# 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 = Cr2FeNi # 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 2.392549536e+02 2.392549536e+02 1.10 2.203823812e+02 2.203823812e+02 1.12 2.027845426e+02 2.027845426e+02 1.14 1.865449836e+02 1.865449836e+02 1.16 1.717753685e+02 1.717753685e+02 1.18 1.581119203e+02 1.581119203e+02 1.20 1.458692749e+02 1.458692749e+02 1.22 1.342522192e+02 1.342522192e+02 1.24 1.234631452e+02 1.234631452e+02 1.26 1.136714963e+02 1.136714880e+02 1.28 1.045946319e+02 1.045946319e+02 1.30 9.622199281e+01 9.622199281e+01 1.32 8.837392717e+01 8.837392717e+01 1.34 8.136226565e+01 8.136226565e+01 1.36 7.464331585e+01 7.464331585e+01 1.38 6.845669159e+01 6.845669159e+01 1.40 6.272064472e+01 6.272064472e+01 1.42 5.741954320e+01 5.741954320e+01 1.44 5.274450997e+01 5.274450997e+01 1.46 4.835619125e+01 4.835619125e+01 1.48 4.412484665e+01 4.412484665e+01 1.50 4.021312393e+01 4.021312393e+01 1.52 3.667823839e+01 3.667823839e+01 1.54 3.348343285e+01 3.348343285e+01 1.56 3.036688597e+01 3.036688597e+01 1.58 2.751374673e+01 2.751374673e+01 1.60 2.484830936e+01 2.484830936e+01 1.62 2.238505044e+01 2.238505044e+01 1.64 2.010896772e+01 2.010896772e+01 1.66 1.808474727e+01 1.808474727e+01 1.68 1.621259110e+01 1.621259110e+01 1.70 1.440460549e+01 1.440460549e+01 1.72 1.273607731e+01 1.273607731e+01 1.74 1.127586113e+01 1.127586113e+01 1.76 9.848982020e+00 9.848982020e+00 1.78 8.534009405e+00 8.534009405e+00 1.80 7.322833054e+00 7.322833054e+00 1.82 6.313419352e+00 6.313419352e+00 1.84 5.278320550e+00 5.278320550e+00 1.86 4.484102453e+00 4.484102453e+00 1.88 3.596405339e+00 3.596405339e+00 1.90 2.782067939e+00 2.782067939e+00 1.92 2.035778084e+00 2.035778084e+00 1.94 1.393083627e+00 1.393083627e+00 1.96 7.649985616e-01 7.649985616e-01 1.98 1.915130813e-01 1.915130813e-01 2.00 -3.313383887e-01 -3.313383887e-01 2.02 -8.072386913e-01 -8.072386913e-01 2.04 -1.239609031e+00 -1.239609031e+00 2.06 -1.631628368e+00 -1.631628368e+00 2.08 -1.986251256e+00 -1.986251256e+00 2.10 -2.235427370e+00 -2.235427171e+00 2.12 -2.490339577e+00 -2.490339577e+00 2.14 -2.756701400e+00 -2.756701400e+00 2.16 -2.994903865e+00 -2.994903865e+00 2.18 -3.207052322e+00 -3.207052322e+00 2.20 -3.395105041e+00 -3.395105041e+00 2.22 -3.560883644e+00 -3.560883644e+00 2.24 -3.625094935e+00 -3.625094935e+00 2.26 -3.757328086e+00 -3.757328086e+00 2.28 -3.871576451e+00 -3.871576451e+00 2.30 -3.969237830e+00 -3.969237830e+00 2.32 -4.051612584e+00 -4.051612584e+00 2.34 -4.119910385e+00 -4.119910385e+00 2.36 -4.175256490e+00 -4.175256490e+00 2.38 -4.218697552e+00 -4.218697552e+00 2.40 -4.251207025e+00 -4.251207025e+00 2.42 -4.273690176e+00 -4.273690176e+00 2.44 -4.202075579e+00 -4.202075579e+00 2.46 -4.212770951e+00 -4.212770951e+00 2.48 -4.215396974e+00 -4.215396974e+00 2.50 -4.210656323e+00 -4.210656323e+00 2.52 -4.119418475e+00 -4.119418475e+00 2.54 -4.107184408e+00 -4.107184408e+00 2.56 -4.089052192e+00 -4.089052192e+00 2.58 -4.065568385e+00 -4.065568385e+00 2.60 -4.037240441e+00 -4.037240441e+00 2.62 -4.004539343e+00 -4.004539343e+00 2.64 -3.967902053e+00 -3.967902053e+00 2.66 -3.927733804e+00 -3.927733804e+00 2.68 -3.884410229e+00 -3.884410229e+00 2.70 -3.838279356e+00 -3.838279356e+00 2.72 -3.789663464e+00 -3.789663464e+00 2.74 -3.718393171e+00 -3.718393171e+00 2.76 -3.666934076e+00 -3.666934076e+00 2.78 -3.613742451e+00 -3.613742451e+00 2.80 -3.559058467e+00 -3.559058467e+00 2.82 -3.503103866e+00 -3.503103866e+00 2.84 -3.446083202e+00 -3.446083202e+00 2.86 -3.388185011e+00 -3.388185011e+00 2.88 -3.329582897e+00 -3.329582897e+00 2.90 -3.270436552e+00 -3.270436552e+00 2.92 -3.210892698e+00 -3.210892698e+00 2.94 -3.151085985e+00 -3.151085985e+00 2.96 -3.091139814e+00 -3.091139814e+00 2.98 -3.031167111e+00 -3.031167111e+00 3.00 -2.971271056e+00 -2.971271056e+00 3.02 -2.911545757e+00 -2.911545757e+00 3.04 -2.852076883e+00 -2.852076883e+00 3.06 -2.792942254e+00 -2.792942254e+00 3.08 -2.734212395e+00 -2.734212395e+00 3.10 -2.675951050e+00 -2.675951050e+00 3.12 -2.618215665e+00 -2.618215665e+00 3.14 -2.561057840e+00 -2.561057840e+00 3.16 -2.476982190e+00 -2.476982190e+00 3.18 -2.422581502e+00 -2.422581502e+00 3.20 -2.368804111e+00 -2.368804111e+00 3.22 -2.315686286e+00 -2.315686286e+00 3.24 -2.263260080e+00 -2.263260080e+00 3.26 -2.211553639e+00 -2.211553639e+00 3.28 -2.160591492e+00 -2.160591492e+00 3.30 -2.028069995e+00 -2.028069995e+00 3.32 -1.982873230e+00 -1.982873230e+00 3.34 -1.938260108e+00 -1.938260108e+00 3.36 -1.894254119e+00 -1.894254119e+00 3.38 -1.850875779e+00 -1.850875779e+00 3.40 -1.808142844e+00 -1.808142844e+00 3.42 -1.766070517e+00 -1.766070517e+00 3.44 -1.724671641e+00 -1.724671641e+00 3.46 -1.683956875e+00 -1.683956875e+00 3.48 -1.643934860e+00 -1.643934860e+00 3.50 -1.604612380e+00 -1.604612380e+00 3.52 -1.565994505e+00 -1.565994505e+00 3.54 -1.528084726e+00 -1.528084726e+00 3.56 -1.490885088e+00 -1.490885088e+00 3.58 -1.454396302e+00 -1.454396302e+00 3.60 -1.418617863e+00 -1.418617863e+00 3.62 -1.383548148e+00 -1.383548148e+00 3.64 -1.349184518e+00 -1.349184518e+00 3.66 -1.315523404e+00 -1.315523404e+00 3.68 -1.282560393e+00 -1.282560393e+00 3.70 -1.250290308e+00 -1.250290308e+00 3.72 -1.218707278e+00 -1.218707278e+00 3.74 -1.187804807e+00 -1.187804807e+00 3.76 -1.157575839e+00 -1.157575839e+00 3.78 -1.128012816e+00 -1.128012816e+00 3.80 -1.099107729e+00 -1.099107729e+00 3.82 -1.070852177e+00 -1.070852177e+00 3.84 -1.043237404e+00 -1.043237404e+00 3.86 -9.739281574e-01 -9.739281574e-01 3.88 -9.494184470e-01 -9.494184470e-01 3.90 -9.254409088e-01 -9.254409088e-01 3.92 -9.019892877e-01 -9.019892877e-01 3.94 -8.790570189e-01 -8.790570189e-01 3.96 -8.566372636e-01 -8.566372636e-01 3.98 -8.347229425e-01 -8.347229425e-01 4.00 -8.133067668e-01 -8.133067668e-01 4.02 -7.923812666e-01 -7.923812666e-01 4.04 -7.719388177e-01 -7.719388177e-01 4.06 -7.519716666e-01 -7.519716666e-01 4.08 -7.324719526e-01 -7.324719526e-01 4.10 -7.134317299e-01 -7.134317299e-01 4.12 -6.948429864e-01 -6.948429864e-01 4.14 -6.766976618e-01 -6.766976618e-01 4.16 -6.589876647e-01 -6.589876647e-01 4.18 -6.417048873e-01 -6.417048873e-01 4.20 -6.248412198e-01 -6.248412198e-01 4.22 -6.083885632e-01 -6.083885632e-01 4.24 -5.923388410e-01 -5.923388410e-01 4.26 -5.766840105e-01 -5.766840105e-01 4.28 -5.614160719e-01 -5.614160719e-01 4.30 -5.465270778e-01 -5.465270778e-01 4.32 -5.320091414e-01 -5.320091414e-01 4.34 -5.178544436e-01 -5.178544436e-01 4.36 -5.040552399e-01 -5.040552399e-01 4.38 -4.906038663e-01 -4.906038663e-01 4.40 -4.774927447e-01 -4.774927447e-01 4.42 -4.647143877e-01 -4.647143877e-01 4.44 -4.522614030e-01 -4.522614030e-01 4.46 -4.401264971e-01 -4.401264971e-01 4.48 -4.283024785e-01 -4.283024785e-01 4.50 -4.167822607e-01 -4.167822607e-01 4.52 -4.055588645e-01 -4.055588645e-01 4.54 -3.946254204e-01 -3.946254204e-01 4.56 -3.839751702e-01 -3.839751702e-01 4.58 -3.736014681e-01 -3.736014681e-01 4.60 -3.634977826e-01 -3.634977826e-01 4.62 -3.536576967e-01 -3.536576967e-01 4.64 -3.440749086e-01 -3.440749086e-01 4.66 -3.347432324e-01 -3.347432324e-01 4.68 -3.256565981e-01 -3.256565981e-01 4.70 -3.168090515e-01 -3.168090515e-01 4.72 -3.081947541e-01 -3.081947541e-01 4.74 -2.998079827e-01 -2.998079827e-01 4.76 -2.916431289e-01 -2.916431289e-01 4.78 -2.836946983e-01 -2.836946983e-01 4.80 -2.759573099e-01 -2.759573099e-01 4.82 -2.684256952e-01 -2.684256952e-01 4.84 -2.610946972e-01 -2.610946972e-01 4.86 -2.539592689e-01 -2.539592689e-01 4.88 -2.470144730e-01 -2.470144730e-01 4.90 -2.402554797e-01 -2.402554797e-01 4.92 -2.336775660e-01 -2.336775660e-01 4.94 -2.272761142e-01 -2.272761142e-01 4.96 -2.210466102e-01 -2.210466102e-01 4.98 -2.149846425e-01 -2.149846425e-01 5.00 -2.090859002e-01 -2.090859002e-01 5.02 -2.033461719e-01 -2.033461719e-01 5.04 -1.977613438e-01 -1.977613438e-01 5.06 -1.923273982e-01 -1.923273982e-01 5.08 -1.870404120e-01 -1.870404120e-01 5.10 -1.818965548e-01 -1.818965548e-01 5.12 -1.768920877e-01 -1.768920877e-01 5.14 -1.720233611e-01 -1.720233611e-01 5.16 -1.672868134e-01 -1.672868134e-01 5.18 -1.626789694e-01 -1.626789694e-01 5.20 -1.581964385e-01 -1.581964385e-01 5.22 -1.538359128e-01 -1.538359128e-01 5.24 -1.495941660e-01 -1.495941660e-01 5.26 -1.454680513e-01 -1.454680513e-01 5.28 -1.414545002e-01 -1.414545002e-01 5.30 -1.375505202e-01 -1.375505202e-01 5.32 -1.337531940e-01 -1.337531940e-01 5.34 -1.300596775e-01 -1.300596775e-01 5.36 -1.264671980e-01 -1.264671980e-01 5.38 -1.229730532e-01 -1.229730532e-01 5.40 -1.195746092e-01 -1.195746092e-01 5.42 -1.162692993e-01 -1.162692993e-01 5.44 -1.130546223e-01 -1.130546223e-01 5.46 -8.883351782e-02 -8.883351782e-02 5.48 -8.644968152e-02 -8.644968152e-02 5.50 -8.412897289e-02 -8.412897289e-02 5.52 -8.186976603e-02 -8.186976603e-02 5.54 -7.967047436e-02 -7.967047436e-02 5.56 -7.752954989e-02 -7.752954989e-02 5.58 -7.544548234e-02 -7.544548234e-02 5.60 -7.341679838e-02 -7.341679838e-02 5.62 -7.144206086e-02 -7.144206086e-02 5.64 -6.951986802e-02 -6.951986802e-02 5.66 -6.764885272e-02 -6.764885272e-02 5.68 -6.582768168e-02 -6.582768168e-02 5.70 -6.405505477e-02 -6.405505477e-02 5.72 -6.232970423e-02 -6.232970423e-02 5.74 -6.065039401e-02 -6.065039401e-02 5.76 -5.901591898e-02 -5.901591898e-02 5.78 -5.742510429e-02 -5.742510429e-02 5.80 -5.587680467e-02 -5.587680467e-02 5.82 -5.436990374e-02 -5.436990374e-02 5.84 -5.290331334e-02 -5.290331334e-02 5.86 -5.147597290e-02 -5.147597290e-02 5.88 -5.008684878e-02 -5.008684878e-02 5.90 -4.873493366e-02 -4.873493366e-02 5.92 -4.741924587e-02 -4.741924587e-02 5.94 -4.613882885e-02 -4.613882885e-02 5.96 -4.489275052e-02 -4.489275052e-02 5.98 -4.368010269e-02 -4.368010269e-02 6.00 -4.250000050e-02 -4.250000050e-02