# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoNi # 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 -1.391888937e+02 -1.391888937e+02 nan nan 0.82 nan nan nan nan -1.443810375e+02 -1.443810375e+02 nan nan 0.84 nan nan nan nan -1.454031317e+02 -1.454031317e+02 nan nan 0.86 nan nan nan nan -1.433918876e+02 -1.433918876e+02 nan nan 0.88 nan nan nan nan -1.391952000e+02 -1.391952000e+02 nan nan 0.90 -1.955936527e+02 -1.955936527e+02 nan nan -1.337020937e+02 -1.337020937e+02 nan nan 0.92 -1.912423889e+02 -1.912423889e+02 nan nan -1.272389322e+02 -1.272389322e+02 nan nan 0.94 -1.850065848e+02 -1.850065848e+02 nan nan -1.196112886e+02 -1.196112886e+02 nan nan 0.96 -1.775617710e+02 -1.775617710e+02 nan nan -1.110286794e+02 -1.110286794e+02 nan nan 0.98 -1.701225485e+02 -1.701225485e+02 nan nan -1.021368813e+02 -1.021368813e+02 nan nan 1.00 -1.631393627e+02 -1.631393627e+02 nan nan -9.329878140e+01 -9.329878140e+01 nan nan 1.02 -1.566911233e+02 -1.566911233e+02 -1.866099817e+02 -1.866099817e+02 -8.467589446e+01 -8.467589446e+01 -1.936096028e+02 -1.936096028e+02 1.04 -1.508332584e+02 -1.508332584e+02 -1.810849999e+02 -1.810849999e+02 -7.636663623e+01 -7.636663623e+01 -1.875518977e+02 -1.875518977e+02 1.06 -1.455576621e+02 -1.455576621e+02 -1.758377973e+02 -1.758377973e+02 -6.854320903e+01 -6.854320903e+01 -1.815651802e+02 -1.815651802e+02 1.08 -1.404850135e+02 -1.404850135e+02 -1.709946703e+02 -1.709946703e+02 -6.141012766e+01 -6.141012766e+01 -1.754288829e+02 -1.754288829e+02 1.10 -1.353137450e+02 -1.353137450e+02 -1.662307712e+02 -1.662307712e+02 -5.499003980e+01 -5.499003980e+01 -1.691083974e+02 -1.691083974e+02 1.12 -1.302248304e+02 -1.302248304e+02 -1.611281588e+02 -1.611281588e+02 -4.917037658e+01 -4.917037658e+01 -1.628319657e+02 -1.628319657e+02 1.14 -1.254046104e+02 -1.254046104e+02 -1.556159065e+02 -1.556159065e+02 -4.398853573e+01 -4.398853573e+01 -1.569169577e+02 -1.569169577e+02 1.16 -1.207331044e+02 -1.207331044e+02 -1.498051243e+02 -1.498051243e+02 -3.954622219e+01 -3.954622219e+01 -1.515879396e+02 -1.515879396e+02 1.18 -1.159645797e+02 -1.159645797e+02 -1.440236670e+02 -1.440236670e+02 -3.590920576e+01 -3.590920576e+01 -1.469110703e+02 -1.469110703e+02 1.20 -1.108991847e+02 -1.108991847e+02 -1.387081438e+02 -1.387081438e+02 -3.306263570e+01 -3.306263570e+01 -1.427729722e+02 -1.427729722e+02 1.22 -1.054870020e+02 -1.054870020e+02 -1.340369719e+02 -1.340369719e+02 -3.090127332e+01 -3.090127332e+01 -1.390157178e+02 -1.390157178e+02 1.24 -9.981527096e+01 -9.981527096e+01 -1.299148229e+02 -1.299148229e+02 -2.918096691e+01 -2.918096691e+01 -1.355263159e+02 -1.355263159e+02 1.26 -9.396570934e+01 -9.396570934e+01 -1.262141555e+02 -1.262141555e+02 -2.765059773e+01 -2.765059773e+01 -1.321600794e+02 -1.321600794e+02 1.28 -8.793462367e+01 -8.793462367e+01 -1.228899665e+02 -1.228899665e+02 -2.620163878e+01 -2.620163878e+01 -1.287693289e+02 -1.287693289e+02 1.30 -8.174087029e+01 -8.174087029e+01 -1.197793537e+02 -1.197793537e+02 -2.480273842e+01 -2.480273842e+01 -1.252318044e+02 -1.252318044e+02 1.32 -7.544536225e+01 -7.544536225e+01 -1.166697938e+02 -1.166697938e+02 -2.344451185e+01 -2.344451185e+01 -1.215228908e+02 -1.215228908e+02 1.34 -6.912340349e+01 -6.912340349e+01 -1.133944190e+02 -1.133944190e+02 -2.205292069e+01 -2.205292069e+01 -1.176801970e+02 -1.176801970e+02 1.36 -6.294263421e+01 -6.294263421e+01 -1.099535017e+02 -1.099535017e+02 -2.055525848e+01 -2.055525848e+01 -1.137285113e+02 -1.137285113e+02 1.38 -5.711001320e+01 -5.711001320e+01 -1.064425990e+02 -1.064425990e+02 -1.895801723e+01 -1.895801723e+01 -1.097091975e+02 -1.097091975e+02 1.40 -5.180810604e+01 -5.180810604e+01 -1.028700446e+02 -1.028700446e+02 -1.730607167e+01 -1.730607167e+01 -1.056903993e+02 -1.056903993e+02 1.42 -4.711757050e+01 -4.711757050e+01 -9.910850577e+01 -9.910850577e+01 -1.559865636e+01 -1.559865636e+01 -1.017001082e+02 -1.017001082e+02 1.44 -4.298715486e+01 -4.298715486e+01 -9.504071044e+01 -9.504071044e+01 -1.380626831e+01 -1.380626831e+01 -9.770393932e+01 -9.770393932e+01 1.46 -3.924070687e+01 -3.924070687e+01 -9.060516786e+01 -9.060516786e+01 -1.186618973e+01 -1.186618973e+01 -9.361833718e+01 -9.361833718e+01 1.48 -3.573323577e+01 -3.573323577e+01 -8.580984469e+01 -8.580984469e+01 -9.710952132e+00 -9.710952132e+00 -8.938685621e+01 -8.938685621e+01 1.50 -3.241851548e+01 -3.241851548e+01 -8.072948267e+01 -8.072948267e+01 -7.481929620e+00 -7.481929620e+00 -8.499553982e+01 -8.499553982e+01 1.52 -2.930136999e+01 -2.930136999e+01 -7.546141238e+01 -7.546141238e+01 -5.363766419e+00 -5.363766419e+00 -8.045681243e+01 -8.045681243e+01 1.54 -2.637937282e+01 -2.637937282e+01 -7.007875092e+01 -7.007875092e+01 -3.633113142e+00 -3.633113142e+00 -7.578108815e+01 -7.578108815e+01 1.56 -2.363458736e+01 -2.363458736e+01 -6.459273438e+01 -6.459273438e+01 -2.318961018e+00 -2.318961018e+00 -7.097008511e+01 -7.097008511e+01 1.58 -2.104887568e+01 -2.104887568e+01 -5.897488065e+01 -5.897488065e+01 -1.358620817e+00 -1.358620817e+00 -6.604279228e+01 -6.604279228e+01 1.60 -1.861755285e+01 -1.861755285e+01 -5.321409771e+01 -5.321409771e+01 -6.916461203e-01 -6.916461203e-01 -6.102726694e+01 -6.102726694e+01 1.62 -1.631287890e+01 -1.631287890e+01 -4.737053922e+01 -4.737053922e+01 -2.678117207e-01 -2.678117207e-01 -5.593458673e+01 -5.593458673e+01 1.64 -1.410091236e+01 -1.410091236e+01 -4.158111953e+01 -4.158111953e+01 -3.228388527e-02 -3.228388527e-02 -5.076638284e+01 -5.076638284e+01 1.66 -1.197240459e+01 -1.197240459e+01 -3.599271620e+01 -3.599271620e+01 8.168707588e-02 8.168707588e-02 -4.554299410e+01 -4.554299410e+01 1.68 -1.003751332e+01 -1.003751332e+01 -3.068318630e+01 -3.068318630e+01 1.439432006e-01 1.439432006e-01 -4.031945764e+01 -4.031945764e+01 1.70 -8.317328800e+00 -8.317328800e+00 -2.565972838e+01 -2.565972838e+01 2.138223385e-01 2.138223385e-01 -3.516944718e+01 -3.516944718e+01 1.72 -6.885592265e+00 -6.885592265e+00 -2.093109918e+01 -2.093109918e+01 2.814839674e-01 2.814839674e-01 -3.015198420e+01 -3.015198420e+01 1.74 -5.701995660e+00 -5.701995660e+00 -1.652162472e+01 -1.652162472e+01 2.474808555e-01 2.474808555e-01 -2.530679278e+01 -2.530679278e+01 1.76 -4.737931088e+00 -4.737931088e+00 -1.244860878e+01 -1.244860878e+01 1.182040264e-01 1.182040264e-01 -2.066212897e+01 -2.066212897e+01 1.78 -3.965845342e+00 -3.965845342e+00 -8.697102596e+00 -8.697102596e+00 -4.914711286e-02 -4.914711286e-02 -1.624626815e+01 -1.624626815e+01 1.80 -3.351985239e+00 -3.351985239e+00 -5.684361857e+00 -5.684361857e+00 -2.092541202e-01 -2.092541202e-01 -1.209813767e+01 -1.209813767e+01 1.82 -2.866348587e+00 -2.866348587e+00 -3.576808904e+00 -3.576808904e+00 -3.443681837e-01 -3.443681837e-01 -8.292022422e+00 -8.292022422e+00 1.84 -2.489523843e+00 -2.489523843e+00 -2.156474251e+00 -2.156474251e+00 -4.583800644e-01 -4.583800644e-01 -5.314008847e+00 -5.314008847e+00 1.86 -2.207216031e+00 -2.207216031e+00 -1.258916900e+00 -1.258916900e+00 -5.561809725e-01 -5.561809725e-01 -3.272756256e+00 -3.272756256e+00 1.88 -2.005506642e+00 -2.005506642e+00 -7.498410900e-01 -7.498410900e-01 -6.432058476e-01 -6.432058476e-01 -1.926701729e+00 -1.926701729e+00 1.90 -1.869471423e+00 -1.869471423e+00 -5.180912871e-01 -5.180912871e-01 -7.249379689e-01 -7.249379689e-01 -1.085898239e+00 -1.085898239e+00 1.92 -1.784898471e+00 -1.784898471e+00 -4.755129014e-01 -4.755129014e-01 -8.061132602e-01 -8.061132602e-01 -6.084794291e-01 -6.084794291e-01 1.94 -1.739305448e+00 -1.739305448e+00 -5.599120341e-01 -5.599120341e-01 -8.902114644e-01 -8.902114644e-01 -3.881774841e-01 -3.881774841e-01 1.96 -1.720472049e+00 -1.720472049e+00 -7.285088462e-01 -7.285088462e-01 -9.783450796e-01 -9.783450796e-01 -3.462758687e-01 -3.462758687e-01 1.98 -1.713992534e+00 -1.713992534e+00 -9.495228348e-01 -9.495228348e-01 -1.070272848e+00 -1.070272848e+00 -4.264101148e-01 -4.264101148e-01 2.00 -1.714730219e+00 -1.714730219e+00 -1.201217541e+00 -1.201217541e+00 -1.165958424e+00 -1.165958424e+00 -5.911477623e-01 -5.911477623e-01 2.02 -1.743377964e+00 -1.743377964e+00 -1.468961841e+00 -1.468961841e+00 -1.265344264e+00 -1.265344264e+00 -8.151420782e-01 -8.151420782e-01 2.04 -1.831978161e+00 -1.831978161e+00 -1.741663977e+00 -1.741663977e+00 -1.367458537e+00 -1.367458537e+00 -1.078019694e+00 -1.078019694e+00 2.06 -1.984548972e+00 -1.984548972e+00 -2.012570419e+00 -2.012570419e+00 -1.471554979e+00 -1.471554979e+00 -1.364028760e+00 -1.364028760e+00 2.08 -2.178908460e+00 -2.178908460e+00 -2.277996370e+00 -2.277996370e+00 -1.576660765e+00 -1.576660765e+00 -1.659917405e+00 -1.659917405e+00 2.10 -2.390801067e+00 -2.390801067e+00 -2.534587417e+00 -2.534587417e+00 -1.681207602e+00 -1.681207602e+00 -1.953949341e+00 -1.953949341e+00 2.12 -2.599127324e+00 -2.599127324e+00 -2.779600982e+00 -2.779600982e+00 -1.783841574e+00 -1.783841574e+00 -2.235481982e+00 -2.235481982e+00 2.14 -2.789524806e+00 -2.789524806e+00 -3.010390424e+00 -3.010390424e+00 -1.883399130e+00 -1.883399130e+00 -2.498231282e+00 -2.498231282e+00 2.16 -2.959550671e+00 -2.959550671e+00 -3.224035456e+00 -3.224035456e+00 -1.978664866e+00 -1.978664866e+00 -2.743803878e+00 -2.743803878e+00 2.18 -3.110075939e+00 -3.110075939e+00 -3.417348502e+00 -3.417348502e+00 -2.067918185e+00 -2.067918185e+00 -2.973738958e+00 -2.973738958e+00 2.20 -3.241330564e+00 -3.241330564e+00 -3.585817319e+00 -3.585817319e+00 -2.148724910e+00 -2.148724910e+00 -3.188190517e+00 -3.188190517e+00 2.22 -3.353415603e+00 -3.353415603e+00 -3.726915187e+00 -3.726915187e+00 -2.219106898e+00 -2.219106898e+00 -3.386735242e+00 -3.386735242e+00 2.24 -3.447338049e+00 -3.447338049e+00 -3.842950894e+00 -3.842950894e+00 -2.278860743e+00 -2.278860743e+00 -3.568718940e+00 -3.568718940e+00 2.26 -3.523086964e+00 -3.523086964e+00 -3.937866600e+00 -3.937866600e+00 -2.328250883e+00 -2.328250883e+00 -3.732402630e+00 -3.732402630e+00 2.28 -3.580397778e+00 -3.580397778e+00 -4.015167791e+00 -4.015167791e+00 -2.367927774e+00 -2.367927774e+00 -3.876544281e+00 -3.876544281e+00 2.30 -3.619386841e+00 -3.619386841e+00 -4.077260883e+00 -4.077260883e+00 -2.398930564e+00 -2.398930564e+00 -4.000865027e+00 -4.000865027e+00 2.32 -3.640608745e+00 -3.640608745e+00 -4.127082549e+00 -4.127082549e+00 -2.422518131e+00 -2.422518131e+00 -4.106163136e+00 -4.106163136e+00 2.34 -3.645430387e+00 -3.645430387e+00 -4.167453321e+00 -4.167453321e+00 -2.439765008e+00 -2.439765008e+00 -4.194026185e+00 -4.194026185e+00 2.36 -3.636217774e+00 -3.636217774e+00 -4.200833263e+00 -4.200833263e+00 -2.451499981e+00 -2.451499981e+00 -4.266239287e+00 -4.266239287e+00 2.38 -3.616093323e+00 -3.616093323e+00 -4.229174511e+00 -4.229174511e+00 -2.458316870e+00 -2.458316870e+00 -4.324149038e+00 -4.324149038e+00 2.40 -3.588103223e+00 -3.588103223e+00 -4.253355475e+00 -4.253355475e+00 -2.460545724e+00 -2.460545724e+00 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