# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CrNi # 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 2022-05-24 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 nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan -3.445492427e+02 -3.445492427e+02 nan nan 0.84 nan nan nan nan -3.183837686e+02 -3.183837686e+02 nan nan 0.86 nan nan nan nan -2.939432259e+02 -2.939432259e+02 nan nan 0.88 nan nan nan nan -2.710730218e+02 -2.710730218e+02 nan nan 0.90 nan nan nan nan -2.494938239e+02 -2.494938239e+02 nan nan 0.92 -3.794816278e+02 -3.794816278e+02 nan nan -2.291565981e+02 -2.291565981e+02 nan nan 0.94 -3.547061911e+02 -3.547061911e+02 nan nan -2.099976737e+02 -2.099976737e+02 nan nan 0.96 -3.316036515e+02 -3.316036515e+02 nan nan -1.918866647e+02 -1.918866647e+02 nan nan 0.98 -3.102852013e+02 -3.102852013e+02 nan nan -1.748965729e+02 -1.748965729e+02 nan nan 1.00 -2.906689811e+02 -2.906689811e+02 nan nan -1.590768560e+02 -1.590768560e+02 nan nan 1.02 -2.725554914e+02 -2.725554914e+02 nan nan -1.443541722e+02 -1.443541722e+02 nan nan 1.04 -2.556925929e+02 -2.556925929e+02 -3.374683759e+02 -3.374683759e+02 -1.307930832e+02 -1.307930832e+02 -3.561627802e+02 -3.561627802e+02 1.06 -2.400014783e+02 -2.400014783e+02 -3.178198177e+02 -3.178198177e+02 -1.184066365e+02 -1.184066365e+02 -3.355314705e+02 -3.355314705e+02 1.08 -2.253840526e+02 -2.253840526e+02 -2.997113760e+02 -2.997113760e+02 -1.072676915e+02 -1.072676915e+02 -3.162872225e+02 -3.162872225e+02 1.10 -2.116422246e+02 -2.116422246e+02 -2.829437466e+02 -2.829437466e+02 -9.737765592e+01 -9.737765592e+01 -2.982566624e+02 -2.982566624e+02 1.12 -1.986751055e+02 -1.986751055e+02 -2.672518416e+02 -2.672518416e+02 -8.863544204e+01 -8.863544204e+01 -2.813624237e+02 -2.813624237e+02 1.14 -1.864435443e+02 -1.864435443e+02 -2.524918164e+02 -2.524918164e+02 -8.097648173e+01 -8.097648173e+01 -2.656105242e+02 -2.656105242e+02 1.16 -1.748154510e+02 -1.748154510e+02 -2.385091125e+02 -2.385091125e+02 -7.424546497e+01 -7.424546497e+01 -2.509742742e+02 -2.509742742e+02 1.18 -1.636191832e+02 -1.636191832e+02 -2.253598435e+02 -2.253598435e+02 -6.834188591e+01 -6.834188591e+01 -2.374547983e+02 -2.374547983e+02 1.20 -1.527566814e+02 -1.527566814e+02 -2.130987569e+02 -2.130987569e+02 -6.315838194e+01 -6.315838194e+01 -2.249499774e+02 -2.249499774e+02 1.22 -1.421815529e+02 -1.421815529e+02 -2.017093260e+02 -2.017093260e+02 -5.855400242e+01 -5.855400242e+01 -2.133210564e+02 -2.133210564e+02 1.24 -1.319044050e+02 -1.319044050e+02 -1.911403719e+02 -1.911403719e+02 -5.438242548e+01 -5.438242548e+01 -2.024372198e+02 -2.024372198e+02 1.26 -1.219922592e+02 -1.219922592e+02 -1.813116134e+02 -1.813116134e+02 -5.055137979e+01 -5.055137979e+01 -1.921365958e+02 -1.921365958e+02 1.28 -1.124402974e+02 -1.124402974e+02 -1.720469266e+02 -1.720469266e+02 -4.696241880e+01 -4.696241880e+01 -1.823461773e+02 -1.823461773e+02 1.30 -1.032858410e+02 -1.032858410e+02 -1.632805241e+02 -1.632805241e+02 -4.355342724e+01 -4.355342724e+01 -1.730008556e+02 -1.730008556e+02 1.32 -9.454378255e+01 -9.454378255e+01 -1.548811014e+02 -1.548811014e+02 -4.028795218e+01 -4.028795218e+01 -1.640348560e+02 -1.640348560e+02 1.34 -8.626217282e+01 -8.626217282e+01 -1.467749883e+02 -1.467749883e+02 -3.713030697e+01 -3.713030697e+01 -1.554326964e+02 -1.554326964e+02 1.36 -7.845338411e+01 -7.845338411e+01 -1.388784657e+02 -1.388784657e+02 -3.401681819e+01 -3.401681819e+01 -1.471816130e+02 -1.471816130e+02 1.38 -7.119632367e+01 -7.119632367e+01 -1.312118283e+02 -1.312118283e+02 -3.094453020e+01 -3.094453020e+01 -1.392573811e+02 -1.392573811e+02 1.40 -6.453590589e+01 -6.453590589e+01 -1.237233429e+02 -1.237233429e+02 -2.788050474e+01 -2.788050474e+01 -1.316087560e+02 -1.316087560e+02 1.42 -5.847571399e+01 -5.847571399e+01 -1.163897556e+02 -1.163897556e+02 -2.484007227e+01 -2.484007227e+01 -1.241677527e+02 -1.241677527e+02 1.44 -5.301458599e+01 -5.301458599e+01 -1.091382673e+02 -1.091382673e+02 -2.178539172e+01 -2.178539172e+01 -1.168737910e+02 -1.168737910e+02 1.46 -4.803136352e+01 -4.803136352e+01 -1.018790267e+02 -1.018790267e+02 -1.867700536e+01 -1.867700536e+01 -1.096864037e+02 -1.096864037e+02 1.48 -4.346003639e+01 -4.346003639e+01 -9.463802032e+01 -9.463802032e+01 -1.549796675e+01 -1.549796675e+01 -1.025785649e+02 -1.025785649e+02 1.50 -3.924291154e+01 -3.924291154e+01 -8.739877325e+01 -8.739877325e+01 -1.229717021e+01 -1.229717021e+01 -9.552940693e+01 -9.552940693e+01 1.52 -3.535177220e+01 -3.535177220e+01 -8.018002222e+01 -8.018002222e+01 -9.599631693e+00 -9.599631693e+00 -8.855283222e+01 -8.855283222e+01 1.54 -3.175228340e+01 -3.175228340e+01 -7.301456266e+01 -7.301456266e+01 -7.464119283e+00 -7.464119283e+00 -8.167837846e+01 -8.167837846e+01 1.56 -2.840455018e+01 -2.840455018e+01 -6.594035037e+01 -6.594035037e+01 -5.823397615e+00 -5.823397615e+00 -7.491649055e+01 -7.491649055e+01 1.58 -2.527041046e+01 -2.527041046e+01 -5.897996545e+01 -5.897996545e+01 -4.603349617e+00 -4.603349617e+00 -6.829038207e+01 -6.829038207e+01 1.60 -2.233169267e+01 -2.233169267e+01 -5.217316955e+01 -5.217316955e+01 -3.715061762e+00 -3.715061762e+00 -6.182014543e+01 -6.182014543e+01 1.62 -1.952340440e+01 -1.952340440e+01 -4.558595667e+01 -4.558595667e+01 -3.087869578e+00 -3.087869578e+00 -5.550700445e+01 -5.550700445e+01 1.64 -1.685540722e+01 -1.685540722e+01 -3.928291705e+01 -3.928291705e+01 -2.637564424e+00 -2.637564424e+00 -4.938352762e+01 -4.938352762e+01 1.66 -1.427987495e+01 -1.427987495e+01 -3.332316872e+01 -3.332316872e+01 -2.268684852e+00 -2.268684852e+00 -4.344671287e+01 -4.344671287e+01 1.68 -1.183486408e+01 -1.183486408e+01 -2.777727190e+01 -2.777727190e+01 -1.935604909e+00 -1.935604909e+00 -3.773006569e+01 -3.773006569e+01 1.70 -9.769336397e+00 -9.769336397e+00 -2.264390675e+01 -2.264390675e+01 -1.600637632e+00 -1.600637632e+00 -3.225788976e+01 -3.225788976e+01 1.72 -8.041879032e+00 -8.041879032e+00 -1.792545993e+01 -1.792545993e+01 -1.345715049e+00 -1.345715049e+00 -2.707283633e+01 -2.707283633e+01 1.74 -6.600185991e+00 -6.600185991e+00 -1.360580503e+01 -1.360580503e+01 -1.216315409e+00 -1.216315409e+00 -2.219253284e+01 -2.219253284e+01 1.76 -5.424724577e+00 -5.424724577e+00 -9.714384777e+00 -9.714384777e+00 -1.162257843e+00 -1.162257843e+00 -1.763883941e+01 -1.763883941e+01 1.78 -4.492969867e+00 -4.492969867e+00 -6.674080852e+00 -6.674080852e+00 -1.152310188e+00 -1.152310188e+00 -1.341922534e+01 -1.341922534e+01 1.80 -3.777506981e+00 -3.777506981e+00 -4.556033044e+00 -4.556033044e+00 -1.153364166e+00 -1.153364166e+00 -9.548524397e+00 -9.548524397e+00 1.82 -3.233555204e+00 -3.233555204e+00 -3.118960059e+00 -3.118960059e+00 -1.160115593e+00 -1.160115593e+00 -6.502418990e+00 -6.502418990e+00 1.84 -2.846452258e+00 -2.846452258e+00 -2.177323355e+00 -2.177323355e+00 -1.169301363e+00 -1.169301363e+00 -4.370671752e+00 -4.370671752e+00 1.86 -2.578998919e+00 -2.578998919e+00 -1.603070427e+00 -1.603070427e+00 -1.186169941e+00 -1.186169941e+00 -2.925462180e+00 -2.925462180e+00 1.88 -2.401945416e+00 -2.401945416e+00 -1.294946923e+00 -1.294946923e+00 -1.210444625e+00 -1.210444625e+00 -1.988215052e+00 -1.988215052e+00 1.90 -2.279315947e+00 -2.279315947e+00 -1.176241317e+00 -1.176241317e+00 -1.243961350e+00 -1.243961350e+00 -1.419033719e+00 -1.419033719e+00 1.92 -2.198532464e+00 -2.198532464e+00 -1.188290958e+00 -1.188290958e+00 -1.288030334e+00 -1.288030334e+00 -1.115158124e+00 -1.115158124e+00 1.94 -2.137280804e+00 -2.137280804e+00 -1.289829779e+00 -1.289829779e+00 -1.343009250e+00 -1.343009250e+00 -9.911483022e-01 -9.911483022e-01 1.96 -2.080812625e+00 -2.080812625e+00 -1.451772387e+00 -1.451772387e+00 -1.407591838e+00 -1.407591838e+00 -9.963189486e-01 -9.963189486e-01 1.98 -2.043006298e+00 -2.043006298e+00 -1.652646485e+00 -1.652646485e+00 -1.480198909e+00 -1.480198909e+00 -1.094957522e+00 -1.094957522e+00 2.00 -2.047245539e+00 -2.047245539e+00 -1.871516106e+00 -1.871516106e+00 -1.555971714e+00 -1.555971714e+00 -1.255012380e+00 -1.255012380e+00 2.02 -2.109092734e+00 -2.109092734e+00 -2.089454084e+00 -2.089454084e+00 -1.632249744e+00 -1.632249744e+00 -1.454752478e+00 -1.454752478e+00 2.04 -2.215764195e+00 -2.215764195e+00 -2.313132843e+00 -2.313132843e+00 -1.713055908e+00 -1.713055908e+00 -1.682085222e+00 -1.682085222e+00 2.06 -2.348267119e+00 -2.348267119e+00 -2.531591824e+00 -2.531591824e+00 -1.795809149e+00 -1.795809149e+00 -1.920707379e+00 -1.920707379e+00 2.08 -2.492984618e+00 -2.492984618e+00 -2.741990702e+00 -2.741990702e+00 -1.880491728e+00 -1.880491728e+00 -2.157764300e+00 -2.157764300e+00 2.10 -2.638969524e+00 -2.638969524e+00 -2.942820773e+00 -2.942820773e+00 -1.966877699e+00 -1.966877699e+00 -2.390509973e+00 -2.390509973e+00 2.12 -2.779167506e+00 -2.779167506e+00 -3.134194760e+00 -3.134194760e+00 -2.054775663e+00 -2.054775663e+00 -2.609883599e+00 -2.609883599e+00 2.14 -2.902662504e+00 -2.902662504e+00 -3.297689811e+00 -3.297689811e+00 -2.125246928e+00 -2.125246928e+00 -2.815793182e+00 -2.815793182e+00 2.16 -3.020643429e+00 -3.020643429e+00 -3.455870837e+00 -3.455870837e+00 -2.200321535e+00 -2.200321535e+00 -3.010486216e+00 -3.010486216e+00 2.18 -3.128366757e+00 -3.128366757e+00 -3.599231649e+00 -3.599231649e+00 -2.269603071e+00 -2.269603071e+00 -3.195565022e+00 -3.195565022e+00 2.20 -3.225015526e+00 -3.225015526e+00 -3.726050140e+00 -3.726050140e+00 -2.330931947e+00 -2.330931947e+00 -3.364937708e+00 -3.364937708e+00 2.22 -3.309851205e+00 -3.309851205e+00 -3.835585330e+00 -3.835585330e+00 -2.382719001e+00 -2.382719001e+00 -3.524629917e+00 -3.524629917e+00 2.24 -3.383003529e+00 -3.383003529e+00 -3.928995964e+00 -3.928995964e+00 -2.424995871e+00 -2.424995871e+00 -3.664321738e+00 -3.664321738e+00 2.26 -3.443772115e+00 -3.443772115e+00 -4.007244391e+00 -4.007244391e+00 -2.458179547e+00 -2.458179547e+00 -3.793102858e+00 -3.793102858e+00 2.28 -3.491404835e+00 -3.491404835e+00 -4.071857195e+00 -4.071857195e+00 -2.482971252e+00 -2.482971252e+00 -3.907512346e+00 -3.907512346e+00 2.30 -3.525705318e+00 -3.525705318e+00 -4.125143682e+00 -4.125143682e+00 -2.500361088e+00 -2.500361088e+00 -4.000326747e+00 -4.000326747e+00 2.32 -3.546848638e+00 -3.546848638e+00 -4.170042488e+00 -4.170042488e+00 -2.511522603e+00 -2.511522603e+00 -4.081738694e+00 -4.081738694e+00 2.34 -3.555713984e+00 -3.555713984e+00 -4.193227698e+00 -4.193227698e+00 -2.517658883e+00 -2.517658883e+00 -4.149457554e+00 -4.149457554e+00 2.36 -3.553921734e+00 -3.553921734e+00 -4.217860625e+00 -4.217860625e+00 -2.519862866e+00 -2.519862866e+00 -4.204774561e+00 -4.204774561e+00 2.38 -3.543732984e+00 -3.543732984e+00 -4.237959741e+00 -4.237959741e+00 -2.519035765e+00 -2.519035765e+00 -4.248859804e+00 -4.248859804e+00 2.40 -3.527742912e+00 -3.527742912e+00 -4.238819179e+00 -4.238819179e+00 -2.507761510e+00 -2.507761510e+00 -4.282763784e+00 -4.282763784e+00 2.42 -3.508463375e+00 -3.508463375e+00 -4.241098842e+00 -4.241098842e+00 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