# 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 = 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 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 2.467820652e+02 2.467820652e+02 nan nan 0.86 nan nan nan nan 2.237706147e+02 2.237706147e+02 nan nan 0.88 nan nan nan nan 2.031551222e+02 2.031551222e+02 nan nan 0.90 nan nan nan nan 1.846400076e+02 1.846400076e+02 nan nan 0.92 nan nan nan nan 1.678093180e+02 1.678093180e+02 nan nan 0.94 nan nan nan nan 1.527644608e+02 1.527644608e+02 nan nan 0.96 2.424392934e+02 2.424392934e+02 nan nan 1.390871187e+02 1.390871187e+02 nan nan 0.98 2.216303443e+02 2.216303443e+02 nan nan 1.265481538e+02 1.265481538e+02 nan nan 1.00 2.028484077e+02 2.028484077e+02 nan nan 1.153988854e+02 1.153988854e+02 nan nan 1.02 1.853577304e+02 1.853577304e+02 nan nan 1.051275471e+02 1.051275471e+02 nan nan 1.04 1.697285435e+02 1.697285435e+02 nan nan 9.572475062e+01 9.572475062e+01 nan nan 1.06 1.552570299e+02 1.552570299e+02 nan nan 8.731040985e+01 8.731040985e+01 nan nan 1.08 1.420983868e+02 1.420983868e+02 2.069591675e+02 2.069591675e+02 7.976897099e+01 7.976897099e+01 2.234332968e+02 2.234332968e+02 1.10 1.302312734e+02 1.302312734e+02 1.904857017e+02 1.904857017e+02 7.278567783e+01 7.278567783e+01 2.057486761e+02 2.057486761e+02 1.12 1.190969174e+02 1.190969174e+02 1.750940072e+02 1.750940072e+02 6.638044731e+01 6.638044731e+01 1.894340474e+02 1.894340474e+02 1.14 1.088716007e+02 1.088716007e+02 1.608854016e+02 1.608854016e+02 6.046209342e+01 6.046209342e+01 1.744704076e+02 1.744704076e+02 1.16 9.967029916e+01 9.967029916e+01 1.479867713e+02 1.479867713e+02 5.514306276e+01 5.514306276e+01 1.606896327e+02 1.606896327e+02 1.18 9.131241010e+01 9.131241010e+01 1.360478046e+02 1.360478046e+02 5.028753705e+01 5.028753705e+01 1.480529958e+02 1.480529958e+02 1.20 8.340551717e+01 8.340551717e+01 1.253961589e+02 1.253961589e+02 4.590248207e+01 4.590248207e+01 1.363011316e+02 1.363011316e+02 1.22 7.626384341e+01 7.626384341e+01 1.152484574e+02 1.152484574e+02 4.185224770e+01 4.185224770e+01 1.256209303e+02 1.256209303e+02 1.24 6.984688918e+01 6.984688918e+01 1.058175352e+02 1.058175352e+02 3.806389156e+01 3.806389156e+01 1.156225200e+02 1.156225200e+02 1.26 6.376728062e+01 6.376728062e+01 9.731762103e+01 9.731762103e+01 3.463687369e+01 3.463687369e+01 1.064981567e+02 1.064981567e+02 1.28 5.815213302e+01 5.815213302e+01 8.936637138e+01 8.936637138e+01 3.152164639e+01 3.152164639e+01 9.800817027e+01 9.800817027e+01 1.30 5.303779639e+01 5.303779639e+01 8.206867745e+01 8.206867745e+01 2.872967748e+01 2.872967748e+01 9.010652655e+01 9.010652655e+01 1.32 4.826013262e+01 4.826013262e+01 7.521693965e+01 7.521693965e+01 2.605454410e+01 2.605454410e+01 8.283535250e+01 8.283535250e+01 1.34 4.387099608e+01 4.387099608e+01 6.912803657e+01 6.912803657e+01 2.364649713e+01 2.364649713e+01 7.609158322e+01 7.609158322e+01 1.36 3.991354302e+01 3.991354302e+01 6.326532870e+01 6.326532870e+01 2.139976876e+01 2.139976876e+01 6.988524480e+01 6.988524480e+01 1.38 3.636068953e+01 3.636068953e+01 5.787284919e+01 5.787284919e+01 1.936128281e+01 1.936128281e+01 6.417181010e+01 6.417181010e+01 1.40 3.292509434e+01 3.292509434e+01 5.287389981e+01 5.287389981e+01 1.747411118e+01 1.747411118e+01 5.888768382e+01 5.888768382e+01 1.42 2.984610789e+01 2.984610789e+01 4.825713354e+01 4.825713354e+01 1.574500585e+01 1.574500585e+01 5.399779494e+01 5.399779494e+01 1.44 2.693403015e+01 2.693403015e+01 4.421791931e+01 4.421791931e+01 1.427318090e+01 1.427318090e+01 4.937884966e+01 4.937884966e+01 1.46 2.433462972e+01 2.433462972e+01 4.041933928e+01 4.041933928e+01 1.297530229e+01 1.297530229e+01 4.514587601e+01 4.514587601e+01 1.48 2.186526691e+01 2.186526691e+01 3.673716869e+01 3.673716869e+01 1.161406781e+01 1.161406781e+01 4.130987366e+01 4.130987366e+01 1.50 1.971192057e+01 1.971192057e+01 3.333603462e+01 3.333603462e+01 1.036714640e+01 1.036714640e+01 3.765050038e+01 3.765050038e+01 1.52 1.761340886e+01 1.761340886e+01 3.027568081e+01 3.027568081e+01 9.224928647e+00 9.224928647e+00 3.432663829e+01 3.432663829e+01 1.54 1.584343330e+01 1.584343330e+01 2.752281957e+01 2.752281957e+01 8.257661949e+00 8.257661949e+00 3.118505487e+01 3.118505487e+01 1.56 1.405565128e+01 1.405565128e+01 2.481750886e+01 2.481750886e+01 7.290976504e+00 7.290976504e+00 2.828672366e+01 2.828672366e+01 1.58 1.243483126e+01 1.243483126e+01 2.234698266e+01 2.234698266e+01 6.433334425e+00 6.433334425e+00 2.565213389e+01 2.565213389e+01 1.60 1.092614551e+01 1.092614551e+01 2.003792516e+01 2.003792516e+01 5.620318283e+00 5.620318283e+00 2.318350156e+01 2.318350156e+01 1.62 9.541912974e+00 9.541912974e+00 1.790652841e+01 1.790652841e+01 4.876346649e+00 4.876346649e+00 2.084822390e+01 2.084822390e+01 1.64 8.272383499e+00 8.272383499e+00 1.593954135e+01 1.593954135e+01 4.195780195e+00 4.195780195e+00 1.868945047e+01 1.868945047e+01 1.66 7.108602990e+00 7.108602990e+00 1.420295723e+01 1.420295723e+01 3.573463117e+00 3.573463117e+00 1.669421634e+01 1.669421634e+01 1.68 6.042342859e+00 6.042342859e+00 1.259920705e+01 1.259920705e+01 3.043597694e+00 3.043597694e+00 1.490406398e+01 1.490406398e+01 1.70 5.221685341e+00 5.221685341e+00 1.104132219e+01 1.104132219e+01 2.520203570e+00 2.520203570e+00 1.330143556e+01 1.330143556e+01 1.72 4.313252648e+00 4.313252648e+00 9.605884277e+00 9.605884277e+00 2.042441377e+00 2.042441377e+00 1.171373706e+01 1.171373706e+01 1.74 3.482864839e+00 3.482864839e+00 8.362503899e+00 8.362503899e+00 1.685244931e+00 1.685244931e+00 1.030127659e+01 1.030127659e+01 1.76 2.803882639e+00 2.803882639e+00 7.138226083e+00 7.138226083e+00 1.280602145e+00 1.280602145e+00 8.944541245e+00 8.944541245e+00 1.78 2.104476962e+00 2.104476962e+00 6.012136668e+00 6.012136668e+00 9.121910988e-01 9.121910988e-01 7.800269547e+00 7.800269547e+00 1.80 1.467062596e+00 1.467062596e+00 4.977069852e+00 4.977069852e+00 5.771146980e-01 5.771146980e-01 6.637758674e+00 6.637758674e+00 1.82 9.148483982e-01 9.148483982e-01 4.131424392e+00 4.131424392e+00 2.727121980e-01 2.727121980e-01 5.594566499e+00 5.594566499e+00 1.84 3.848650632e-01 3.848650632e-01 3.249526008e+00 3.249526008e+00 -3.461327011e-03 -3.461327011e-03 4.607194731e+00 4.607194731e+00 1.86 -9.620970211e-02 -9.620970211e-02 2.598276904e+00 2.598276904e+00 -1.750387510e-01 -1.750387510e-01 3.752883705e+00 3.752883705e+00 1.88 -5.321666946e-01 -5.321666946e-01 1.843869090e+00 1.843869090e+00 -4.083188635e-01 -4.083188635e-01 2.914233113e+00 2.914233113e+00 1.90 -8.421632052e-01 -8.421632052e-01 1.153824541e+00 1.153824541e+00 -6.189659149e-01 -6.189659149e-01 2.197565529e+00 2.197565529e+00 1.92 -1.205420580e+00 -1.205420580e+00 5.234396405e-01 5.234396405e-01 -8.087860882e-01 -8.087860882e-01 1.515569238e+00 1.515569238e+00 1.94 -1.532651385e+00 -1.532651385e+00 -1.139487642e-02 -1.139487642e-02 -9.391901355e-01 -9.391901355e-01 8.628607100e-01 8.628607100e-01 1.96 -1.826670855e+00 -1.826670855e+00 -5.386631463e-01 -5.386631463e-01 -1.095648215e+00 -1.095648215e+00 2.926699033e-01 2.926699033e-01 1.98 -2.090081219e+00 -2.090081219e+00 -1.018141120e+00 -1.018141120e+00 -1.235593585e+00 -1.235593585e+00 -2.547142895e-01 -2.547142895e-01 2.00 -2.243515011e+00 -2.243515011e+00 -1.453338002e+00 -1.453338002e+00 -1.360351837e+00 -1.360351837e+00 -7.538428210e-01 -7.538428210e-01 2.02 -2.459507420e+00 -2.459507420e+00 -1.847511686e+00 -1.847511686e+00 -1.471145072e+00 -1.471145072e+00 -1.208190949e+00 -1.208190949e+00 2.04 -2.651021918e+00 -2.651021918e+00 -2.203687565e+00 -2.203687565e+00 -1.569100319e+00 -1.569100319e+00 -1.525231907e+00 -1.525231907e+00 2.06 -2.820007977e+00 -2.820007977e+00 -2.524675816e+00 -2.524675816e+00 -1.655257219e+00 -1.655257219e+00 -1.907251704e+00 -1.907251704e+00 2.08 -2.968269080e+00 -2.968269080e+00 -2.813087299e+00 -2.813087299e+00 -1.730575054e+00 -1.730575054e+00 -2.252890107e+00 -2.252890107e+00 2.10 -3.039844760e+00 -3.039844760e+00 -2.996130638e+00 -2.996130638e+00 -1.760420650e+00 -1.760420650e+00 -2.550025070e+00 -2.550025070e+00 2.12 -3.111817968e+00 -3.111817968e+00 -3.197875166e+00 -3.197875166e+00 -1.800247704e+00 -1.800247704e+00 -2.819473880e+00 -2.819473880e+00 2.14 -3.215085013e+00 -3.215085013e+00 -3.410609490e+00 -3.410609490e+00 -1.852177809e+00 -1.852177809e+00 -3.073177756e+00 -3.073177756e+00 2.16 -3.302990588e+00 -3.302990588e+00 -3.598852796e+00 -3.598852796e+00 -1.896102737e+00 -1.896102737e+00 -3.286523323e+00 -3.286523323e+00 2.18 -3.376805355e+00 -3.376805355e+00 -3.764467121e+00 -3.764467121e+00 -1.932691100e+00 -1.932691100e+00 -3.462630174e+00 -3.462630174e+00 2.20 -3.437705233e+00 -3.437705233e+00 -3.909183686e+00 -3.909183686e+00 -1.962560514e+00 -1.962560514e+00 -3.644165782e+00 -3.644165782e+00 2.22 -3.486778455e+00 -3.486778455e+00 -4.034612203e+00 -4.034612203e+00 -1.986281548e+00 -1.986281548e+00 -3.804061268e+00 -3.804061268e+00 2.24 -3.484761315e+00 -3.484761315e+00 -4.061707969e+00 -4.061707969e+00 -1.923839842e+00 -1.923839842e+00 -3.943945915e+00 -3.943945915e+00 2.26 -3.516119917e+00 -3.516119917e+00 -4.158931311e+00 -4.158931311e+00 -1.942790906e+00 -1.942790906e+00 -4.065336594e+00 -4.065336594e+00 2.28 -3.538231390e+00 -3.538231390e+00 -4.240606298e+00 -4.240606298e+00 -1.956614536e+00 -1.956614536e+00 -4.169645594e+00 -4.169645594e+00 2.30 -3.551909793e+00 -3.551909793e+00 -4.307969138e+00 -4.307969138e+00 -1.965759191e+00 -1.965759191e+00 -4.258187878e+00 -4.258187878e+00 2.32 -3.557908231e+00 -3.557908231e+00 -4.362169269e+00 -4.362169269e+00 -1.970639351e+00 -1.970639351e+00 -4.271594681e+00 -4.271594681e+00 2.34 -3.556923314e+00 -3.556923314e+00 -4.404275388e+00 -4.404275388e+00 -1.971638077e+00 -1.971638077e+00 -4.336544540e+00 -4.336544540e+00 2.36 -3.549599281e+00 -3.549599281e+00 -4.435281049e+00 -4.435281049e+00 -1.969109359e+00 -1.969109359e+00 -4.335882081e+00 -4.335882081e+00 2.38 -3.536531812e+00 -3.536531812e+00 -4.456109860e+00 -4.456109860e+00 -1.963380294e+00 -1.963380294e+00 -4.380285950e+00 -4.380285950e+00 2.40 -3.518271566e+00 -3.518271566e+00 -4.467620298e+00 -4.467620298e+00 -1.954753091e+00 -1.954753091e+00 -4.413723716e+00 -4.413723716e+00 2.42 -3.495327443e+00 -3.495327443e+00 -4.470610193e+00 -4.470610193e+00 -1.943506918e+00 -1.943506918e+00 -4.383159930e+00 -4.383159930e+00 2.44 -3.468169617e+00 -3.468169617e+00 -4.381266870e+00 -4.381266870e+00 -1.929899612e+00 -1.929899612e+00 -4.401004484e+00 -4.401004484e+00 2.46 -3.437232336e+00 -3.437232336e+00 -4.375141174e+00 -4.375141174e+00 -1.914169257e+00 -1.914169257e+00 -4.410127928e+00 -4.410127928e+00 2.48 -3.402916524e+00 -3.402916524e+00 -4.362174495e+00 -4.362174495e+00 -1.896535641e+00 -1.896535641e+00 -4.411268235e+00 -4.411268235e+00 2.50 -3.365592185e+00 -3.365592185e+00 -4.342987114e+00 -4.342987114e+00 -1.877201604e+00 -1.877201604e+00 -4.405111978e+00 -4.405111978e+00 2.52 -3.325600640e+00 -3.325600640e+00 -4.238323551e+00 -4.238323551e+00 -1.816438564e+00 -1.816438564e+00 -4.392297773e+00 -4.392297773e+00 2.54 -3.283256595e+00 -3.283256595e+00 -4.213683249e+00 -4.213683249e+00 -1.796901500e+00 -1.796901500e+00 -4.345261126e+00 -4.345261126e+00 2.56 -3.238850060e+00 -3.238850060e+00 -4.184078080e+00 -4.184078080e+00 -1.776007378e+00 -1.776007378e+00 -4.322714426e+00 -4.322714426e+00 2.58 -3.110329233e+00 -3.110329233e+00 -4.149991356e+00 -4.149991356e+00 -1.753914336e+00 -1.753914336e+00 -4.295048693e+00 -4.295048693e+00 2.60 -3.067902286e+00 -3.067902286e+00 -4.111871424e+00 -4.111871424e+00 -1.730768176e+00 -1.730768176e+00 -4.262748532e+00 -4.262748532e+00 2.62 -3.023808703e+00 -3.023808703e+00 -4.070134028e+00 -4.070134028e+00 -1.706703262e+00 -1.706703262e+00 -4.226264114e+00 -4.226264114e+00 2.64 -2.978278265e+00 -2.978278265e+00 -4.025164502e+00 -4.025164502e+00 -1.681843341e+00 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-1.476117376e+00 -3.780696418e+00 -3.780696418e+00 2.80 -2.584387522e+00 -2.584387522e+00 -3.569917746e+00 -3.569917746e+00 -1.449404898e+00 -1.449404898e+00 -3.725053712e+00 -3.725053712e+00 2.82 -2.449759377e+00 -2.449759377e+00 -3.510127276e+00 -3.510127276e+00 -1.422576765e+00 -1.422576765e+00 -3.668094078e+00 -3.668094078e+00 2.84 -2.404007728e+00 -2.404007728e+00 -3.449613192e+00 -3.449613192e+00 -1.395688907e+00 -1.395688907e+00 -3.610021961e+00 -3.610021961e+00 2.86 -2.358089684e+00 -2.358089684e+00 -3.388539524e+00 -3.388539524e+00 -1.368792376e+00 -1.368792376e+00 -3.551026119e+00 -3.551026119e+00 2.88 -2.312101100e+00 -2.312101100e+00 -3.327056995e+00 -3.327056995e+00 -1.341933693e+00 -1.341933693e+00 -3.491280674e+00 -3.491280674e+00 2.90 -2.266129381e+00 -2.266129381e+00 -3.265303929e+00 -3.265303929e+00 -1.315155183e+00 -1.315155183e+00 -3.430946091e+00 -3.430946091e+00 2.92 -2.220254091e+00 -2.220254091e+00 -3.203407105e+00 -3.203407105e+00 -1.288495275e+00 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