# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--LAMMPS--ipr1 # composition = Co3Cr # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 5.472051222e+02 nan nan 0.92 4.939436913e+02 nan nan 0.94 4.444279387e+02 nan nan 0.96 3.989077917e+02 nan nan 0.98 3.574256740e+02 5.159071332e+02 nan 1.00 3.198834512e+02 4.724793860e+02 nan 1.02 2.860918101e+02 4.323461896e+02 4.915705135e+02 1.04 2.558062893e+02 3.954088408e+02 4.540227515e+02 1.06 2.286578499e+02 3.612711775e+02 4.189746185e+02 1.08 2.039224743e+02 3.285917256e+02 3.844722140e+02 1.10 1.814643197e+02 2.975766596e+02 3.509163529e+02 1.12 1.611910743e+02 2.685135771e+02 3.188492792e+02 1.14 1.429750384e+02 2.415531675e+02 2.886172155e+02 1.16 1.266683424e+02 2.167461487e+02 2.604188029e+02 1.18 1.121139610e+02 1.940719122e+02 2.343433305e+02 1.20 9.915347200e+01 1.734604576e+02 2.104005416e+02 1.22 8.763236915e+01 1.548090588e+02 1.885437350e+02 1.24 7.740354614e+01 1.379947890e+02 1.686875202e+02 1.26 6.832943499e+01 1.228838354e+02 1.507213668e+02 1.28 6.028316459e+01 1.093383102e+02 1.345198224e+02 1.30 5.314901558e+01 9.722112959e+01 1.199501165e+02 1.32 4.682238734e+01 8.639941385e+01 1.068777241e+02 1.34 4.120943073e+01 7.674675623e+01 9.517034032e+01 1.36 3.622646857e+01 6.814464258e+01 8.470063276e+01 1.38 3.179928725e+01 6.048323550e+01 7.534805566e+01 1.40 2.786236460e+01 5.366169292e+01 6.699995610e+01 1.42 2.435807714e+01 4.758814376e+01 5.955215155e+01 1.44 2.123591626e+01 4.217942604e+01 5.290911615e+01 1.46 1.845164090e+01 3.736068269e+01 4.698388562e+01 1.48 1.596633982e+01 3.306485881e+01 4.169776398e+01 1.50 1.374578032e+01 2.923214156e+01 3.697990700e+01 1.52 1.175989033e+01 2.580937620e+01 3.276682777e+01 1.54 9.982286733e+00 2.274947901e+01 2.900185576e+01 1.56 8.389848295e+00 2.001086449e+01 2.563457909e+01 1.58 6.962331748e+00 1.755689858e+01 2.262028986e+01 1.60 5.682027457e+00 1.535538312e+01 1.991944387e+01 1.62 4.533452517e+00 1.337806321e+01 1.749712864e+01 1.64 3.503077690e+00 1.160008304e+01 1.532244450e+01 1.66 2.579082364e+00 9.999526355e+00 1.336798116e+01 1.68 1.751058597e+00 8.557083082e+00 1.160944713e+01 1.70 1.009681417e+00 7.255753811e+00 1.002533757e+01 1.72 3.465624190e-01 6.080584107e+00 8.596632068e+00 1.74 -2.458444763e-01 5.018426616e+00 7.306521485e+00 1.76 -7.743282444e-01 4.057714294e+00 6.140161301e+00 1.78 -1.244997657e+00 3.188237669e+00 5.084450136e+00 1.80 -1.663366184e+00 2.400941493e+00 4.127831452e+00 1.82 -2.034693166e+00 1.687783136e+00 3.260116191e+00 1.84 -2.363926171e+00 1.041619499e+00 2.472324956e+00 1.86 -2.655445829e+00 4.561060765e-01 1.756547421e+00 1.88 -2.913121603e+00 -7.439305820e-02 1.105817237e+00 1.90 -3.140371927e+00 -5.548851732e-01 5.140012269e-01 1.92 -3.340217455e+00 -9.898199942e-01 -2.429895778e-02 1.94 -3.515328154e+00 -1.383152885e+00 -5.138339698e-01 1.96 -3.668064897e+00 -1.738400874e+00 -9.587837856e-01 1.98 -3.800516242e+00 -2.058692462e+00 -1.362825975e+00 2.00 -3.914530910e+00 -2.346811756e+00 -1.729195977e+00 2.02 -4.011746457e+00 -2.605288380e+00 -2.060807257e+00 2.04 -4.093617221e+00 -2.836587511e+00 -2.360504274e+00 2.06 -4.161452340e+00 -3.042983107e+00 -2.630904557e+00 2.08 -4.216440114e+00 -3.226546136e+00 -2.874387643e+00 2.10 -4.259664386e+00 -3.389165708e+00 -3.093121076e+00 2.12 -4.292116344e+00 -3.532566334e+00 -3.289081134e+00 2.14 -4.314703717e+00 -3.658323494e+00 -3.464071480e+00 2.16 -4.328258972e+00 -3.767877679e+00 -3.619739945e+00 2.18 -4.333546617e+00 -3.862546842e+00 -3.757593598e+00 2.20 -4.331269704e+00 -3.943536455e+00 -3.879012322e+00 2.22 -4.322075638e+00 -4.011950955e+00 -3.985261009e+00 2.24 -4.306561356e+00 -4.068803922e+00 -4.077500529e+00 2.26 -4.285277945e+00 -4.115026387e+00 -4.156797601e+00 2.28 -4.258734782e+00 -4.151474327e+00 -4.224133665e+00 2.30 -4.227403221e+00 -4.178935427e+00 -4.280412860e+00 2.32 -4.191719904e+00 -4.198135187e+00 -4.326469210e+00 2.34 -4.152089723e+00 -4.209742439e+00 -4.363073079e+00 2.36 -4.108888472e+00 -4.214374332e+00 -4.390936979e+00 2.38 -4.062465239e+00 -4.212600835e+00 -4.410720799e+00 2.40 -4.013144547e+00 -4.204948807e+00 -4.423036513e+00 2.42 -3.961228284e+00 -4.191905682e+00 -4.428452407e+00 2.44 -3.906997451e+00 -4.173922803e+00 -4.427496898e+00 2.46 -3.850713729e+00 -4.151418433e+00 -4.420661961e+00 2.48 -3.792620907e+00 -4.124780491e+00 -4.408406226e+00 2.50 -3.732946169e+00 -4.094369028e+00 -4.391157760e+00 2.52 -3.671901121e+00 -4.060518069e+00 -4.369315983e+00 2.54 -3.609682463e+00 -4.023536626e+00 -4.343252386e+00 2.56 -3.546473501e+00 -3.983711966e+00 -4.313314710e+00 2.58 -3.482445171e+00 -3.941311682e+00 -4.279829374e+00 2.60 -3.417756839e+00 -3.896585172e+00 -4.243103064e+00 2.62 -3.352557023e+00 -3.849764988e+00 -4.203424179e+00 2.64 -3.286984059e+00 -3.801068066e+00 -4.161064129e+00 2.66 -3.221166726e+00 -3.750696844e+00 -4.116278523e+00 2.68 -3.155224806e+00 -3.698840288e+00 -4.069308231e+00 2.70 -3.089269619e+00 -3.645674831e+00 -4.020380362e+00 2.72 -3.023404512e+00 -3.591365222e+00 -3.969709138e+00 2.74 -2.957725321e+00 -3.536065322e+00 -3.917496703e+00 2.76 -2.892320797e+00 -3.479918814e+00 -3.863933844e+00 2.78 -2.827273013e+00 -3.423059872e+00 -3.809200656e+00 2.80 -2.762657739e+00 -3.365613766e+00 -3.753467149e+00 2.82 -2.698544803e+00 -3.307697425e+00 -3.696893795e+00 2.84 -2.634998422e+00 -3.249419954e+00 -3.639632035e+00 2.86 -2.572077525e+00 -3.190883115e+00 -3.581824732e+00 2.88 -2.509836049e+00 -3.132181768e+00 -3.523606595e+00 2.90 -2.448323225e+00 -3.073404286e+00 -3.465104558e+00 2.92 -2.387583845e+00 -3.014632937e+00 -3.406438130e+00 2.94 -2.327658519e+00 -2.955944240e+00 -3.347719714e+00 2.96 -2.268583914e+00 -2.897409302e+00 -3.289054896e+00 2.98 -2.210392986e+00 -2.839094123e+00 -3.230542704e+00 3.00 -2.153115200e+00 -2.781059894e+00 -3.172275856e+00 3.02 -2.096776734e+00 -2.723363265e+00 -3.114340965e+00 3.04 -2.041400679e+00 -2.666056604e+00 -3.056818740e+00 3.06 -1.987007229e+00 -2.609188235e+00 -2.999784155e+00 3.08 -1.933613860e+00 -2.552802666e+00 -2.943306606e+00 3.10 -1.881235500e+00 -2.496940800e+00 -2.887450042e+00 3.12 -1.829884695e+00 -2.441640137e+00 -2.832273087e+00 3.14 -1.779571766e+00 -2.386934961e+00 -2.777829141e+00 3.16 -1.730304953e+00 -2.332856517e+00 -2.724166467e+00 3.18 -1.682090559e+00 -2.279433182e+00 -2.671328262e+00 3.20 -1.634933085e+00 -2.226690624e+00 -2.619352721e+00 3.22 -1.588835357e+00 -2.174651950e+00 -2.568273085e+00 3.24 -1.543798646e+00 -2.123337849e+00 -2.518117681e+00 3.26 -1.499822787e+00 -2.072766731e+00 -2.468909957e+00 3.28 -1.456906281e+00 -2.022954850e+00 -2.420668506e+00 3.30 -1.415046405e+00 -1.973916432e+00 -2.373407097e+00 3.32 -1.374239303e+00 -1.925663786e+00 -2.327134690e+00 3.34 -1.334480081e+00 -1.878207420e+00 -2.281855465e+00 3.36 -1.295762889e+00 -1.831556143e+00 -2.237568847e+00 3.38 -1.258081000e+00 -1.785717168e+00 -2.194269539e+00 3.40 -1.221426888e+00 -1.740696205e+00 -2.151947562e+00 3.42 -1.185792290e+00 -1.696497557e+00 -2.110588309e+00 3.44 -1.151168274e+00 -1.653124205e+00 -2.070172615e+00 3.46 -1.117545295e+00 -1.610577890e+00 -2.030676847e+00 3.48 -1.084913249e+00 -1.568859193e+00 -1.992052199e+00 3.50 -1.053261523e+00 -1.527967611e+00 -1.953678734e+00 3.52 -1.022579039e+00 -1.487901628e+00 -1.913453454e+00 3.54 -9.928542953e-01 -1.448658779e+00 -1.873815735e+00 3.56 -9.640754095e-01 -1.410235720e+00 -1.838197773e+00 3.58 -9.362301517e-01 -1.372628285e+00 -1.803350654e+00 3.60 -9.093059799e-01 -1.335831542e+00 -1.769229474e+00 3.62 -8.832900720e-01 -1.299839849e+00 -1.735787052e+00 3.64 -8.581693555e-01 -1.264646906e+00 -1.702974603e+00 3.66 -8.339305348e-01 -1.230245800e+00 -1.670742525e+00 3.68 -8.105601151e-01 -1.196629051e+00 -1.639041308e+00 3.70 -7.880444226e-01 -1.163788659e+00 -1.607822545e+00 3.72 -7.663696200e-01 -1.131716138e+00 -1.577040014e+00 3.74 -7.455217161e-01 -1.100402563e+00 -1.546650794e+00 3.76 -7.254865676e-01 -1.069838599e+00 -1.516616349e+00 3.78 -7.062498736e-01 -1.040014543e+00 -1.486903520e+00 3.80 -6.877971590e-01 -1.010920355e+00 -1.457485336e+00 3.82 -6.701137478e-01 -9.825456940e-01 -1.428341603e+00 3.84 -6.531847238e-01 -9.548799470e-01 -1.399459184e+00 3.86 -6.369948775e-01 -9.279122639e-01 -1.370831973e+00 3.88 -6.215286389e-01 -9.016315869e-01 -1.342460532e+00 3.90 -6.067699953e-01 -8.760266807e-01 -1.314351425e+00 3.92 -5.927023932e-01 -8.510861617e-01 -1.286516311e+00 3.94 -5.793086234e-01 -8.267985263e-01 -1.258970851e+00 3.96 -5.665706916e-01 -8.031521781e-01 -1.231733520e+00 3.98 -5.544696721e-01 -7.801354529e-01 -1.204824415e+00 4.00 -5.429855485e-01 -7.577366438e-01 -1.178264130e+00 4.02 -5.365725762e-01 -7.359440228e-01 -1.152072763e+00 4.04 -5.969542099e-01 -7.147458622e-01 -1.126269104e+00 4.06 -5.964618745e-01 -6.941304528e-01 -1.100870030e+00 4.08 -5.103675654e-01 -6.740861212e-01 -1.075890100e+00 4.10 -4.937857664e-01 -6.546012440e-01 -1.051341351e+00 4.12 -4.798244885e-01 -6.356642610e-01 -1.027233261e+00 4.14 -4.662494026e-01 -6.172636861e-01 -1.003572843e+00 4.16 -4.530516130e-01 -5.993881163e-01 -9.803648411e-01 4.18 -4.402223188e-01 -5.820262394e-01 -9.576119812e-01 4.20 -4.277528199e-01 -5.651668401e-01 -9.353152515e-01 4.22 -4.156345226e-01 -5.487988046e-01 -9.134741829e-01 4.24 -4.038589449e-01 -5.329111251e-01 -8.920871109e-01 4.26 -3.924177201e-01 -5.174446813e-01 -8.711514065e-01 4.28 -3.813026010e-01 -5.013871750e-01 -8.506636719e-01 4.30 -3.705054630e-01 -4.815168034e-01 -8.306198977e-01 4.32 -3.600183066e-01 -4.547841050e-01 -8.110155877e-01 4.34 -3.498332597e-01 -4.369933770e-01 -7.918458531e-01 4.36 -3.399425801e-01 -4.240857432e-01 -7.731054841e-01 4.38 -3.303386565e-01 -4.115540785e-01 -7.547890041e-01 4.40 -3.207643320e-01 -3.993895382e-01 -7.368907102e-01 4.42 -3.068418010e-01 -3.875833776e-01 -7.194047058e-01 4.44 -2.772861691e-01 -3.761269559e-01 -7.023249274e-01 4.46 -2.264909982e-01 -3.650117401e-01 -6.856451672e-01 4.48 -2.013314695e-01 -3.542293093e-01 -6.693590945e-01 4.50 -1.966439849e-01 -3.437713587e-01 -6.534602746e-01 4.52 -1.920717308e-01 -3.336297042e-01 -6.379421876e-01 4.54 -1.876121162e-01 -3.237962863e-01 -6.227982462e-01 4.56 -1.832625930e-01 -3.142631744e-01 -6.080218122e-01 4.58 -1.790206566e-01 -3.050225711e-01 -5.936062136e-01 4.60 -1.748838470e-01 -2.960668157e-01 -5.795447590e-01 4.62 -1.708497494e-01 -2.873883879e-01 -5.658307529e-01 4.64 -1.669159952e-01 -2.789799104e-01 -5.524575086e-01 4.66 -1.630802621e-01 -2.708341516e-01 -5.394183605e-01 4.68 -1.593402749e-01 -2.629440275e-01 -5.267066753e-01 4.70 -1.556938056e-01 -2.553026031e-01 -5.143158618e-01 4.72 -1.521386730e-01 -2.479030929e-01 -5.022393791e-01 4.74 -1.486727431e-01 -2.407388611e-01 -4.904707446e-01 4.76 -1.452939284e-01 -2.338034213e-01 -4.790035396e-01 4.78 -1.420001871e-01 -2.270904349e-01 -4.678314146e-01 4.80 -1.387895230e-01 -2.205937104e-01 -4.569480934e-01 4.82 -1.356599840e-01 -2.143072008e-01 -4.463473762e-01 4.84 -1.326096616e-01 -2.082250015e-01 -4.360231415e-01 4.86 -1.296366895e-01 -2.023413473e-01 -4.259693484e-01 4.88 -1.267392428e-01 -1.966506103e-01 -4.161800370e-01 4.90 -1.239155366e-01 -1.911472959e-01 -4.066493294e-01 4.92 -1.208816079e-01 -1.854017458e-01 -3.965673981e-01 4.94 -1.140723566e-01 -1.740964840e-01 -3.757088939e-01 4.96 -9.434061619e-02 -1.436919748e-01 -3.165975632e-01 4.98 -5.064531534e-02 -7.752978765e-02 -1.786547566e-01 5.00 -3.207677243e-23 -7.230070413e-23 -7.663092800e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 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