# 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 = CoCr2Mn # 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 2.393389206e+02 2.393389206e+02 1.10 2.204738098e+02 2.204738098e+02 1.12 2.029152619e+02 2.029152619e+02 1.14 1.867209883e+02 1.867209883e+02 1.16 1.719744184e+02 1.719744184e+02 1.18 1.583408359e+02 1.583408359e+02 1.20 1.460858121e+02 1.460858121e+02 1.22 1.344975385e+02 1.344975385e+02 1.24 1.237449556e+02 1.237449556e+02 1.26 1.139681412e+02 1.139681291e+02 1.28 1.049102880e+02 1.049102880e+02 1.30 9.655408245e+01 9.655408245e+01 1.32 8.873531562e+01 8.873531562e+01 1.34 8.172180899e+01 8.172180899e+01 1.36 7.503006043e+01 7.503006043e+01 1.38 6.886567791e+01 6.886567791e+01 1.40 6.315209623e+01 6.315209623e+01 1.42 5.787127909e+01 5.787127909e+01 1.44 5.318795500e+01 5.318795500e+01 1.46 4.879862143e+01 4.879862143e+01 1.48 4.458668399e+01 4.458668399e+01 1.50 4.069236544e+01 4.069236544e+01 1.52 3.716298237e+01 3.716298237e+01 1.54 3.396449032e+01 3.396449032e+01 1.56 3.086301163e+01 3.086301163e+01 1.58 2.801990537e+01 2.801990537e+01 1.60 2.536658930e+01 2.536658930e+01 1.62 2.291398132e+01 2.291398132e+01 1.64 2.064719257e+01 2.064719257e+01 1.66 1.862130396e+01 1.862130396e+01 1.68 1.674775722e+01 1.674775722e+01 1.70 1.494721916e+01 1.494721916e+01 1.72 1.328499408e+01 1.328499408e+01 1.74 1.182041762e+01 1.182041762e+01 1.76 1.039863080e+01 1.039863080e+01 1.78 9.087769906e+00 9.087769906e+00 1.80 7.879796723e+00 7.879796723e+00 1.82 6.859786223e+00 6.859786223e+00 1.84 5.827339336e+00 5.827339336e+00 1.86 5.016482764e+00 5.016482764e+00 1.88 4.131406111e+00 4.131406111e+00 1.90 3.318867364e+00 3.318867364e+00 1.92 2.573615884e+00 2.573615884e+00 1.94 1.926349212e+00 1.926349212e+00 1.96 1.298330388e+00 1.298330388e+00 1.98 7.242813074e-01 7.242813074e-01 2.00 2.002845795e-01 2.002845795e-01 2.02 -2.772977537e-01 -2.772977537e-01 2.04 -7.118450525e-01 -7.118450525e-01 2.06 -1.106497240e+00 -1.106497240e+00 2.08 -1.464172432e+00 -1.464172432e+00 2.10 -1.725065337e+00 -1.725065048e+00 2.12 -1.987702132e+00 -1.987702132e+00 2.14 -2.257285422e+00 -2.257285422e+00 2.16 -2.499070032e+00 -2.499070032e+00 2.18 -2.715130685e+00 -2.715130685e+00 2.20 -2.907397000e+00 -2.907397000e+00 2.22 -3.077663791e+00 -3.077663791e+00 2.24 -3.156431751e+00 -3.156431751e+00 2.26 -3.292964860e+00 -3.292964860e+00 2.28 -3.411761497e+00 -3.411761497e+00 2.30 -3.514195997e+00 -3.514195997e+00 2.32 -3.601546749e+00 -3.601546749e+00 2.34 -3.675002862e+00 -3.675002862e+00 2.36 -3.735670339e+00 -3.735670339e+00 2.38 -3.784577816e+00 -3.784577816e+00 2.40 -3.822681884e+00 -3.822681884e+00 2.42 -3.850872042e+00 -3.850872042e+00 2.44 -3.795488094e+00 -3.795488094e+00 2.46 -3.811422499e+00 -3.811422499e+00 2.48 -3.819398488e+00 -3.819398488e+00 2.50 -3.820104288e+00 -3.820104288e+00 2.52 -3.743767853e+00 -3.743767853e+00 2.54 -3.736554938e+00 -3.736554938e+00 2.56 -3.723537730e+00 -3.723537730e+00 2.58 -3.705249668e+00 -3.705249668e+00 2.60 -3.682185951e+00 -3.682185951e+00 2.62 -3.654806118e+00 -3.654806118e+00 2.64 -3.623536455e+00 -3.623536455e+00 2.66 -3.588772239e+00 -3.588772239e+00 2.68 -3.550879827e+00 -3.550879827e+00 2.70 -3.510198616e+00 -3.510198616e+00 2.72 -3.467042856e+00 -3.467042856e+00 2.74 -3.403714603e+00 -3.403714603e+00 2.76 -3.357577079e+00 -3.357577079e+00 2.78 -3.309704240e+00 -3.309704240e+00 2.80 -3.260329916e+00 -3.260329916e+00 2.82 -3.209669976e+00 -3.209669976e+00 2.84 -3.157923544e+00 -3.157923544e+00 2.86 -3.105274147e+00 -3.105274147e+00 2.88 -3.051890768e+00 -3.051890768e+00 2.90 -2.997928850e+00 -2.997928850e+00 2.92 -2.943531217e+00 -2.943531217e+00 2.94 -2.888828945e+00 -2.888828945e+00 2.96 -2.833942171e+00 -2.833942171e+00 2.98 -2.778980849e+00 -2.778980849e+00 3.00 -2.724045458e+00 -2.724045458e+00 3.02 -2.669227662e+00 -2.669227662e+00 3.04 -2.614610925e+00 -2.614610925e+00 3.06 -2.560271092e+00 -2.560271092e+00 3.08 -2.506276922e+00 -2.506276922e+00 3.10 -2.452690594e+00 -2.452690594e+00 3.12 -2.399568175e+00 -2.399568175e+00 3.14 -2.346960062e+00 -2.346960062e+00 3.16 -2.270759897e+00 -2.270759897e+00 3.18 -2.220614643e+00 -2.220614643e+00 3.20 -2.171034671e+00 -2.171034671e+00 3.22 -2.122055271e+00 -2.122055271e+00 3.24 -2.073707656e+00 -2.073707656e+00 3.26 -2.026019269e+00 -2.026019269e+00 3.28 -1.979014054e+00 -1.979014054e+00 3.30 -1.860034727e+00 -1.860034727e+00 3.32 -1.818214965e+00 -1.818214965e+00 3.34 -1.776937969e+00 -1.776937969e+00 3.36 -1.736226091e+00 -1.736226091e+00 3.38 -1.696098840e+00 -1.696098840e+00 3.40 -1.656573089e+00 -1.656573089e+00 3.42 -1.617663274e+00 -1.617663274e+00 3.44 -1.579381578e+00 -1.579381578e+00 3.46 -1.541738101e+00 -1.541738101e+00 3.48 -1.504741022e+00 -1.504741022e+00 3.50 -1.468396751e+00 -1.468396751e+00 3.52 -1.432710065e+00 -1.432710065e+00 3.54 -1.397684245e+00 -1.397684245e+00 3.56 -1.363321193e+00 -1.363321193e+00 3.58 -1.329621547e+00 -1.329621547e+00 3.60 -1.296584791e+00 -1.296584791e+00 3.62 -1.264209350e+00 -1.264209350e+00 3.64 -1.232492688e+00 -1.232492688e+00 3.66 -1.201431388e+00 -1.201431388e+00 3.68 -1.171021236e+00 -1.171021236e+00 3.70 -1.141257296e+00 -1.141257296e+00 3.72 -1.112133979e+00 -1.112133979e+00 3.74 -1.083645108e+00 -1.083645108e+00 3.76 -1.055783979e+00 -1.055783979e+00 3.78 -1.028543415e+00 -1.028543415e+00 3.80 -1.001915819e+00 -1.001915819e+00 3.82 -9.758932242e-01 -9.758932242e-01 3.84 -9.504673369e-01 -9.504673369e-01 3.86 -8.884130329e-01 -8.884130329e-01 3.88 -8.658033163e-01 -8.658033163e-01 3.90 -8.436910824e-01 -8.436910824e-01 3.92 -8.220703073e-01 -8.220703073e-01 3.94 -8.009346814e-01 -8.009346814e-01 3.96 -7.802776440e-01 -7.802776440e-01 3.98 -7.600924142e-01 -7.600924142e-01 4.00 -7.403720203e-01 -7.403720203e-01 4.02 -7.211093267e-01 -7.211093267e-01 4.04 -7.022970591e-01 -7.022970591e-01 4.06 -6.839278276e-01 -6.839278276e-01 4.08 -6.659941484e-01 -6.659941484e-01 4.10 -6.484884630e-01 -6.484884630e-01 4.12 -6.314031573e-01 -6.314031573e-01 4.14 -6.147305778e-01 -6.147305778e-01 4.16 -5.984630473e-01 -5.984630473e-01 4.18 -5.825928794e-01 -5.825928794e-01 4.20 -5.671123912e-01 -5.671123912e-01 4.22 -5.520139156e-01 -5.520139156e-01 4.24 -5.372898121e-01 -5.372898121e-01 4.26 -5.229324769e-01 -5.229324769e-01 4.28 -5.089343519e-01 -5.089343519e-01 4.30 -4.952879332e-01 -4.952879332e-01 4.32 -4.819857782e-01 -4.819857782e-01 4.34 -4.690205131e-01 -4.690205131e-01 4.36 -4.563848383e-01 -4.563848383e-01 4.38 -4.440715341e-01 -4.440715341e-01 4.40 -4.320734659e-01 -4.320734659e-01 4.42 -4.203835882e-01 -4.203835882e-01 4.44 -4.089949486e-01 -4.089949486e-01 4.46 -3.979006911e-01 -3.979006911e-01 4.48 -3.870940592e-01 -3.870940592e-01 4.50 -3.765683984e-01 -3.765683984e-01 4.52 -3.663171583e-01 -3.663171583e-01 4.54 -3.563338942e-01 -3.563338942e-01 4.56 -3.466122692e-01 -3.466122692e-01 4.58 -3.371460549e-01 -3.371460549e-01 4.60 -3.279291324e-01 -3.279291324e-01 4.62 -3.189554932e-01 -3.189554932e-01 4.64 -3.102192394e-01 -3.102192394e-01 4.66 -3.017145840e-01 -3.017145840e-01 4.68 -2.934358511e-01 -2.934358511e-01 4.70 -2.853774755e-01 -2.853774755e-01 4.72 -2.775340026e-01 -2.775340026e-01 4.74 -2.699000877e-01 -2.699000877e-01 4.76 -2.624704956e-01 -2.624704956e-01 4.78 -2.552401000e-01 -2.552401000e-01 4.80 -2.482038821e-01 -2.482038821e-01 4.82 -2.413569304e-01 -2.413569304e-01 4.84 -2.346944390e-01 -2.346944390e-01 4.86 -2.282117070e-01 -2.282117070e-01 4.88 -2.219041371e-01 -2.219041371e-01 4.90 -2.157672341e-01 -2.157672341e-01 4.92 -2.097966040e-01 -2.097966040e-01 4.94 -2.039879523e-01 -2.039879523e-01 4.96 -1.983370829e-01 -1.983370829e-01 4.98 -1.928398963e-01 -1.928398963e-01 5.00 -1.874923884e-01 -1.874923884e-01 5.02 -1.822906488e-01 -1.822906488e-01 5.04 -1.772308593e-01 -1.772308593e-01 5.06 -1.723092923e-01 -1.723092923e-01 5.08 -1.675223095e-01 -1.675223095e-01 5.10 -1.628663598e-01 -1.628663598e-01 5.12 -1.583379783e-01 -1.583379783e-01 5.14 -1.539337841e-01 -1.539337841e-01 5.16 -1.496504793e-01 -1.496504793e-01 5.18 -1.454848467e-01 -1.454848467e-01 5.20 -1.414337490e-01 -1.414337490e-01 5.22 -1.374941266e-01 -1.374941266e-01 5.24 -1.336629962e-01 -1.336629962e-01 5.26 -1.299374492e-01 -1.299374492e-01 5.28 -1.263146504e-01 -1.263146504e-01 5.30 -1.227918360e-01 -1.227918360e-01 5.32 -1.193663124e-01 -1.193663124e-01 5.34 -1.160354546e-01 -1.160354546e-01 5.36 -1.127967045e-01 -1.127967045e-01 5.38 -1.096475698e-01 -1.096475698e-01 5.40 -1.065856221e-01 -1.065856221e-01 5.42 -1.036084958e-01 -1.036084958e-01 5.44 -1.007138866e-01 -1.007138866e-01 5.46 -7.939649835e-02 -7.939649835e-02 5.48 -7.724359807e-02 -7.724359807e-02 5.50 -7.514833032e-02 -7.514833032e-02 5.52 -7.310919319e-02 -7.310919319e-02 5.54 -7.112472161e-02 -7.112472161e-02 5.56 -6.919348662e-02 -6.919348662e-02 5.58 -6.731409459e-02 -6.731409459e-02 5.60 -6.548518645e-02 -6.548518645e-02 5.62 -6.370543694e-02 -6.370543694e-02 5.64 -6.197355391e-02 -6.197355391e-02 5.66 -6.028827754e-02 -6.028827754e-02 5.68 -5.864837964e-02 -5.864837964e-02 5.70 -5.705266296e-02 -5.705266296e-02 5.72 -5.549996046e-02 -5.549996046e-02 5.74 -5.398913467e-02 -5.398913467e-02 5.76 -5.251907696e-02 -5.251907696e-02 5.78 -5.108870690e-02 -5.108870690e-02 5.80 -4.969697163e-02 -4.969697163e-02 5.82 -4.834284518e-02 -4.834284518e-02 5.84 -4.702532787e-02 -4.702532787e-02 5.86 -4.574344566e-02 -4.574344566e-02 5.88 -4.449624957e-02 -4.449624957e-02 5.90 -4.328281509e-02 -4.328281509e-02 5.92 -4.210224155e-02 -4.210224155e-02 5.94 -4.095365161e-02 -4.095365161e-02 5.96 -3.983619064e-02 -3.983619064e-02 5.98 -3.874902620e-02 -3.874902620e-02 6.00 -3.769134751e-02 -3.769134751e-02