05 6.338210812e+05 6.338210812e+05 3.204705082e+06 3.204705082e+06 1.08 1.646060954e+06 1.646060954e+06 2.679573580e+06 2.679573580e+06 5.113006783e+05 5.113006783e+05 5.099851091e+05 5.099851091e+05 2.921150272e+06 2.921150272e+06 1.10 1.458502096e+06 1.458502096e+06 2.431014193e+06 2.431014193e+06 4.061201568e+05 4.061201568e+05 4.050827895e+05 4.050827895e+05 2.658741641e+06 2.658741641e+06 1.12 1.284948254e+06 1.284948254e+06 2.200765368e+06 2.200765368e+06 3.162922676e+05 3.162922676e+05 3.154684510e+05 3.154684510e+05 2.415608093e+06 2.415608093e+06 1.14 1.124181231e+06 1.124181231e+06 1.987232739e+06 1.987232739e+06 2.404109783e+05 2.404109783e+05 2.397993440e+05 2.397993440e+05 2.190083916e+06 2.190083916e+06 1.16 9.751083331e+05 9.751083331e+05 1.788979254e+06 1.788979254e+06 1.825422649e+05 1.825422649e+05 1.821171350e+05 1.821171350e+05 1.980662347e+06 1.980662347e+06 1.18 8.367350152e+05 8.367350152e+05 1.604725655e+06 1.604725655e+06 1.388862297e+05 1.388862297e+05 1.385955537e+05 1.385955537e+05 1.785985716e+06 1.785985716e+06 1.20 7.081568865e+05 7.081568865e+05 1.433304244e+06 1.433304244e+06 1.058726784e+05 1.058726784e+05 1.056749973e+05 1.056749973e+05 1.604834217e+06 1.604834217e+06 1.22 5.885652939e+05 5.885652939e+05 1.273677675e+06 1.273677675e+06 8.085109161e+04 8.085109161e+04 8.071630298e+04 8.071630298e+04 1.436106624e+06 1.436106624e+06 1.24 4.800589695e+05 4.800589695e+05 1.124897631e+06 1.124897631e+06 6.184395842e+04 6.184395842e+04 6.175245392e+04 6.175245392e+04 1.278796433e+06 1.278796433e+06 1.26 3.866485390e+05 3.866485390e+05 9.861057333e+05 9.861057333e+05 4.737569292e+04 4.737569292e+04 4.731426129e+04 4.731426129e+04 1.132006377e+06 1.132006377e+06 1.28 3.055095587e+05 3.055095587e+05 8.565224097e+05 8.565224097e+05 3.634180228e+04 3.634180228e+04 3.630032332e+04 3.630032332e+04 9.949227517e+05 9.949227517e+05 1.30 2.373448772e+05 2.373448772e+05 7.354344702e+05 7.354344702e+05 2.791275447e+04 2.791275447e+04 2.788443733e+04 2.788443733e+04 8.668013236e+05 8.668013236e+05 1.32 1.845431084e+05 1.845431084e+05 6.221970530e+05 6.221970530e+05 2.146341257e+04 2.146341257e+04 2.144373016e+04 2.144373016e+04 7.469525660e+05 7.469525660e+05 1.34 1.436511810e+05 1.436511810e+05 5.163716953e+05 5.163716953e+05 1.652081408e+04 1.652081408e+04 1.650707115e+04 1.650707115e+04 6.347577756e+05 6.347577756e+05 1.36 1.119356562e+05 1.119356562e+05 4.223232751e+05 4.223232751e+05 1.272704364e+04 1.272704364e+04 1.271775674e+04 1.271775674e+04 5.296536977e+05 5.296536977e+05 1.38 8.730322120e+04 8.730322120e+04 3.402906442e+05 3.402906442e+05 9.811664600e+03 9.811664600e+03 9.805619295e+03 9.805619295e+03 4.336318900e+05 4.336318900e+05 1.40 6.814860939e+04 6.814860939e+04 2.691615411e+05 2.691615411e+05 7.569003504e+03 7.569003504e+03 7.565224839e+03 7.565224839e+03 3.498369585e+05 3.498369585e+05 1.42 5.323630023e+04 5.323630023e+04 2.124528200e+05 2.124528200e+05 5.842240096e+03 5.842240096e+03 5.839922006e+03 5.839922006e+03 2.773721179e+05 2.773721179e+05 1.44 4.161425281e+04 4.161425281e+04 1.678370739e+05 1.678370739e+05 4.511508053e+03 4.511508053e+03 4.510136631e+03 4.510136631e+03 2.195656493e+05 2.195656493e+05 1.46 3.254768514e+04 3.254768514e+04 1.326904239e+05 1.326904239e+05 3.485107416e+03 3.485107416e+03 3.484420367e+03 3.484420367e+03 1.739535549e+05 1.739535549e+05 1.48 2.546787460e+04 2.546787460e+04 1.049746596e+05 1.049746596e+05 2.692967413e+03 2.692967413e+03 2.692768725e+03 2.692768725e+03 1.379189041e+05 1.379189041e+05 1.50 1.993504833e+04 1.993504833e+04 8.309707958e+04 8.309707958e+04 2.081267614e+03 2.081267614e+03 2.081388742e+03 2.081388742e+03 1.094200976e+05 1.094200976e+05 1.52 1.560808377e+04 1.560808377e+04 6.581151260e+04 6.581151260e+04 1.608637190e+03 1.608637190e+03 1.608989664e+03 1.608989664e+03 8.685857804e+04 8.685857804e+04 1.54 1.222200601e+04 1.222200601e+04 5.214355625e+04 5.214355625e+04 1.243362625e+03 1.243362625e+03 1.243871421e+03 1.243871421e+03 6.898155591e+04 6.898155591e+04 1.56 9.570535282e+03 9.570535282e+03 4.132856006e+04 4.132856006e+04 9.610085129e+02 9.610085129e+02 9.615971022e+02 9.615971022e+02 5.480546219e+04 5.480546219e+04 1.58 7.493484146e+03 7.493484146e+03 3.276542351e+04 3.276542351e+04 7.427281420e+02 7.427281420e+02 7.433022124e+02 7.433022124e+02 4.355592844e+04 4.355592844e+04 1.60 5.866034751e+03 5.866034751e+03 2.598076222e+04 2.598076222e+04 5.739573021e+02 5.739573021e+02 5.744644811e+02 5.744644811e+02 3.462254562e+04 3.462254562e+04 1.62 4.590697150e+03 4.590697150e+03 2.060190760e+04 2.060190760e+04 4.434442979e+02 4.434442979e+02 4.438693124e+02 4.438693124e+02 2.752476362e+04 2.752476362e+04 1.64 3.591147061e+03 3.591147061e+03 1.633576295e+04 1.633576295e+04 3.425256198e+02 3.425256198e+02 3.428681851e+02 3.428681851e+02 2.188275442e+04 2.188275442e+04 1.66 2.807652381e+03 2.807652381e+03 1.295116252e+04 1.295116252e+04 2.645031853e+02 2.645031853e+02 2.647682948e+02 2.647682948e+02 1.739623886e+04 1.739623886e+04 1.68 2.193618443e+03 2.193618443e+03 1.026545969e+04 1.026545969e+04 2.041933897e+02 2.041933897e+02 2.043861127e+02 2.043861127e+02 1.382751631e+04 1.382751631e+04 1.70 1.712537433e+03 1.712537433e+03 8.134138280e+03 8.134138280e+03 1.575837411e+02 1.575837411e+02 1.577126890e+02 1.577126890e+02 1.098817830e+04 1.098817830e+04 1.72 1.335763987e+03 1.335763987e+03 6.442738604e+03 6.442738604e+03 1.215667959e+02 1.215667959e+02 1.216419644e+02 1.216419644e+02 8.728982648e+03 8.728982648e+03 1.74 1.040772264e+03 1.040772264e+03 5.100310440e+03 5.100310440e+03 9.372523310e+01 9.372523310e+01 9.375871281e+01 9.375871281e+01 6.931411162e+03 6.931411162e+03 1.76 8.099395136e+02 8.099395136e+02 4.034974049e+03 4.034974049e+03 7.220131722e+01 7.220131722e+01 7.220371313e+01 7.220371313e+01 5.501208323e+03 5.501208323e+03 1.78 6.294425037e+02 6.294425037e+02 3.189771609e+03 3.189771609e+03 5.556080581e+01 5.556080581e+01 5.554070293e+01 5.554070293e+01 4.363383931e+03 4.363383931e+03 1.80 4.884202753e+02 4.884202753e+02 2.519459608e+03 2.519459608e+03 4.269230323e+01 4.269230323e+01 4.265657241e+01 4.265657241e+01 3.458350133e+03 3.458350133e+03 1.82 3.783269008e+02 3.783269008e+02 1.988042351e+03 1.988042351e+03 3.273422632e+01 3.273422632e+01 3.268860663e+01 3.268860663e+01 2.738656483e+03 2.738656483e+03 1.84 2.924485672e+02 2.924485672e+02 1.566905763e+03 1.566905763e+03 2.501999489e+01 2.501999489e+01 2.496906379e+01 2.496906379e+01 2.166527740e+03 2.166527740e+03 1.86 2.255368739e+02 2.255368739e+02 1.233388878e+03 1.233388878e+03 1.903603924e+01 1.903603924e+01 1.898284339e+01 1.898284339e+01 1.711969241e+03 1.711969241e+03 1.88 1.734681413e+02 1.734681413e+02 9.694650765e+02 9.694650765e+02 1.438541504e+01 1.438541504e+01 1.433205661e+01 1.433205661e+01 1.351036670e+03 1.351036670e+03 1.90 1.330035987e+02 1.330035987e+02 7.607519527e+02 7.607519527e+02 1.076166126e+01 1.076166126e+01 1.070954967e+01 1.070954967e+01 1.064663850e+03 1.064663850e+03 1.92 1.016009756e+02 1.016009756e+02 5.958402169e+02 5.958402169e+02 7.928489594e+00 7.928489594e+00 7.878531303e+00 7.878531303e+00 8.376521780e+02 8.376521780e+02 1.94 7.726581153e+01 7.726581153e+01 4.656761421e+02 4.656761421e+02 5.704009393e+00 5.704009393e+00 5.656744404e+00 5.656744404e+00 6.578756733e+02 6.578756733e+02 1.96 5.843572851e+01 5.843572851e+01 3.630585233e+02 3.630585233e+02 3.948450913e+00 3.948450913e+00 3.904145074e+00 3.904145074e+00 5.156611091e+02 5.156611091e+02 1.98 4.388752821e+01 4.388752821e+01 2.822714287e+02 2.822714287e+02 2.554526239e+00 2.554526239e+00 2.513256989e+00 2.513256989e+00 4.032859751e+02 4.032859751e+02 2.00 3.266132960e+01 3.266132960e+01 2.187679894e+02 2.187679894e+02 1.440009597e+00 1.440009597e+00 1.401731491e+00 1.401731491e+00 3.145972158e+02 3.145972158e+02 2.02 2.400954102e+01 2.400954102e+01 1.689327021e+02 1.689327021e+02 5.419931561e-01 5.419931561e-01 5.065827275e-01 5.065827275e-01 2.446974136e+02 2.446974136e+02 2.04 1.735216640e+01 1.735216640e+01 1.298927091e+02 1.298927091e+02 -1.875712681e-01 -1.875712681e-01 -2.202837853e-01 -2.202837853e-01 1.896907980e+02 1.896907980e+02 2.06 1.223679213e+01 1.223679213e+01 9.936713659e+01 9.936713659e+01 -7.853275974e-01 -7.853275974e-01 -8.155337875e-01 -8.155337875e-01 1.464776499e+02 1.464776499e+02 2.08 8.311163493e+00 8.311163493e+00 7.554681048e+01 7.554681048e+01 -1.279189371e+00 -1.279189371e+00 -1.307093010e+00 -1.307093010e+00 1.125903045e+02 1.125903045e+02 2.10 5.301558957e+00 5.301558957e+00 5.699819150e+01 5.699819150e+01 -1.690405152e+00 -1.690405152e+00 -1.716189877e+00 -1.716189877e+00 8.606417141e+01 8.606417141e+01 2.12 2.995747665e+00 2.995747665e+00 4.258528674e+01 4.258528674e+01 -2.035132751e+00 -2.035132751e+00 -2.058961289e+00 -2.058961289e+00 6.534091991e+01 6.534091991e+01 2.14 1.229569305e+00 1.229569305e+00 3.141165876e+01 3.141165876e+01 -2.325673207e+00 -2.325673207e+00 -2.347700786e+00 -2.347700786e+00 4.918646905e+01 4.918646905e+01 2.16 -1.236239208e-01 -1.236239208e-01 2.277059307e+01 2.277059307e+01 -2.571433705e+00 -2.571433705e+00 -2.591805287e+00 -2.591805287e+00 3.662324717e+01 3.662324717e+01 2.18 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