# 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 = 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 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 2.439216403e+02 2.439216403e+02 nan nan 0.86 nan nan nan nan 2.213013471e+02 2.213013471e+02 nan nan 0.88 nan nan nan nan 2.010365690e+02 2.010365690e+02 nan nan 0.90 nan nan nan nan 1.828356039e+02 1.828356039e+02 nan nan 0.92 nan nan nan nan 1.662665792e+02 1.662665792e+02 nan nan 0.94 nan nan nan nan 1.514680346e+02 1.514680346e+02 nan nan 0.96 2.402030442e+02 2.402030442e+02 nan nan 1.379993340e+02 1.379993340e+02 nan nan 0.98 2.197454050e+02 2.197454050e+02 nan nan 1.256271011e+02 1.256271011e+02 nan nan 1.00 2.012918788e+02 2.012918788e+02 nan nan 1.146469746e+02 1.146469746e+02 nan nan 1.02 1.840517610e+02 1.840517610e+02 nan nan 1.045074743e+02 1.045074743e+02 nan nan 1.04 1.686788127e+02 1.686788127e+02 nan nan 9.521202280e+01 9.521202280e+01 nan nan 1.06 1.544120943e+02 1.544120943e+02 nan nan 8.690529946e+01 8.690529946e+01 nan nan 1.08 1.414406073e+02 1.414406073e+02 2.055284692e+02 2.055284692e+02 7.947125222e+01 7.947125222e+01 2.217222302e+02 2.217222302e+02 1.10 1.297566739e+02 1.297566739e+02 1.893332540e+02 1.893332540e+02 7.256949445e+01 7.256949445e+01 2.043252556e+02 2.043252556e+02 1.12 1.187545981e+02 1.187545981e+02 1.741618331e+02 1.741618331e+02 6.623130525e+01 6.623130525e+01 1.882604685e+02 1.882604685e+02 1.14 1.086414546e+02 1.086414546e+02 1.601414317e+02 1.601414317e+02 6.036266616e+01 6.036266616e+01 1.735240489e+02 1.735240489e+02 1.16 9.955607347e+01 9.955607347e+01 1.474272741e+02 1.474272741e+02 5.509500779e+01 5.509500779e+01 1.599446793e+02 1.599446793e+02 1.18 9.130786248e+01 9.130786248e+01 1.356446788e+02 1.356446788e+02 5.028428424e+01 5.028428424e+01 1.474934067e+02 1.474934067e+02 1.20 8.347148344e+01 8.347148344e+01 1.251678610e+02 1.251678610e+02 4.594302970e+01 4.594302970e+01 1.358949493e+02 1.358949493e+02 1.22 7.640236139e+01 7.640236139e+01 1.151404073e+02 1.151404073e+02 4.192659859e+01 4.192659859e+01 1.253675215e+02 1.253675215e+02 1.24 7.006363941e+01 7.006363941e+01 1.058066132e+02 1.058066132e+02 3.815807030e+01 3.815807030e+01 1.154891736e+02 1.154891736e+02 1.26 6.403194077e+01 6.403194077e+01 9.741240850e+01 9.741240850e+01 3.475141159e+01 3.475141159e+01 1.064819023e+02 1.064819023e+02 1.28 5.845415185e+01 5.845415185e+01 8.954252862e+01 8.954252862e+01 3.165555142e+01 3.165555142e+01 9.808854404e+01 9.808854404e+01 1.30 5.337585028e+01 5.337585028e+01 8.232012752e+01 8.232012752e+01 2.888657474e+01 2.888657474e+01 9.026532008e+01 9.026532008e+01 1.32 4.861971188e+01 4.861971188e+01 7.552112869e+01 7.552112869e+01 2.621815236e+01 2.621815236e+01 8.306576750e+01 8.306576750e+01 1.34 4.424764066e+01 4.424764066e+01 6.950299690e+01 6.950299690e+01 2.381939847e+01 2.381939847e+01 7.638165520e+01 7.638165520e+01 1.36 4.031170351e+01 4.031170351e+01 6.367612855e+01 6.367612855e+01 2.157563682e+01 2.157563682e+01 7.023002036e+01 7.023002036e+01 1.38 3.678506646e+01 3.678506646e+01 5.831570455e+01 5.831570455e+01 1.954092342e+01 1.954092342e+01 6.456658736e+01 6.456658736e+01 1.40 3.335335878e+01 3.335335878e+01 5.334114159e+01 5.334114159e+01 1.765404499e+01 1.765404499e+01 5.932524563e+01 5.932524563e+01 1.42 3.028440664e+01 3.028440664e+01 4.874396081e+01 4.874396081e+01 1.592425149e+01 1.592425149e+01 5.447184554e+01 5.447184554e+01 1.44 2.737056090e+01 2.737056090e+01 4.474452277e+01 4.474452277e+01 1.446314670e+01 1.446314670e+01 4.987346771e+01 4.987346771e+01 1.46 2.477586482e+01 2.477586482e+01 4.097322973e+01 4.097322973e+01 1.318009094e+01 1.318009094e+01 4.566109778e+01 4.566109778e+01 1.48 2.230037724e+01 2.230037724e+01 3.729510095e+01 3.729510095e+01 1.181319391e+01 1.181319391e+01 4.185021521e+01 4.185021521e+01 1.50 2.015239885e+01 2.015239885e+01 3.389522018e+01 3.389522018e+01 1.056031931e+01 1.056031931e+01 3.819973914e+01 3.819973914e+01 1.52 1.804403483e+01 1.804403483e+01 3.084256347e+01 3.084256347e+01 9.411919665e+00 9.411919665e+00 3.488835970e+01 3.488835970e+01 1.54 1.628033575e+01 1.628033575e+01 2.810249709e+01 2.810249709e+01 8.446812711e+00 8.446812711e+00 3.174894495e+01 3.174894495e+01 1.56 1.447952786e+01 1.447952786e+01 2.538954908e+01 2.538954908e+01 7.472886395e+00 7.472886395e+00 2.885115486e+01 2.885115486e+01 1.58 1.284744374e+01 1.284744374e+01 2.291286156e+01 2.291286156e+01 6.610987189e+00 6.610987189e+00 2.621997639e+01 2.621997639e+01 1.60 1.132466607e+01 1.132466607e+01 2.059304950e+01 2.059304950e+01 5.790462826e+00 5.790462826e+00 2.374923868e+01 2.374923868e+01 1.62 9.926075189e+00 9.926075189e+00 1.844976852e+01 1.844976852e+01 5.039042969e+00 5.039042969e+00 2.140427582e+01 2.140427582e+01 1.64 8.642007694e+00 8.642007694e+00 1.646992980e+01 1.646992980e+01 4.351110193e+00 4.351110193e+00 1.923463381e+01 1.923463381e+01 1.66 7.463586694e+00 7.463586694e+00 1.472831567e+01 1.472831567e+01 3.721527373e+00 3.721527373e+00 1.722750888e+01 1.722750888e+01 1.68 6.382652155e+00 6.382652155e+00 1.311790629e+01 1.311790629e+01 3.188719042e+00 3.188719042e+00 1.543034198e+01 1.543034198e+01 1.70 5.564561841e+00 5.564561841e+00 1.154375198e+01 1.154375198e+01 2.657960068e+00 2.657960068e+00 1.382518997e+01 1.382518997e+01 1.72 4.640168361e+00 4.640168361e+00 1.009169859e+01 1.009169859e+01 2.173001031e+00 2.173001031e+00 1.222200576e+01 1.222200576e+01 1.74 3.794055016e+00 3.794055016e+00 8.840127084e+00 8.840127084e+00 1.817460793e+00 1.817460793e+00 1.079934962e+01 1.079934962e+01 1.76 3.108168726e+00 3.108168726e+00 7.598124477e+00 7.598124477e+00 1.405291431e+00 1.405291431e+00 9.425967147e+00 9.425967147e+00 1.78 2.392934468e+00 2.392934468e+00 6.454267272e+00 6.454267272e+00 1.029590805e+00 1.029590805e+00 8.276592213e+00 8.276592213e+00 1.80 1.740063377e+00 1.740063377e+00 5.401453603e+00 5.401453603e+00 6.874613095e-01 6.874613095e-01 7.096223135e+00 7.096223135e+00 1.82 1.175837253e+00 1.175837253e+00 4.549599443e+00 4.549599443e+00 3.762408423e-01 3.762408423e-01 6.038106725e+00 6.038106725e+00 1.84 6.309593045e-01 6.309593045e-01 3.649302465e+00 3.649302465e+00 9.348240979e-02 9.348240979e-02 5.032746724e+00 5.032746724e+00 1.86 1.354191780e-01 1.354191780e-01 2.996854421e+00 2.996854421e+00 -7.596741027e-02 -7.596741027e-02 4.166467939e+00 4.166467939e+00 1.88 -3.145671043e-01 -3.145671043e-01 2.223293965e+00 2.223293965e+00 -3.160052112e-01 -3.160052112e-01 3.309713446e+00 3.309713446e+00 1.90 -6.291632989e-01 -6.291632989e-01 1.514488931e+00 1.514488931e+00 -5.331415621e-01 -5.331415621e-01 2.580895868e+00 2.580895868e+00 1.92 -1.006213976e+00 -1.006213976e+00 8.657569805e-01 8.657569805e-01 -7.291895062e-01 -7.291895062e-01 1.883983319e+00 1.883983319e+00 1.94 -1.346750058e+00 -1.346750058e+00 3.174320969e-01 3.174320969e-01 -8.611413065e-01 -8.611413065e-01 1.213405754e+00 1.213405754e+00 1.96 -1.653590623e+00 -1.653590623e+00 -2.276200532e-01 -2.276200532e-01 -1.023638972e+00 -1.023638972e+00 6.286599877e-01 6.286599877e-01 1.98 -1.929343024e+00 -1.929343024e+00 -7.244031478e-01 -7.244031478e-01 -1.169362296e+00 -1.169362296e+00 6.396566449e-02 6.396566449e-02 2.00 -2.085680400e+00 -2.085680400e+00 -1.176418587e+00 -1.176418587e+00 -1.299645268e+00 -1.299645268e+00 -4.520528422e-01 -4.520528422e-01 2.02 -2.313692342e+00 -2.313692342e+00 -1.586918746e+00 -1.586918746e+00 -1.415718285e+00 -1.415718285e+00 -9.228595928e-01 -9.228595928e-01 2.04 -2.516728460e+00 -2.516728460e+00 -1.958925556e+00 -1.958925556e+00 -1.518716546e+00 -1.518716546e+00 -1.245562784e+00 -1.245562784e+00 2.06 -2.696749371e+00 -2.696749371e+00 -2.295247581e+00 -2.295247581e+00 -1.609687721e+00 -1.609687721e+00 -1.643852833e+00 -1.643852833e+00 2.08 -2.855570174e+00 -2.855570174e+00 -2.598495727e+00 -2.598495727e+00 -1.689598961e+00 -1.689598961e+00 -2.005265085e+00 -2.005265085e+00 2.10 -2.931102785e+00 -2.931102785e+00 -2.787866730e+00 -2.787866730e+00 -1.720040770e+00 -1.720040770e+00 -2.316103590e+00 -2.316103590e+00 2.12 -3.008340731e+00 -3.008340731e+00 -3.000251153e+00 -3.000251153e+00 -1.762215485e+00 -1.762215485e+00 -2.599102304e+00 -2.599102304e+00 2.14 -3.121505061e+00 -3.121505061e+00 -3.227081199e+00 -3.227081199e+00 -1.818489885e+00 -1.818489885e+00 -2.867279000e+00 -2.867279000e+00 2.16 -3.218838924e+00 -3.218838924e+00 -3.428890532e+00 -3.428890532e+00 -1.866544901e+00 -1.866544901e+00 -3.093127041e+00 -3.093127041e+00 2.18 -3.301628172e+00 -3.301628172e+00 -3.607549860e+00 -3.607549860e+00 -1.907057433e+00 -1.907057433e+00 -3.279873847e+00 -3.279873847e+00 2.20 -3.371063825e+00 -3.371063825e+00 -3.764799755e+00 -3.764799755e+00 -1.940653129e+00 -1.940653129e+00 -3.474671301e+00 -3.474671301e+00 2.22 -3.428249075e+00 -3.428249075e+00 -3.902259870e+00 -3.902259870e+00 -1.967910342e+00 -1.967910342e+00 -3.647330005e+00 -3.647330005e+00 2.24 -3.429507856e+00 -3.429507856e+00 -3.932041647e+00 -3.932041647e+00 -1.899967943e+00 -1.899967943e+00 -3.799487929e+00 -3.799487929e+00 2.26 -3.468448304e+00 -3.468448304e+00 -4.040871179e+00 -4.040871179e+00 -1.922643642e+00 -1.922643642e+00 -3.932671178e+00 -3.932671178e+00 2.28 -3.497745517e+00 -3.497745517e+00 -4.133650987e+00 -4.133650987e+00 -1.939991529e+00 -1.939991529e+00 -4.048301741e+00 -4.048301741e+00 2.30 -3.518228501e+00 -3.518228501e+00 -4.211630478e+00 -4.211630478e+00 -1.952468597e+00 -1.952468597e+00 -4.147704672e+00 -4.147704672e+00 2.32 -3.530664987e+00 -3.530664987e+00 -4.275972422e+00 -4.275972422e+00 -1.960497549e+00 -1.960497549e+00 -4.164997797e+00 -4.164997797e+00 2.34 -3.535765879e+00 -3.535765879e+00 -4.327758932e+00 -4.327758932e+00 -1.964469365e+00 -1.964469365e+00 -4.240307759e+00 -4.240307759e+00 2.36 -3.534189363e+00 -3.534189363e+00 -4.367997012e+00 -4.367997012e+00 -1.964745663e+00 -1.964745663e+00 -4.243718005e+00 -4.243718005e+00 2.38 -3.526544712e+00 -3.526544712e+00 -4.397623709e+00 -4.397623709e+00 -1.961660880e+00 -1.961660880e+00 -4.297934950e+00 -4.297934950e+00 2.40 -3.513395814e+00 -3.513395814e+00 -4.417510895e+00 -4.417510895e+00 -1.955524284e+00 -1.955524284e+00 -4.340739901e+00 -4.340739901e+00 2.42 -3.495264433e+00 -3.495264433e+00 -4.428469710e+00 -4.428469710e+00 -1.946621834e+00 -1.946621834e+00 -4.313320843e+00 -4.313320843e+00 2.44 -3.472633233e+00 -3.472633233e+00 -4.337485043e+00 -4.337485043e+00 -1.935217897e+00 -1.935217897e+00 -4.340012616e+00 -4.340012616e+00 2.46 -3.445948584e+00 -3.445948584e+00 -4.339071444e+00 -4.339071444e+00 -1.921556828e+00 -1.921556828e+00 -4.357558832e+00 -4.357558832e+00 2.48 -3.415623157e+00 -3.415623157e+00 -4.333420346e+00 -4.333420346e+00 -1.905864447e+00 -1.905864447e+00 -4.366711374e+00 -4.366711374e+00 2.50 -3.382038337e+00 -3.382038337e+00 -4.321166101e+00 -4.321166101e+00 -1.888349381e+00 -1.888349381e+00 -4.368170546e+00 -4.368170546e+00 2.52 -3.345546457e+00 -3.345546457e+00 -4.214476624e+00 -4.214476624e+00 -1.824993400e+00 -1.824993400e+00 -4.362588493e+00 -4.362588493e+00 2.54 -3.306472872e+00 -3.306472872e+00 -4.196520378e+00 -4.196520378e+00 -1.807284561e+00 -1.807284561e+00 -4.319344510e+00 -4.319344510e+00 2.56 -3.265117883e+00 -3.265117883e+00 -4.173232451e+00 -4.173232451e+00 -1.788099933e+00 -1.788099933e+00 -4.303469486e+00 -4.303469486e+00 2.58 -3.130424799e+00 -3.130424799e+00 -4.145110337e+00 -4.145110337e+00 -1.767603177e+00 -1.767603177e+00 -4.282122782e+00 -4.282122782e+00 2.60 -3.091124241e+00 -3.091124241e+00 -4.112616215e+00 -4.112616215e+00 -1.745945401e+00 -1.745945401e+00 -4.255801967e+00 -4.255801967e+00 2.62 -3.049942259e+00 -3.049942259e+00 -4.076179303e+00 -4.076179303e+00 -1.723266054e+00 -1.723266054e+00 -4.224969896e+00 -4.224969896e+00 2.64 -3.007118696e+00 -3.007118696e+00 -4.036198057e+00 -4.036198057e+00 -1.699693769e+00 -1.699693769e+00 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