# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlCr # 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 nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.949576285e+02 2.949576285e+02 nan nan 0.86 nan nan nan nan 2.684864233e+02 2.684864233e+02 nan nan 0.88 nan nan nan nan 2.447398807e+02 2.447398807e+02 nan nan 0.90 nan nan nan nan 2.234215203e+02 2.234215203e+02 nan nan 0.92 nan nan nan nan 2.039272232e+02 2.039272232e+02 nan nan 0.94 nan nan nan nan 1.865338875e+02 1.865338875e+02 nan nan 0.96 2.931569830e+02 2.931569830e+02 nan nan 1.706287811e+02 1.706287811e+02 nan nan 0.98 2.692025175e+02 2.692025175e+02 nan nan 1.559632275e+02 1.559632275e+02 nan nan 1.00 2.475865314e+02 2.475865314e+02 nan nan 1.429927244e+02 1.429927244e+02 nan nan 1.02 2.272538958e+02 2.272538958e+02 nan nan 1.309257209e+02 1.309257209e+02 nan nan 1.04 2.092099253e+02 2.092099253e+02 nan nan 1.198232822e+02 1.198232822e+02 nan nan 1.06 1.923620752e+02 1.923620752e+02 nan nan 1.099071294e+02 1.099071294e+02 nan nan 1.08 1.770112481e+02 1.770112481e+02 2.535870630e+02 2.535870630e+02 1.010821497e+02 1.010821497e+02 2.726780143e+02 2.726780143e+02 1.10 1.632229380e+02 1.632229380e+02 2.345755762e+02 2.345755762e+02 9.279974326e+01 9.279974326e+01 2.522384445e+02 2.522384445e+02 1.12 1.501292113e+02 1.501292113e+02 2.166718502e+02 2.166718502e+02 8.518138007e+01 8.518138007e+01 2.333040597e+02 2.333040597e+02 1.14 1.380526621e+02 1.380526621e+02 2.000667827e+02 2.000667827e+02 7.807806329e+01 7.807806330e+01 2.159304950e+02 2.159304950e+02 1.16 1.272438835e+02 1.272438835e+02 1.850184358e+02 1.850184358e+02 7.170043975e+01 7.170043975e+01 1.998820502e+02 1.998820502e+02 1.18 1.173957846e+02 1.173957846e+02 1.710447253e+02 1.710447253e+02 6.587432912e+01 6.587432912e+01 1.851664280e+02 1.851664280e+02 1.20 1.079655111e+02 1.079655111e+02 1.586849299e+02 1.586849299e+02 6.059603303e+01 6.059603303e+01 1.713890514e+02 1.713890514e+02 1.22 9.945899601e+01 9.945899601e+01 1.467418835e+02 1.467418835e+02 5.570568060e+01 5.570568060e+01 1.589105786e+02 1.589105786e+02 1.24 9.188443446e+01 9.188443446e+01 1.355685174e+02 1.355685174e+02 5.107206464e+01 5.107206464e+01 1.471280875e+02 1.471280875e+02 1.26 8.457280558e+01 8.457280558e+01 1.255521121e+02 1.255521121e+02 4.687577485e+01 4.687577485e+01 1.363933486e+02 1.363933486e+02 1.28 7.778594024e+01 7.778594024e+01 1.161021012e+02 1.161021012e+02 4.305331190e+01 4.305331190e+01 1.263450435e+02 1.263450435e+02 1.30 7.161075679e+01 7.161075679e+01 1.074381373e+02 1.074381373e+02 3.965447182e+01 3.965447182e+01 1.169400466e+02 1.169400466e+02 1.32 6.577943386e+01 6.577943386e+01 9.921504337e+01 9.921504337e+01 3.632446654e+01 3.632446654e+01 1.082796351e+02 1.082796351e+02 1.34 6.040121509e+01 6.040121509e+01 9.199270327e+01 9.199270327e+01 3.332569737e+01 3.332569737e+01 1.002045931e+02 1.002045931e+02 1.36 5.557068353e+01 5.557068353e+01 8.490224228e+01 8.490224228e+01 3.050354761e+01 3.050354761e+01 9.277391444e+01 9.277391444e+01 1.38 5.122676007e+01 5.122676007e+01 7.836798055e+01 7.836798055e+01 2.794024935e+01 2.794024935e+01 8.592475281e+01 8.592475281e+01 1.40 4.695578287e+01 4.695578287e+01 7.227859376e+01 7.227859376e+01 2.554670000e+01 2.554670000e+01 7.954869773e+01 7.954869773e+01 1.42 4.314835986e+01 4.314835986e+01 6.663353061e+01 6.663353061e+01 2.334267993e+01 2.334267993e+01 7.363692425e+01 7.363692425e+01 1.44 3.949077708e+01 3.949077708e+01 6.174678377e+01 6.174678377e+01 2.148660869e+01 2.148660869e+01 6.799405403e+01 6.799405403e+01 1.46 3.623088551e+01 3.623088551e+01 5.714080103e+01 5.714080103e+01 1.988507348e+01 1.988507348e+01 6.282295300e+01 6.282295300e+01 1.48 3.309531494e+01 3.309531494e+01 5.257191183e+01 5.257191183e+01 1.811526415e+01 1.811526415e+01 5.814875691e+01 5.814875691e+01 1.50 3.039917201e+01 3.039917201e+01 4.833285131e+01 4.833285131e+01 1.648456073e+01 1.648456073e+01 5.362685685e+01 5.362685685e+01 1.52 2.770067964e+01 2.770067964e+01 4.453932453e+01 4.453932453e+01 1.498166584e+01 1.498166584e+01 4.951813909e+01 4.951813909e+01 1.54 2.544970835e+01 2.544970835e+01 4.111746696e+01 4.111746696e+01 1.371793244e+01 1.371793244e+01 4.559999588e+01 4.559999588e+01 1.56 2.311966207e+01 2.311966207e+01 3.769075869e+01 3.769075869e+01 1.242849376e+01 1.242849376e+01 4.196675812e+01 4.196675812e+01 1.58 2.100167494e+01 2.100167494e+01 3.455723690e+01 3.455723690e+01 1.128707326e+01 1.128707326e+01 3.866495406e+01 3.866495406e+01 1.60 1.900809234e+01 1.900809234e+01 3.159995163e+01 3.159995163e+01 1.018672833e+01 1.018672833e+01 3.555194326e+01 3.555194326e+01 1.62 1.716563876e+01 1.716563876e+01 2.885442965e+01 2.885442965e+01 9.172239388e+00 9.172239388e+00 3.256733127e+01 3.256733127e+01 1.64 1.546295197e+01 1.546295197e+01 2.630539072e+01 2.630539072e+01 8.236890415e+00 8.236890415e+00 2.979310897e+01 2.979310897e+01 1.66 1.388958081e+01 1.388958081e+01 2.407436754e+01 2.407436754e+01 7.374527577e+00 7.374527577e+00 2.721431570e+01 2.721431570e+01 1.68 1.243590496e+01 1.243590496e+01 2.198508735e+01 2.198508735e+01 6.639503622e+00 6.639503622e+00 2.489944620e+01 2.489944620e+01 1.70 1.136315252e+01 1.136315252e+01 1.992322611e+01 1.992322611e+01 5.901122270e+00 5.901122270e+00 2.283136184e+01 2.283136184e+01 1.72 1.009954699e+01 1.009954699e+01 1.800965699e+01 1.800965699e+01 5.220657127e+00 5.220657127e+00 2.073820972e+01 2.073820972e+01 1.74 8.933101992e+00 8.933101992e+00 1.637018150e+01 1.637018150e+01 4.729927732e+00 4.729927732e+00 1.887454174e+01 1.887454174e+01 1.76 7.978936021e+00 7.978936021e+00 1.471113210e+01 1.471113210e+01 4.140859786e+00 4.140859786e+00 1.706016285e+01 1.706016285e+01 1.78 6.975220474e+00 6.975220474e+00 1.317232914e+01 1.317232914e+01 3.598475384e+00 3.598475384e+00 1.555919441e+01 1.555919441e+01 1.80 6.049808236e+00 6.049808236e+00 1.174541098e+01 1.174541098e+01 3.099253523e+00 3.099253523e+00 1.397865539e+01 1.397865539e+01 1.82 5.245181209e+00 5.245181209e+00 1.060332574e+01 1.060332574e+01 2.639950999e+00 2.639950999e+00 1.255307671e+01 1.255307671e+01 1.84 4.455809309e+00 4.455809309e+00 9.362929954e+00 9.362929954e+00 2.217578783e+00 2.217578783e+00 1.118753947e+01 1.118753947e+01 1.86 3.729192491e+00 3.729192491e+00 8.456200109e+00 8.456200109e+00 1.950489769e+00 1.950489769e+00 1.001299529e+01 1.001299529e+01 1.88 3.060787511e+00 3.060787511e+00 7.372189656e+00 7.372189656e+00 1.583811130e+00 1.583811130e+00 8.830463968e+00 8.830463968e+00 1.90 2.575722650e+00 2.575722650e+00 6.369178550e+00 6.369178550e+00 1.247255201e+00 1.247255201e+00 7.815650175e+00 7.815650175e+00 1.92 2.000934547e+00 2.000934547e+00 5.441601903e+00 5.441601903e+00 9.385849128e-01 9.385849128e-01 6.841430838e+00 6.841430838e+00 1.94 1.473485497e+00 1.473485497e+00 4.653870983e+00 4.653870983e+00 7.253173408e-01 7.253173408e-01 5.890513089e+00 5.890513089e+00 1.96 9.899577410e-01 9.899577410e-01 3.856709445e+00 3.856709445e+00 4.610758618e-01 4.610758618e-01 5.056463255e+00 5.056463255e+00 1.98 5.471812889e-01 5.471812889e-01 3.120927635e+00 3.120927635e+00 2.193791162e-01 2.193791162e-01 4.238598944e+00 4.238598944e+00 2.00 2.833295787e-01 2.833295787e-01 2.442330301e+00 2.442330301e+00 -1.437775134e-03 -1.437775134e-03 3.482451814e+00 3.482451814e+00 2.02 -9.697283435e-02 -9.697283435e-02 1.817011642e+00 1.817011642e+00 -2.029156965e-01 -2.029156965e-01 2.783870874e+00 2.783870874e+00 2.04 -4.439612289e-01 -4.439612289e-01 1.241334036e+00 1.241334036e+00 -3.864813183e-01 -3.864813183e-01 2.293858478e+00 2.293858478e+00 2.06 -7.600456095e-01 -7.600456095e-01 7.119084623e-01 7.119084623e-01 -5.534560496e-01 -5.534560496e-01 1.687551149e+00 1.687551149e+00 2.08 -1.047464759e+00 -1.047464759e+00 2.255764861e-01 2.255764861e-01 -7.050642385e-01 -7.050642385e-01 1.128824543e+00 1.128824543e+00 2.10 -1.219940232e+00 -1.219940232e+00 -1.052805070e-01 -1.052805070e-01 -7.879826171e-01 -7.879826171e-01 6.371252015e-01 6.371252015e-01 2.12 -1.394420083e+00 -1.394420083e+00 -4.693202617e-01 -4.693202617e-01 -8.866047928e-01 -8.866047928e-01 1.815412521e-01 1.815412521e-01 2.14 -1.618810316e+00 -1.618810316e+00 -8.550568938e-01 -8.550568938e-01 -1.004497589e+00 -1.004497589e+00 -2.557559209e-01 -2.557559209e-01 2.16 -1.821206689e+00 -1.821206689e+00 -1.207476197e+00 -1.207476197e+00 -1.110659541e+00 -1.110659541e+00 -6.337333772e-01 -6.337333772e-01 2.18 -2.003222025e+00 -2.003222025e+00 -1.528870910e+00 -1.528870910e+00 -1.205962068e+00 -1.205962068e+00 -9.565668887e-01 -9.565668887e-01 2.20 -2.166356408e+00 -2.166356408e+00 -1.821380926e+00 -1.821380926e+00 -1.291214085e+00 -1.291214085e+00 -1.296998368e+00 -1.296998368e+00 2.22 -2.312005253e+00 -2.312005253e+00 -2.087003878e+00 -2.087003878e+00 -1.367166652e+00 -1.367166652e+00 -1.607761172e+00 -1.607761172e+00 2.24 -2.371854421e+00 -2.371854421e+00 -2.188380215e+00 -2.188380215e+00 -1.295292554e+00 -1.295292554e+00 -1.890871383e+00 -1.890871383e+00 2.26 -2.490950928e+00 -2.490950928e+00 -2.414929898e+00 -2.414929898e+00 -1.363917872e+00 -1.363917872e+00 -2.148213255e+00 -2.148213255e+00 2.28 -2.595886399e+00 -2.595886399e+00 -2.619214941e+00 -2.619214941e+00 -1.424579756e+00 -1.424579756e+00 -2.381548135e+00 -2.381548135e+00 2.30 -2.687726919e+00 -2.687726919e+00 -2.802795085e+00 -2.802795085e+00 -1.477877666e+00 -1.477877666e+00 -2.592522730e+00 -2.592522730e+00 2.32 -2.767464751e+00 -2.767464751e+00 -2.967127519e+00 -2.967127519e+00 -1.524368955e+00 -1.524368955e+00 -2.688191991e+00 -2.688191991e+00 2.34 -2.836023488e+00 -2.836023488e+00 -3.113573751e+00 -3.113573751e+00 -1.564571884e+00 -1.564571884e+00 -2.865284103e+00 -2.865284103e+00 2.36 -2.894262820e+00 -2.894262820e+00 -3.243405984e+00 -3.243405984e+00 -1.598968408e+00 -1.598968408e+00 -2.932234147e+00 -2.932234147e+00 2.38 -2.942982967e+00 -2.942982967e+00 -3.357813054e+00 -3.357813054e+00 -1.628006759e+00 -1.628006759e+00 -3.079492463e+00 -3.079492463e+00 2.40 -2.982928785e+00 -2.982928785e+00 -3.457905943e+00 -3.457905943e+00 -1.652103831e+00 -1.652103831e+00 -3.210422797e+00 -3.210422797e+00 2.42 -3.014793577e+00 -3.014793577e+00 -3.544722911e+00 -3.544722911e+00 -1.671647387e+00 -1.671647387e+00 -3.243249477e+00 -3.243249477e+00 2.44 -3.039222630e+00 -3.039222630e+00 -3.473864900e+00 -3.473864900e+00 -1.686998106e+00 -1.686998106e+00 -3.350253866e+00 -3.350253866e+00 2.46 -3.056816511e+00 -3.056816511e+00 -3.545799493e+00 -3.545799493e+00 -1.698491480e+00 -1.698491480e+00 -3.443817082e+00 -3.443817082e+00 2.48 -3.068134113e+00 -3.068134113e+00 -3.606647997e+00 -3.606647997e+00 -1.706439573e+00 -1.706439573e+00 -3.524902187e+00 -3.524902187e+00 2.50 -3.073695497e+00 -3.073695497e+00 -3.657234513e+00 -3.657234513e+00 -1.711132643e+00 -1.711132643e+00 -3.594410288e+00 -3.594410288e+00 2.52 -3.073984532e+00 -3.073984532e+00 -3.575469632e+00 -3.575469632e+00 -1.651410798e+00 -1.651410798e+00 -3.653184501e+00 -3.653184501e+00 2.54 -3.069451347e+00 -3.069451347e+00 -3.615435250e+00 -3.615435250e+00 -1.654206074e+00 -1.654206074e+00 -3.653597360e+00 -3.653597360e+00 2.56 -3.060514619e+00 -3.060514619e+00 -3.646829588e+00 -3.646829588e+00 -1.654264628e+00 -1.654264628e+00 -3.696045721e+00 -3.696045721e+00 2.58 -2.905613105e+00 -2.905613105e+00 -3.670310311e+00 -3.670310311e+00 -1.651818000e+00 -1.651818000e+00 -3.729812582e+00 -3.729812582e+00 2.60 -2.897195710e+00 -2.897195710e+00 -3.686492100e+00 -3.686492100e+00 -1.647081615e+00 -1.647081615e+00 -3.755553246e+00 -3.755553246e+00 2.62 -2.884991035e+00 -2.884991035e+00 -3.695949376e+00 -3.695949376e+00 -1.640255871e+00 -1.640255871e+00 -3.773880704e+00 -3.773880704e+00 2.64 -2.869338712e+00 -2.869338712e+00 -3.699218860e+00 -3.699218860e+00 -1.631527157e+00 -1.631527157e+00 -3.785368295e+00 -3.785368295e+00 2.66 -2.850554669e+00 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