# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1 # composition = CoNi3 # 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 2024-11-27 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 nan nan nan 0.92 nan nan nan 0.94 1.188837862e+04 nan nan 0.96 1.085909675e+04 nan nan 0.98 9.913233389e+03 nan nan 1.00 9.042799455e+03 nan nan 1.02 8.240500982e+03 nan nan 1.04 7.499861395e+03 1.119686846e+04 nan 1.06 6.815324436e+03 1.030159983e+04 1.165528939e+04 1.08 6.181915686e+03 9.472190243e+03 1.075137761e+04 1.10 5.595150220e+03 8.702927859e+03 9.912459065e+03 1.12 5.050971281e+03 7.988674347e+03 9.133002788e+03 1.14 4.545727460e+03 7.324813580e+03 8.408035823e+03 1.16 4.076121834e+03 6.707171144e+03 7.733116129e+03 1.18 3.639153654e+03 6.131932861e+03 7.104225756e+03 1.20 3.232101411e+03 5.595621160e+03 6.517704012e+03 1.22 2.852506518e+03 5.095122580e+03 5.970215160e+03 1.24 2.498136812e+03 4.627616853e+03 5.458703847e+03 1.26 2.166960226e+03 4.190527738e+03 4.980364687e+03 1.28 1.857137762e+03 3.781491675e+03 4.532642194e+03 1.30 1.567004357e+03 3.398346590e+03 4.113208698e+03 1.32 1.295045359e+03 3.039121813e+03 3.719927150e+03 1.34 1.039874296e+03 2.702019793e+03 3.350832148e+03 1.36 8.007112638e+02 2.385398849e+03 3.004109200e+03 1.38 5.979141587e+02 2.087756317e+03 2.678102616e+03 1.40 4.468515098e+02 1.807707808e+03 2.371318628e+03 1.42 3.343698619e+02 1.543974710e+03 2.082395778e+03 1.44 2.505059544e+02 1.295384957e+03 1.810085514e+03 1.46 1.878931737e+02 1.060874253e+03 1.553234982e+03 1.48 1.410811105e+02 8.395705891e+02 1.310779279e+03 1.50 1.060345865e+02 6.432703221e+02 1.081737265e+03 1.52 7.976383542e+01 4.921576976e+02 8.652060789e+02 1.54 6.004879461e+01 3.769145907e+02 6.690768064e+02 1.56 4.523513430e+01 2.889391874e+02 5.155198744e+02 1.58 3.408054496e+01 2.217024252e+02 3.975389373e+02 1.60 2.566410601e+01 1.702517923e+02 3.067894670e+02 1.62 1.929467224e+01 1.308332917e+02 2.369054719e+02 1.64 1.442391998e+01 1.005924576e+02 1.830299076e+02 1.66 1.067059970e+01 7.735792072e+01 1.414550744e+02 1.68 7.757223131e+00 5.947450422e+01 1.093445406e+02 1.70 5.478547044e+00 4.568570442e+01 8.452473989e+01 1.72 3.682831195e+00 3.503542043e+01 6.532818473e+01 1.74 2.257433643e+00 2.679641965e+01 5.047412192e+01 1.76 1.117619207e+00 2.041397637e+01 3.897711934e+01 1.78 1.978652242e-01 1.546337214e+01 3.007764313e+01 1.80 -5.546129853e-01 1.161926081e+01 2.318891330e+01 1.82 -1.180787128e+00 8.617747975e+00 1.783377654e+01 1.84 -1.709369979e+00 6.254152099e+00 1.363806230e+01 1.86 -2.160065355e+00 4.382551024e+00 1.033256847e+01 1.88 -2.546376548e+00 2.889560671e+00 7.713188628e+00 1.90 -2.877607919e+00 1.687849227e+00 5.625187344e+00 1.92 -3.161531838e+00 7.076235092e-01 3.945983231e+00 1.94 -3.404253513e+00 -1.047815543e-01 2.581024118e+00 1.96 -3.609901965e+00 -7.859819522e-01 1.462170412e+00 1.98 -3.782450254e+00 -1.362281865e+00 5.376357912e-01 2.00 -3.925600593e+00 -1.852859494e+00 -2.318711982e-01 2.02 -4.042854892e+00 -2.272124350e+00 -8.765311782e-01 2.04 -4.137556305e+00 -2.631167289e+00 -1.420006583e+00 2.06 -4.212815770e+00 -2.938634383e+00 -1.880860349e+00 2.08 -4.271629379e+00 -3.201454548e+00 -2.273727740e+00 2.10 -4.317116792e+00 -3.425381468e+00 -2.610253285e+00 2.12 -4.352517021e+00 -3.615401143e+00 -2.899873956e+00 2.14 -4.379987294e+00 -3.776083257e+00 -3.150526508e+00 2.16 -4.400327524e+00 -3.911667135e+00 -3.369239286e+00 2.18 -4.413588266e+00 -4.025873495e+00 -3.561934402e+00 2.20 -4.419830770e+00 -4.121863325e+00 -3.732548451e+00 2.22 -4.420283535e+00 -4.202234621e+00 -3.883408927e+00 2.24 -4.413966230e+00 -4.269043924e+00 -4.015864738e+00 2.26 -4.394076699e+00 -4.323860864e+00 -4.130817401e+00 2.28 -4.359675979e+00 -4.367857989e+00 -4.229146864e+00 2.30 -4.318232087e+00 -4.401932493e+00 -4.311901880e+00 2.32 -4.275508026e+00 -4.426851110e+00 -4.380176538e+00 2.34 -4.233592309e+00 -4.443400014e+00 -4.435089273e+00 2.36 -4.192084777e+00 -4.452445585e+00 -4.477793182e+00 2.38 -4.149632928e+00 -4.454910052e+00 -4.509467530e+00 2.40 -4.105514909e+00 -4.451947507e+00 -4.531303250e+00 2.42 -4.059711555e+00 -4.445455925e+00 -4.544490945e+00 2.44 -4.012649675e+00 -4.435152161e+00 -4.550187154e+00 2.46 -3.964942847e+00 -4.415567762e+00 -4.549483848e+00 2.48 -3.917086074e+00 -4.384271932e+00 -4.543823274e+00 2.50 -3.869286910e+00 -4.346421643e+00 -4.534495105e+00 2.52 -3.821403667e+00 -4.308056808e+00 -4.518680904e+00 2.54 -3.773036672e+00 -4.272411551e+00 -4.491498421e+00 2.56 -3.723780426e+00 -4.239919506e+00 -4.454118213e+00 2.58 -3.673346150e+00 -4.209079463e+00 -4.412040960e+00 2.60 -3.621616385e+00 -4.177961039e+00 -4.369027406e+00 2.62 -3.568655743e+00 -4.145118000e+00 -4.326344847e+00 2.64 -3.514675732e+00 -4.109621598e+00 -4.283507505e+00 2.66 -3.460032058e+00 -4.071005943e+00 -4.239138335e+00 2.68 -3.405265872e+00 -4.029201578e+00 -4.192197118e+00 2.70 -3.350939477e+00 -3.984396168e+00 -4.142377700e+00 2.72 -3.297402391e+00 -3.936954967e+00 -4.090001333e+00 2.74 -3.244802969e+00 -3.887384113e+00 -4.035869171e+00 2.76 -3.193152511e+00 -3.836273331e+00 -3.981138254e+00 2.78 -3.142378724e+00 -3.784216173e+00 -3.927156932e+00 2.80 -3.092353838e+00 -3.731708473e+00 -3.875211577e+00 2.82 -3.042887390e+00 -3.679043331e+00 -3.825925191e+00 2.84 -2.993767100e+00 -3.626383880e+00 -3.779305733e+00 2.86 -2.944814791e+00 -3.573897029e+00 -3.735086968e+00 2.88 -2.895902161e+00 -3.521747531e+00 -3.692837540e+00 2.90 -2.846955652e+00 -3.470082030e+00 -3.652029585e+00 2.92 -2.797955594e+00 -3.419020052e+00 -3.612093832e+00 2.94 -2.748931366e+00 -3.368652620e+00 -3.572464272e+00 2.96 -2.699954374e+00 -3.319047443e+00 -3.532615425e+00 2.98 -2.651130717e+00 -3.270245838e+00 -3.492095347e+00 3.00 -2.602595486e+00 -3.222254300e+00 -3.450557454e+00 3.02 -2.554508854e+00 -3.175046642e+00 -3.407790690e+00 3.04 -2.507035872e+00 -3.128560656e+00 -3.363710979e+00 3.06 -2.460317434e+00 -3.082697196e+00 -3.318327735e+00 3.08 -2.414455230e+00 -3.037333571e+00 -3.271729798e+00 3.10 -2.369501681e+00 -2.992341342e+00 -3.224071597e+00 3.12 -2.325454598e+00 -2.947605950e+00 -3.175557660e+00 3.14 -2.282257769e+00 -2.903046387e+00 -3.126426400e+00 3.16 -2.239808670e+00 -2.858624377e+00 -3.076933973e+00 3.18 -2.197974497e+00 -2.814317219e+00 -3.027338933e+00 3.20 -2.156617727e+00 -2.770103245e+00 -2.977888295e+00 3.22 -2.115631703e+00 -2.725963762e+00 -2.928805524e+00 3.24 -2.074958362e+00 -2.681885320e+00 -2.880280863e+00 3.26 -2.034558552e+00 -2.637861651e+00 -2.832464326e+00 3.28 -1.994405344e+00 -2.593895166e+00 -2.785461572e+00 3.30 -1.954485989e+00 -2.549997939e+00 -2.739332775e+00 3.32 -1.914800630e+00 -2.506192132e+00 -2.694094532e+00 3.34 -1.875356561e+00 -2.462509812e+00 -2.649724709e+00 3.36 -1.836161687e+00 -2.418992182e+00 -2.606170065e+00 3.38 -1.797226715e+00 -2.375688232e+00 -2.563356378e+00 3.40 -1.758566581e+00 -2.332652864e+00 -2.521200698e+00 3.42 -1.720200051e+00 -2.289944557e+00 -2.479624269e+00 3.44 -1.682148899e+00 -2.247622679e+00 -2.438561238e+00 3.46 -1.644436609e+00 -2.205744561e+00 -2.397966546e+00 3.48 -1.607086590e+00 -2.164362479e+00 -2.357823987e+00 3.50 -1.570121747e+00 -2.123520719e+00 -2.318137584e+00 3.52 -1.533565993e+00 -2.083252926e+00 -2.278909777e+00 3.54 -1.497444212e+00 -2.043579950e+00 -2.240137655e+00 3.56 -1.461781824e+00 -2.004508445e+00 -2.201813167e+00 3.58 -1.426604305e+00 -1.966030483e+00 -2.163923584e+00 3.60 -1.391936691e+00 -1.928124491e+00 -2.126452160e+00 3.62 -1.357803056e+00 -1.890757829e+00 -2.089378920e+00 3.64 -1.324225989e+00 -1.853891347e+00 -2.052681559e+00 3.66 -1.291226061e+00 -1.817486309e+00 -2.016336381e+00 3.68 -1.258821308e+00 -1.781514055e+00 -1.980319247e+00 3.70 -1.227026731e+00 -1.745964370e+00 -1.944606514e+00 3.72 -1.195853832e+00 -1.710834839e+00 -1.909175902e+00 3.74 -1.165310189e+00 -1.676122040e+00 -1.874007296e+00 3.76 -1.135399088e+00 -1.641821187e+00 -1.839083433e+00 3.78 -1.106119231e+00 -1.607926134e+00 -1.804390475e+00 3.80 -1.077464529e+00 -1.574429412e+00 -1.769918444e+00 3.82 -1.049423987e+00 -1.541322297e+00 -1.735661506e+00 3.84 -1.021981720e+00 -1.508594925e+00 -1.701618106e+00 3.86 -9.951170912e-01 -1.476236453e+00 -1.667790952e+00 3.88 -9.688050114e-01 -1.444235279e+00 -1.634186838e+00 3.90 -9.430164040e-01 -1.412579324e+00 -1.600816329e+00 3.92 -9.177188596e-01 -1.381256400e+00 -1.567693300e+00 3.94 -8.928778885e-01 -1.350254653e+00 -1.534834362e+00 3.96 -8.684611938e-01 -1.319563107e+00 -1.502258182e+00 3.98 -8.444408009e-01 -1.289172316e+00 -1.469984718e+00 4.00 -8.207914603e-01 -1.259075129e+00 -1.438034402e+00 4.02 -7.974892832e-01 -1.229267589e+00 -1.406427303e+00 4.04 -7.745109094e-01 -1.199749976e+00 -1.375182297e+00 4.06 -7.518331793e-01 -1.170528000e+00 -1.344316288e+00 4.08 -7.294332731e-01 -1.141614168e+00 -1.313843522e+00 4.10 -7.072892682e-01 -1.113029330e+00 -1.283775047e+00 4.12 -6.853811868e-01 -1.084804428e+00 -1.254118354e+00 4.14 -6.636923164e-01 -1.056982451e+00 -1.224877277e+00 4.16 -6.422110578e-01 -1.029620622e+00 -1.196052194e+00 4.18 -6.209329939e-01 -1.002789262e+00 -1.167640598e+00 4.20 -5.998633670e-01 -9.765493187e-01 -1.139638109e+00 4.22 -5.790199050e-01 -9.509383437e-01 -1.112039993e+00 4.24 -5.584359335e-01 -9.259737519e-01 -1.084843274e+00 4.26 -5.381638120e-01 -9.016566447e-01 -1.058049251e+00 4.28 -5.182786841e-01 -8.779751758e-01 -1.031662396e+00 4.30 -4.988824835e-01 -8.549074931e-01 -1.005686146e+00 4.32 -4.800965087e-01 -8.324242924e-01 -9.801221183e-01 4.34 -4.620149680e-01 -8.104910158e-01 -9.549699777e-01 4.36 -4.446891333e-01 -7.890697245e-01 -9.302273263e-01 4.38 -4.281357057e-01 -7.681206785e-01 -9.058896329e-01 4.40 -4.123444915e-01 -7.476036543e-01 -8.819502053e-01 4.42 -3.972861104e-01 -7.274790349e-01 -8.584002050e-01 4.44 -3.829176246e-01 -7.077086761e-01 -8.352287184e-01 4.46 -3.691861734e-01 -6.882566320e-01 -8.124228873e-01 4.48 -3.560373309e-01 -6.690896783e-01 -7.899681033e-01 4.50 -3.434105368e-01 -6.501777751e-01 -7.678482744e-01 4.52 -3.312546907e-01 -6.314943838e-01 -7.460461716e-01 4.54 -3.195100294e-01 -6.130167166e-01 -7.245438702e-01 4.56 -3.081344789e-01 -5.947259581e-01 -7.033232590e-01 4.58 -2.970780690e-01 -5.766074489e-01 -6.823666921e-01 4.60 -2.862227303e-01 -5.586508597e-01 -6.616576964e-01 4.62 -2.756837754e-01 -5.408503832e-01 -6.411818668e-01 4.64 -2.655540504e-01 -5.232049615e-01 -6.209278079e-01 4.66 -2.559111191e-01 -5.057185748e-01 -6.008882594e-01 4.68 -2.466009124e-01 -4.884006493e-01 -5.810613686e-01 4.70 -2.372991826e-01 -4.712665161e-01 -5.614520908e-01 4.72 -2.277571067e-01 -4.543377895e-01 -5.420737583e-01 4.74 -2.178139966e-01 -4.376431342e-01 -5.229498231e-01 4.76 -2.076764797e-01 -4.212197558e-01 -5.041157787e-01 4.78 -1.975520482e-01 -4.051130886e-01 -4.856212629e-01 4.80 -1.877579193e-01 -3.893788260e-01 -4.675323539e-01 4.82 -1.785801165e-01 -3.740836373e-01 -4.499318538e-01 4.84 -1.701589677e-01 -3.592868156e-01 -4.328975019e-01 4.86 -1.621438032e-01 -3.450324618e-01 -4.164807435e-01 4.88 -1.542652210e-01 -3.313414976e-01 -4.007088182e-01 4.90 -1.463564355e-01 -3.182257872e-01 -3.855902965e-01 4.92 -1.383309318e-01 -3.056798513e-01 -3.711165553e-01 4.94 -1.301604290e-01 -2.936857484e-01 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