# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = FeNi # 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 2024-01-04 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 3.515096646e+02 3.515096646e+02 nan nan 0.78 nan nan nan nan 3.112061185e+02 3.112061185e+02 nan nan 0.80 nan nan nan nan 2.763434441e+02 2.763434441e+02 nan nan 0.82 nan nan nan nan 2.461727796e+02 2.461727796e+02 nan nan 0.84 nan nan nan nan 2.199824468e+02 2.199824468e+02 nan nan 0.86 3.787588440e+02 3.787588440e+02 nan nan 1.971565043e+02 1.971565043e+02 nan nan 0.88 3.401082682e+02 3.401082682e+02 nan nan 1.771683098e+02 1.771683098e+02 nan nan 0.90 3.060567888e+02 3.060567888e+02 nan nan 1.595939170e+02 1.595939170e+02 nan nan 0.92 2.760872014e+02 2.760872014e+02 nan nan 1.442159817e+02 1.442159817e+02 nan nan 0.94 2.496654389e+02 2.496654389e+02 nan nan 1.308551881e+02 1.308551881e+02 nan nan 0.96 2.262912365e+02 2.262912365e+02 nan nan 1.193472215e+02 1.193472215e+02 nan nan 0.98 2.055019229e+02 2.055019229e+02 3.233041135e+02 3.233041135e+02 1.094493204e+02 1.094493204e+02 3.719367941e+02 3.719367941e+02 1.00 1.868445991e+02 1.868445991e+02 2.950023501e+02 2.950023501e+02 1.009049172e+02 1.009049172e+02 3.399995797e+02 3.399995797e+02 1.02 1.700624705e+02 1.700624705e+02 2.696469702e+02 2.696469702e+02 9.348270964e+01 9.348270964e+01 3.109172732e+02 3.109172732e+02 1.04 1.550138983e+02 1.550138983e+02 2.468738755e+02 2.468738755e+02 8.700605716e+01 8.700605716e+01 2.844471640e+02 2.844471640e+02 1.06 1.415945462e+02 1.415945462e+02 2.264121292e+02 2.264121292e+02 8.133854307e+01 8.133854307e+01 2.604331111e+02 2.604331111e+02 1.08 1.296659822e+02 1.296659822e+02 2.080033160e+02 2.080033160e+02 7.635437893e+01 7.635437893e+01 2.387154484e+02 2.387154484e+02 1.10 1.190471908e+02 1.190471908e+02 1.913703517e+02 1.913703517e+02 7.191976429e+01 7.191976429e+01 2.191139914e+02 2.191139914e+02 1.12 1.095519335e+02 1.095519335e+02 1.762552822e+02 1.762552822e+02 6.791393434e+01 6.791393434e+01 2.014205036e+02 2.014205036e+02 1.14 1.010085584e+02 1.010085584e+02 1.624329200e+02 1.624329200e+02 6.424844135e+01 6.424844135e+01 1.854096113e+02 1.854096113e+02 1.16 9.331304581e+01 9.331304581e+01 1.496642642e+02 1.496642642e+02 6.081450285e+01 6.081450285e+01 1.708712780e+02 1.708712780e+02 1.18 8.637263926e+01 8.637263926e+01 1.378313513e+02 1.378313513e+02 5.749966125e+01 5.749966125e+01 1.576112586e+02 1.576112586e+02 1.20 8.010872490e+01 8.010872490e+01 1.269087341e+02 1.269087341e+02 5.430820558e+01 5.430820558e+01 1.454336229e+02 1.454336229e+02 1.22 7.445044791e+01 7.445044791e+01 1.168804100e+02 1.168804100e+02 5.127416216e+01 5.127416216e+01 1.341887388e+02 1.341887388e+02 1.24 6.932047055e+01 6.932047055e+01 1.077216629e+02 1.077216629e+02 4.841563807e+01 4.841563807e+01 1.237388487e+02 1.237388487e+02 1.26 6.463020032e+01 6.463020032e+01 9.933745446e+01 9.933745446e+01 4.570459581e+01 4.570459581e+01 1.139756118e+02 1.139756118e+02 1.28 6.029770533e+01 6.029770533e+01 9.164244274e+01 9.164244274e+01 4.313290275e+01 4.313290275e+01 1.048725372e+02 1.048725372e+02 1.30 5.628286026e+01 5.628286026e+01 8.454301177e+01 8.454301177e+01 4.068846626e+01 4.068846626e+01 9.642273874e+01 9.642273874e+01 1.32 5.257543961e+01 5.257543961e+01 7.795826834e+01 7.795826834e+01 3.835951553e+01 3.835951553e+01 8.861632951e+01 8.861632951e+01 1.34 4.913519433e+01 4.913519433e+01 7.185311570e+01 7.185311570e+01 3.615414686e+01 3.615414686e+01 8.143627910e+01 8.143627910e+01 1.36 4.589884452e+01 4.589884452e+01 6.620778325e+01 6.620778325e+01 3.408058561e+01 3.408058561e+01 7.483918523e+01 7.483918523e+01 1.38 4.286050747e+01 4.286050747e+01 6.098741420e+01 6.098741420e+01 3.213275138e+01 3.213275138e+01 6.877176178e+01 6.877176178e+01 1.40 4.001150862e+01 4.001150862e+01 5.615751152e+01 5.615751152e+01 3.029799855e+01 3.029799855e+01 6.317035940e+01 6.317035940e+01 1.42 3.733684770e+01 3.733684770e+01 5.169398937e+01 5.169398937e+01 2.856449457e+01 2.856449457e+01 5.798375222e+01 5.798375222e+01 1.44 3.478955362e+01 3.478955362e+01 4.757329188e+01 4.757329188e+01 2.692409814e+01 2.692409814e+01 5.318055777e+01 5.318055777e+01 1.46 3.235033918e+01 3.235033918e+01 4.375816997e+01 4.375816997e+01 2.537211183e+01 2.537211183e+01 4.874151118e+01 4.874151118e+01 1.48 3.001929312e+01 3.001929312e+01 4.018520400e+01 4.018520400e+01 2.359492076e+01 2.359492076e+01 4.464853240e+01 4.464853240e+01 1.50 2.779832948e+01 2.779832948e+01 3.684130570e+01 3.684130570e+01 2.183032829e+01 2.183032829e+01 4.083924343e+01 4.083924343e+01 1.52 2.569001151e+01 2.569001151e+01 3.371458918e+01 3.371458918e+01 2.013280002e+01 2.013280002e+01 3.728776051e+01 3.728776051e+01 1.54 2.370364270e+01 2.370364270e+01 3.079817344e+01 3.079817344e+01 1.850258934e+01 1.850258934e+01 3.398357604e+01 3.398357604e+01 1.56 2.184280298e+01 2.184280298e+01 2.808534217e+01 2.808534217e+01 1.693567856e+01 1.693567856e+01 3.091667453e+01 3.091667453e+01 1.58 2.010572458e+01 2.010572458e+01 2.556825403e+01 2.556825403e+01 1.543370738e+01 1.543370738e+01 2.807697071e+01 2.807697071e+01 1.60 1.848652588e+01 1.848652588e+01 2.324023784e+01 2.324023784e+01 1.399853110e+01 1.399853110e+01 2.545269027e+01 2.545269027e+01 1.62 1.697961798e+01 1.697961798e+01 2.109411683e+01 2.109411683e+01 1.263176917e+01 1.263176917e+01 2.303222568e+01 2.303222568e+01 1.64 1.557922384e+01 1.557922384e+01 1.912098626e+01 1.912098626e+01 1.133475006e+01 1.133475006e+01 2.080249661e+01 2.080249661e+01 1.66 1.395542970e+01 1.395542970e+01 1.731232576e+01 1.731232576e+01 1.010787558e+01 1.010787558e+01 1.875072196e+01 1.875072196e+01 1.68 1.238842498e+01 1.238842498e+01 1.566043371e+01 1.566043371e+01 8.950342482e+00 8.950342482e+00 1.686796912e+01 1.686796912e+01 1.70 1.091087440e+01 1.091087440e+01 1.415601260e+01 1.415601260e+01 7.860626884e+00 7.860626884e+00 1.514566001e+01 1.514566001e+01 1.72 9.522677843e+00 9.522677843e+00 1.279326691e+01 1.279326691e+01 6.838951405e+00 6.838951405e+00 1.357588609e+01 1.357588609e+01 1.74 8.219487294e+00 8.219487294e+00 1.156228938e+01 1.156228938e+01 5.883719757e+00 5.883719757e+00 1.215188801e+01 1.215188801e+01 1.76 7.003938174e+00 7.003938174e+00 1.044339706e+01 1.044339706e+01 4.992781360e+00 4.992781360e+00 1.086823951e+01 1.086823951e+01 1.78 5.878679938e+00 5.878679938e+00 9.127640105e+00 9.127640105e+00 4.164010304e+00 4.164010304e+00 9.718791803e+00 9.718791803e+00 1.80 4.844866374e+00 4.844866374e+00 7.840842580e+00 7.840842580e+00 3.393867410e+00 3.393867410e+00 8.501493260e+00 8.501493260e+00 1.82 3.900122256e+00 3.900122256e+00 6.634680839e+00 6.634680839e+00 2.678360282e+00 2.678360282e+00 7.250118157e+00 7.250118157e+00 1.84 3.039466077e+00 3.039466077e+00 5.507735074e+00 5.507735074e+00 2.016638463e+00 2.016638463e+00 6.107024336e+00 6.107024336e+00 1.86 2.257203620e+00 2.257203620e+00 4.454388039e+00 4.454388039e+00 1.408207738e+00 1.408207738e+00 5.069519837e+00 5.069519837e+00 1.88 1.549693187e+00 1.549693187e+00 3.478478284e+00 3.478478284e+00 8.520533751e-01 8.520533751e-01 4.125168150e+00 4.125168150e+00 1.90 9.131764720e-01 9.131764720e-01 2.581568249e+00 2.581568249e+00 3.468045336e-01 3.468045336e-01 3.266535922e+00 3.266535922e+00 1.92 3.434944827e-01 3.434944827e-01 1.763455053e+00 1.763455053e+00 -1.091549434e-01 -1.091549434e-01 2.487666160e+00 2.487666160e+00 1.94 -1.640833872e-01 -1.640833872e-01 1.021952899e+00 1.021952899e+00 -5.176398855e-01 -5.176398855e-01 1.780756108e+00 1.780756108e+00 1.96 -6.148056760e-01 -6.148056760e-01 3.537096602e-01 3.537096602e-01 -8.806476396e-01 -8.806476396e-01 1.135428616e+00 1.135428616e+00 1.98 -1.012387186e+00 -1.012387186e+00 -2.457559692e-01 -2.457559692e-01 -1.201308385e+00 -1.201308385e+00 5.471838395e-01 5.471838395e-01 2.00 -1.362573990e+00 -1.362573990e+00 -7.808329720e-01 -7.808329720e-01 -1.482662152e+00 -1.482662152e+00 1.229289494e-02 1.229289494e-02 2.02 -1.672887396e+00 -1.672887396e+00 -1.255884184e+00 -1.255884184e+00 -1.727779982e+00 -1.727779982e+00 -4.729273492e-01 -4.729273492e-01 2.04 -1.947811767e+00 -1.947811767e+00 -1.675053037e+00 -1.675053037e+00 -1.939876123e+00 -1.939876123e+00 -9.115841778e-01 -9.115841778e-01 2.06 -2.190089728e+00 -2.190089728e+00 -2.041609025e+00 -2.041609025e+00 -2.121226854e+00 -2.121226854e+00 -1.306962530e+00 -1.306962530e+00 2.08 -2.402411716e+00 -2.402411716e+00 -2.358757248e+00 -2.358757248e+00 -2.273923004e+00 -2.273923004e+00 -1.662499726e+00 -1.662499726e+00 2.10 -2.587628817e+00 -2.587628817e+00 -2.629567989e+00 -2.629567989e+00 -2.399864117e+00 -2.399864117e+00 -1.981430887e+00 -1.981430887e+00 2.12 -2.748725452e+00 -2.748725452e+00 -2.858859812e+00 -2.858859812e+00 -2.501950327e+00 -2.501950327e+00 -2.267146725e+00 -2.267146725e+00 2.14 -2.888866570e+00 -2.888866570e+00 -3.053465267e+00 -3.053465267e+00 -2.583888429e+00 -2.583888429e+00 -2.523174152e+00 -2.523174152e+00 2.16 -3.011939345e+00 -3.011939345e+00 -3.221624634e+00 -3.221624634e+00 -2.649422394e+00 -2.649422394e+00 -2.754229343e+00 -2.754229343e+00 2.18 -3.122130601e+00 -3.122130601e+00 -3.370228328e+00 -3.370228328e+00 -2.702290633e+00 -2.702290633e+00 -2.967089507e+00 -2.967089507e+00 2.20 -3.223983920e+00 -3.223983920e+00 -3.506533863e+00 -3.506533863e+00 -2.746201849e+00 -2.746201849e+00 -3.167781524e+00 -3.167781524e+00 2.22 -3.321472455e+00 -3.321472455e+00 -3.636481065e+00 -3.636481065e+00 -2.783999852e+00 -2.783999852e+00 -3.360800754e+00 -3.360800754e+00 2.24 -3.413234126e+00 -3.413234126e+00 -3.759723893e+00 -3.759723893e+00 -2.815461544e+00 -2.815461544e+00 -3.544350001e+00 -3.544350001e+00 2.26 -3.496984312e+00 -3.496984312e+00 -3.874412840e+00 -3.874412840e+00 -2.840944832e+00 -2.840944832e+00 -3.714838726e+00 -3.714838726e+00 2.28 -3.571024073e+00 -3.571024073e+00 -3.978548751e+00 -3.978548751e+00 -2.859820723e+00 -2.859820723e+00 -3.869179779e+00 -3.869179779e+00 2.30 -3.633786658e+00 -3.633786658e+00 -4.070251981e+00 -4.070251981e+00 -2.871519044e+00 -2.871519044e+00 -4.005121199e+00 -4.005121199e+00 2.32 -3.683772539e+00 -3.683772539e+00 -4.147915778e+00 -4.147915778e+00 -2.875676490e+00 -2.875676490e+00 -4.120546922e+00 -4.120546922e+00 2.34 -3.719877867e+00 -3.719877867e+00 -4.209999519e+00 -4.209999519e+00 -2.871917382e+00 -2.871917382e+00 -4.213356435e+00 -4.213356435e+00 2.36 -3.741041645e+00 -3.741041645e+00 -4.255118544e+00 -4.255118544e+00 -2.859879092e+00 -2.859879092e+00 -4.281789474e+00 -4.281789474e+00 2.38 -3.747342773e+00 -3.747342773e+00 -4.283721759e+00 -4.283721759e+00 -2.839932579e+00 -2.839932579e+00 -4.326465101e+00 -4.326465101e+00 2.40 -3.740528411e+00 -3.740528411e+00 -4.298260126e+00 -4.298260126e+00 -2.813179247e+00 -2.813179247e+00 -4.350337621e+00 -4.350337621e+00 2.42 -3.722149362e+00 -3.722149362e+00 -4.300522824e+00 -4.300522824e+00 -2.780746387e+00 -2.780746387e+00 -4.356604595e+00 -4.356604595e+00 2.44 -3.693868032e+00 -3.693868032e+00 -4.292417981e+00 -4.292417981e+00 -2.743808960e+00 -2.743808960e+00 -4.348602318e+00 -4.348602318e+00 2.46 -3.657426262e+00 -3.657426262e+00 -4.275925893e+00 -4.275925893e+00 -2.703552538e+00 -2.703552538e+00 -4.329587214e+00 -4.329587214e+00 2.48 -3.614526627e+00 -3.614526627e+00 -4.253012067e+00 -4.253012067e+00 -2.661159032e+00 -2.661159032e+00 -4.302731710e+00 -4.302731710e+00 2.50 -3.566781598e+00 -3.566781598e+00 -4.225655665e+00 -4.225655665e+00 -2.617807025e+00 -2.617807025e+00 -4.271146337e+00 -4.271146337e+00 2.52 -3.516001278e+00 -3.516001278e+00 -4.195434755e+00 -4.195434755e+00 -2.574380407e+00 -2.574380407e+00 -4.237523137e+00 -4.237523137e+00 2.54 -3.463737523e+00 -3.463737523e+00 -4.162322323e+00 -4.162322323e+00 -2.530917319e+00 -2.530917319e+00 -4.202795226e+00 -4.202795226e+00 2.56 -3.410136215e+00 -3.410136215e+00 -4.125905740e+00 -4.125905740e+00 -2.487351139e+00 -2.487351139e+00 -4.167193529e+00 -4.167193529e+00 2.58 -3.355296137e+00 -3.355296137e+00 -4.085770904e+00 -4.085770904e+00 -2.443607250e+00 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