# 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 = Al2CrNi # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.456569798e+02 2.456569798e+02 1.10 2.273953184e+02 2.273953184e+02 1.12 2.101481723e+02 2.101481723e+02 1.14 1.941386482e+02 1.941386482e+02 1.16 1.796484755e+02 1.796484755e+02 1.18 1.661701699e+02 1.661701699e+02 1.20 1.542896158e+02 1.542896158e+02 1.22 1.427558493e+02 1.427558493e+02 1.24 1.319532247e+02 1.319532247e+02 1.26 1.222288820e+02 1.222288599e+02 1.28 1.131537130e+02 1.131537130e+02 1.30 1.047730301e+02 1.047730301e+02 1.32 9.680473684e+01 9.680473684e+01 1.34 8.982769884e+01 8.982769884e+01 1.36 8.294810848e+01 8.294810848e+01 1.38 7.660678911e+01 7.660678911e+01 1.40 7.069273400e+01 7.069273400e+01 1.42 6.520750365e+01 6.520750365e+01 1.44 6.048966256e+01 6.048966256e+01 1.46 5.601944595e+01 5.601944595e+01 1.48 5.156899867e+01 5.156899867e+01 1.50 4.743770288e+01 4.743770288e+01 1.52 4.374459921e+01 4.374459921e+01 1.54 4.042769974e+01 4.042769974e+01 1.56 3.708030142e+01 3.708030142e+01 1.58 3.401956536e+01 3.401956536e+01 1.60 3.112739019e+01 3.112739019e+01 1.62 2.844080101e+01 2.844080101e+01 1.64 2.594504190e+01 2.594504190e+01 1.66 2.376448818e+01 2.376448818e+01 1.68 2.172637120e+01 2.172637120e+01 1.70 1.970277530e+01 1.970277530e+01 1.72 1.782357243e+01 1.782357243e+01 1.74 1.621738058e+01 1.621738058e+01 1.76 1.458570515e+01 1.458570515e+01 1.78 1.307131802e+01 1.307131802e+01 1.80 1.166611751e+01 1.166611751e+01 1.82 1.054640477e+01 1.054640477e+01 1.84 9.322814826e+00 9.322814826e+00 1.86 8.446918010e+00 8.446918010e+00 1.88 7.374717188e+00 7.374717188e+00 1.90 6.381916936e+00 6.381916936e+00 1.92 5.463102713e+00 5.463102713e+00 1.94 4.684085491e+00 4.684085491e+00 1.96 3.893110580e+00 3.893110580e+00 1.98 3.162451113e+00 3.162451113e+00 2.00 2.488017577e+00 2.488017577e+00 2.02 1.866000970e+00 1.866000970e+00 2.04 1.292852255e+00 1.292852255e+00 2.06 7.652634474e-01 7.652634474e-01 2.08 2.801502127e-01 2.801502127e-01 2.10 -4.967071053e-02 -4.967017975e-02 2.12 -4.032733819e-01 -4.032733819e-01 2.14 -7.899195709e-01 -7.899195709e-01 2.16 -1.143590090e+00 -1.143590090e+00 2.18 -1.466532797e+00 -1.466532797e+00 2.20 -1.760846803e+00 -1.760846803e+00 2.22 -2.028492719e+00 -2.028492719e+00 2.24 -2.129552706e+00 -2.129552706e+00 2.26 -2.358606137e+00 -2.358606137e+00 2.28 -2.565515652e+00 -2.565515652e+00 2.30 -2.751816381e+00 -2.751816381e+00 2.32 -2.918943354e+00 -2.918943354e+00 2.34 -3.068238159e+00 -3.068238159e+00 2.36 -3.200955141e+00 -3.200955141e+00 2.38 -3.318267157e+00 -3.318267157e+00 2.40 -3.421270931e+00 -3.421270931e+00 2.42 -3.510992040e+00 -3.510992040e+00 2.44 -3.440517015e+00 -3.440517015e+00 2.46 -3.515437557e+00 -3.515437557e+00 2.48 -3.579229749e+00 -3.579229749e+00 2.50 -3.632710218e+00 -3.632710218e+00 2.52 -3.545659478e+00 -3.545659478e+00 2.54 -3.588824490e+00 -3.588824490e+00 2.56 -3.623330734e+00 -3.623330734e+00 2.58 -3.649832842e+00 -3.649832842e+00 2.60 -3.668943109e+00 -3.668943109e+00 2.62 -3.681234159e+00 -3.681234159e+00 2.64 -3.687241436e+00 -3.687241436e+00 2.66 -3.687465537e+00 -3.687465537e+00 2.68 -3.682374391e+00 -3.682374391e+00 2.70 -3.672405310e+00 -3.672405310e+00 2.72 -3.657966896e+00 -3.657966896e+00 2.74 -3.603662702e+00 -3.603662702e+00 2.76 -3.583348272e+00 -3.583348272e+00 2.78 -3.559530177e+00 -3.559530177e+00 2.80 -3.532524675e+00 -3.532524675e+00 2.82 -3.502626924e+00 -3.502626924e+00 2.84 -3.470112293e+00 -3.470112293e+00 2.86 -3.435237595e+00 -3.435237595e+00 2.88 -3.398242238e+00 -3.398242238e+00 2.90 -3.359349304e+00 -3.359349304e+00 2.92 -3.318766571e+00 -3.318766571e+00 2.94 -3.276687461e+00 -3.276687461e+00 2.96 -3.233291933e+00 -3.233291933e+00 2.98 -3.188747328e+00 -3.188747328e+00 3.00 -3.143209152e+00 -3.143209152e+00 3.02 -3.096821817e+00 -3.096821817e+00 3.04 -3.049719337e+00 -3.049719337e+00 3.06 -3.002025980e+00 -3.002025980e+00 3.08 -2.953856878e+00 -2.953856878e+00 3.10 -2.905318606e+00 -2.905318606e+00 3.12 -2.856509720e+00 -2.856509720e+00 3.14 -2.807521263e+00 -2.807521263e+00 3.16 -2.710320815e+00 -2.710320815e+00 3.18 -2.663490303e+00 -2.663490303e+00 3.20 -2.616605917e+00 -2.616605917e+00 3.22 -2.569738130e+00 -2.569738130e+00 3.24 -2.522951793e+00 -2.522951793e+00 3.26 -2.476306485e+00 -2.476306485e+00 3.28 -2.429856855e+00 -2.429856855e+00 3.30 -2.248837852e+00 -2.248837852e+00 3.32 -2.209288203e+00 -2.209288203e+00 3.34 -2.169773426e+00 -2.169773426e+00 3.36 -2.130345209e+00 -2.130345209e+00 3.38 -2.091051099e+00 -2.091051099e+00 3.40 -2.051934751e+00 -2.051934751e+00 3.42 -2.013036177e+00 -2.013036177e+00 3.44 -1.974391976e+00 -1.974391976e+00 3.46 -1.936035547e+00 -1.936035547e+00 3.48 -1.897997292e+00 -1.897997292e+00 3.50 -1.860304811e+00 -1.860304811e+00 3.52 -1.822983082e+00 -1.822983082e+00 3.54 -1.786054629e+00 -1.786054629e+00 3.56 -1.749539683e+00 -1.749539683e+00 3.58 -1.713456334e+00 -1.713456334e+00 3.60 -1.677820671e+00 -1.677820671e+00 3.62 -1.642646917e+00 -1.642646917e+00 3.64 -1.607947556e+00 -1.607947556e+00 3.66 -1.573733447e+00 -1.573733447e+00 3.68 -1.540013940e+00 -1.540013940e+00 3.70 -1.506796976e+00 -1.506796976e+00 3.72 -1.474089193e+00 -1.474089193e+00 3.74 -1.441896009e+00 -1.441896009e+00 3.76 -1.410221716e+00 -1.410221716e+00 3.78 -1.379069560e+00 -1.379069560e+00 3.80 -1.348441816e+00 -1.348441816e+00 3.82 -1.318339863e+00 -1.318339863e+00 3.84 -1.288764249e+00 -1.288764249e+00 3.86 -1.186016310e+00 -1.186016310e+00 3.88 -1.160344594e+00 -1.160344594e+00 3.90 -1.135086380e+00 -1.135086380e+00 3.92 -1.110243704e+00 -1.110243704e+00 3.94 -1.085817898e+00 -1.085817898e+00 3.96 -1.061809641e+00 -1.061809641e+00 3.98 -1.038219009e+00 -1.038219009e+00 4.00 -1.015045519e+00 -1.015045519e+00 4.02 -9.922881738e-01 -9.922881738e-01 4.04 -9.699455015e-01 -9.699455015e-01 4.06 -9.480155932e-01 -9.480155932e-01 4.08 -9.264961388e-01 -9.264961388e-01 4.10 -9.053844610e-01 -9.053844610e-01 4.12 -8.846775460e-01 -8.846775460e-01 4.14 -8.643720736e-01 -8.643720736e-01 4.16 -8.444644444e-01 -8.444644444e-01 4.18 -8.249508060e-01 -8.249508060e-01 4.20 -8.058270771e-01 -8.058270771e-01 4.22 -7.870889705e-01 -7.870889705e-01 4.24 -7.687320139e-01 -7.687320139e-01 4.26 -7.507515704e-01 -7.507515704e-01 4.28 -7.331428570e-01 -7.331428570e-01 4.30 -7.159009617e-01 -7.159009617e-01 4.32 -6.990208598e-01 -6.990208598e-01 4.34 -6.824974296e-01 -6.824974296e-01 4.36 -6.663254660e-01 -6.663254660e-01 4.38 -6.504996938e-01 -6.504996938e-01 4.40 -6.350147802e-01 -6.350147802e-01 4.42 -6.198653461e-01 -6.198653461e-01 4.44 -6.050459764e-01 -6.050459764e-01 4.46 -5.905512306e-01 -5.905512306e-01 4.48 -5.763756512e-01 -5.763756512e-01 4.50 -5.625137727e-01 -5.625137727e-01 4.52 -5.489601292e-01 -5.489601292e-01 4.54 -5.357092615e-01 -5.357092615e-01 4.56 -5.227557243e-01 -5.227557243e-01 4.58 -5.100940919e-01 -5.100940919e-01 4.60 -4.977189639e-01 -4.977189639e-01 4.62 -4.856249709e-01 -4.856249709e-01 4.64 -4.738067786e-01 -4.738067786e-01 4.66 -4.622590926e-01 -4.622590926e-01 4.68 -4.509766622e-01 -4.509766622e-01 4.70 -4.399542843e-01 -4.399542843e-01 4.72 -4.291868062e-01 -4.291868062e-01 4.74 -4.186691291e-01 -4.186691291e-01 4.76 -4.083962104e-01 -4.083962104e-01 4.78 -3.983630661e-01 -3.983630661e-01 4.80 -3.885647733e-01 -3.885647733e-01 4.82 -3.789964717e-01 -3.789964717e-01 4.84 -3.696533654e-01 -3.696533654e-01 4.86 -3.605307245e-01 -3.605307245e-01 4.88 -3.516238862e-01 -3.516238862e-01 4.90 -3.429282558e-01 -3.429282558e-01 4.92 -3.344393078e-01 -3.344393078e-01 4.94 -3.261525867e-01 -3.261525867e-01 4.96 -3.180637072e-01 -3.180637072e-01 4.98 -3.101683551e-01 -3.101683551e-01 5.00 -3.024622874e-01 -3.024622874e-01 5.02 -2.949413325e-01 -2.949413325e-01 5.04 -2.876013904e-01 -2.876013904e-01 5.06 -2.804384326e-01 -2.804384326e-01 5.08 -2.734485021e-01 -2.734485021e-01 5.10 -2.666277132e-01 -2.666277132e-01 5.12 -2.599722512e-01 -2.599722512e-01 5.14 -2.534783719e-01 -2.534783719e-01 5.16 -2.471424016e-01 -2.471424016e-01 5.18 -2.409607363e-01 -2.409607363e-01 5.20 -2.349298413e-01 -2.349298413e-01 5.22 -2.290462504e-01 -2.290462504e-01 5.24 -2.233065656e-01 -2.233065656e-01 5.26 -2.177074565e-01 -2.177074565e-01 5.28 -2.122456591e-01 -2.122456591e-01 5.30 -2.069179755e-01 -2.069179755e-01 5.32 -2.017212729e-01 -2.017212729e-01 5.34 -1.966524830e-01 -1.966524830e-01 5.36 -1.917086009e-01 -1.917086009e-01 5.38 -1.868866847e-01 -1.868866847e-01 5.40 -1.821838541e-01 -1.821838541e-01 5.42 -1.775972898e-01 -1.775972898e-01 5.44 -1.731242326e-01 -1.731242326e-01 5.46 -1.319993893e-01 -1.319993893e-01 5.48 -1.287575081e-01 -1.287575081e-01 5.50 -1.255934146e-01 -1.255934146e-01 5.52 -1.225053352e-01 -1.225053352e-01 5.54 -1.194915323e-01 -1.194915323e-01 5.56 -1.165503033e-01 -1.165503033e-01 5.58 -1.136799800e-01 -1.136799800e-01 5.60 -1.108789289e-01 -1.108789289e-01 5.62 -1.081455499e-01 -1.081455499e-01 5.64 -1.054782761e-01 -1.054782761e-01 5.66 -1.028755737e-01 -1.028755737e-01 5.68 -1.003359408e-01 -1.003359408e-01 5.70 -9.785790749e-02 -9.785790749e-02 5.72 -9.544003500e-02 -9.544003500e-02 5.74 -9.308091535e-02 -9.308091535e-02 5.76 -9.077917083e-02 -9.077917083e-02 5.78 -8.853345344e-02 -8.853345344e-02 5.80 -8.634244445e-02 -8.634244445e-02 5.82 -8.420485385e-02 -8.420485385e-02 5.84 -8.211941985e-02 -8.211941985e-02 5.86 -8.008490839e-02 -8.008490839e-02 5.88 -7.810011265e-02 -7.810011265e-02 5.90 -7.616385253e-02 -7.616385253e-02 5.92 -7.427497417e-02 -7.427497417e-02 5.94 -7.243234946e-02 -7.243234946e-02 5.96 -7.063487554e-02 -7.063487554e-02 5.98 -6.888147435e-02 -6.888147435e-02 6.00 -6.717109209e-02 -6.717109209e-02