# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CoCr2W # 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 2.136223641e+02 2.136223641e+02 1.00 1.978033659e+02 1.978033659e+02 1.02 1.828961319e+02 1.828961319e+02 1.04 1.688974176e+02 1.688974176e+02 1.06 1.589019137e+02 1.589019137e+02 1.08 1.544347734e+02 1.544347734e+02 1.10 1.532606850e+02 1.532606850e+02 1.12 1.537872110e+02 1.537872110e+02 1.14 1.549087458e+02 1.549087458e+02 1.16 1.558869885e+02 1.558869885e+02 1.18 1.562574049e+02 1.562574049e+02 1.20 1.557563399e+02 1.557563399e+02 1.22 1.542645947e+02 1.542645947e+02 1.24 1.517641380e+02 1.517641380e+02 1.26 1.483051538e+02 1.483051538e+02 1.28 1.439812666e+02 1.439812666e+02 1.30 1.389111733e+02 1.389111733e+02 1.32 1.332252542e+02 1.332252542e+02 1.34 1.270560540e+02 1.270560540e+02 1.36 1.205317231e+02 1.205317231e+02 1.38 1.137717142e+02 1.137717142e+02 1.40 1.068841710e+02 1.068841710e+02 1.42 9.996456516e+01 9.996456516e+01 1.44 9.309524653e+01 9.309524653e+01 1.46 8.634562387e+01 8.634562387e+01 1.48 7.977278434e+01 7.977278434e+01 1.50 7.342239463e+01 7.342239463e+01 1.52 6.732976215e+01 6.732976215e+01 1.54 6.152097456e+01 6.152097456e+01 1.56 5.601405173e+01 5.601405173e+01 1.58 5.082006598e+01 5.082006598e+01 1.60 4.594420427e+01 4.594420427e+01 1.62 4.138673585e+01 4.138673585e+01 1.64 3.714380055e+01 3.714380055e+01 1.66 3.320814919e+01 3.320814919e+01 1.68 2.956988164e+01 2.956988164e+01 1.70 2.621709441e+01 2.621709441e+01 1.72 2.313643736e+01 2.313643736e+01 1.74 2.031358585e+01 2.031358585e+01 1.76 1.773363736e+01 1.773363736e+01 1.78 1.538143851e+01 1.538143851e+01 1.80 1.324185017e+01 1.324185017e+01 1.82 1.129996033e+01 1.129996033e+01 1.84 9.541250512e+00 9.541250512e+00 1.86 7.951721732e+00 7.951721732e+00 1.88 6.517985338e+00 6.517985338e+00 1.90 5.227324959e+00 5.227324959e+00 1.92 4.067730028e+00 4.067730028e+00 1.94 3.027904299e+00 3.027904299e+00 1.96 2.097257326e+00 2.097257326e+00 1.98 1.265881196e+00 1.265881196e+00 2.00 5.245192028e-01 5.245192028e-01 2.02 -1.355178638e-01 -1.355178638e-01 2.04 -7.225263819e-01 -7.225263819e-01 2.06 -1.244219859e+00 -1.244219859e+00 2.08 -1.707661574e+00 -1.707661574e+00 2.10 -2.119246114e+00 -2.119246114e+00 2.12 -2.484669137e+00 -2.484669137e+00 2.14 -2.808894260e+00 -2.808894260e+00 2.16 -3.096124293e+00 -3.096124293e+00 2.18 -3.349797928e+00 -3.349797928e+00 2.20 -3.572630268e+00 -3.572630268e+00 2.22 -3.766703565e+00 -3.766703565e+00 2.24 -3.933614046e+00 -3.933614046e+00 2.26 -4.074661779e+00 -4.074661779e+00 2.28 -4.191057570e+00 -4.191057570e+00 2.30 -4.284113627e+00 -4.284113627e+00 2.32 -4.355384747e+00 -4.355384747e+00 2.34 -4.406736002e+00 -4.406736002e+00 2.36 -4.440329698e+00 -4.440329698e+00 2.38 -4.458542665e+00 -4.458542665e+00 2.40 -4.463839196e+00 -4.463839196e+00 2.42 -4.458630846e+00 -4.458630846e+00 2.44 -4.445151146e+00 -4.445151146e+00 2.46 -4.425363980e+00 -4.425363980e+00 2.48 -4.400913056e+00 -4.400913056e+00 2.50 -4.373110103e+00 -4.373110103e+00 2.52 -4.342953377e+00 -4.342953377e+00 2.54 -4.311165775e+00 -4.311165775e+00 2.56 -4.278242419e+00 -4.278242419e+00 2.58 -4.244499816e+00 -4.244499816e+00 2.60 -4.210121363e+00 -4.210121363e+00 2.62 -4.175172477e+00 -4.175172477e+00 2.64 -4.139556365e+00 -4.139556365e+00 2.66 -4.103131631e+00 -4.103131631e+00 2.68 -4.065760838e+00 -4.065760838e+00 2.70 -4.027319819e+00 -4.027319819e+00 2.72 -3.987703090e+00 -3.987703090e+00 2.74 -3.946826371e+00 -3.946826371e+00 2.76 -3.904627080e+00 -3.904627080e+00 2.78 -3.861063483e+00 -3.861063483e+00 2.80 -3.816113020e+00 -3.816113020e+00 2.82 -3.769770192e+00 -3.769770192e+00 2.84 -3.722044280e+00 -3.722044280e+00 2.86 -3.672957072e+00 -3.672957072e+00 2.88 -3.622540744e+00 -3.622540744e+00 2.90 -3.570835947e+00 -3.570835947e+00 2.92 -3.517890166e+00 -3.517890166e+00 2.94 -3.463756368e+00 -3.463756368e+00 2.96 -3.408491946e+00 -3.408491946e+00 2.98 -3.352157973e+00 -3.352157973e+00 3.00 -3.294818743e+00 -3.294818743e+00 3.02 -3.236541599e+00 -3.236541599e+00 3.04 -3.177397020e+00 -3.177397020e+00 3.06 -3.117458947e+00 -3.117458947e+00 3.08 -3.056805299e+00 -3.056805299e+00 3.10 -2.995518644e+00 -2.995518644e+00 3.12 -2.933686945e+00 -2.933686945e+00 3.14 -2.871404321e+00 -2.871404321e+00 3.16 -2.808771712e+00 -2.808771712e+00 3.18 -2.745897363e+00 -2.745897363e+00 3.20 -2.682897007e+00 -2.682897007e+00 3.22 -2.619893648e+00 -2.619893648e+00 3.24 -2.557016861e+00 -2.557016861e+00 3.26 -2.494401540e+00 -2.494401540e+00 3.28 -2.432186081e+00 -2.432186081e+00 3.30 -2.370510028e+00 -2.370510028e+00 3.32 -2.309511282e+00 -2.309511282e+00 3.34 -2.249323002e+00 -2.249323002e+00 3.36 -2.190070398e+00 -2.190070398e+00 3.38 -2.131867631e+00 -2.131867631e+00 3.40 -2.074815037e+00 -2.074815037e+00 3.42 -2.018996884e+00 -2.018996884e+00 3.44 -1.964479815e+00 -1.964479815e+00 3.46 -1.911312075e+00 -1.911312075e+00 3.48 -1.859523551e+00 -1.859523551e+00 3.50 -1.809126580e+00 -1.809126580e+00 3.52 -1.760117429e+00 -1.760117429e+00 3.54 -1.712478290e+00 -1.712478290e+00 3.56 -1.666179638e+00 -1.666179638e+00 3.58 -1.621182753e+00 -1.621182753e+00 3.60 -1.577442262e+00 -1.577442262e+00 3.62 -1.534908550e+00 -1.534908550e+00 3.64 -1.493529940e+00 -1.493529940e+00 3.66 -1.453254550e+00 -1.453254550e+00 3.68 -1.414031818e+00 -1.414031818e+00 3.70 -1.375813652e+00 -1.375813652e+00 3.72 -1.338555237e+00 -1.338555237e+00 3.74 -1.302215534e+00 -1.302215534e+00 3.76 -1.266757494e+00 -1.266757494e+00 3.78 -1.232148060e+00 -1.232148060e+00 3.80 -1.198357989e+00 -1.198357989e+00 3.82 -1.165361555e+00 -1.165361555e+00 3.84 -1.133136174e+00 -1.133136174e+00 3.86 -1.101661981e+00 -1.101661981e+00 3.88 -1.070921407e+00 -1.070921407e+00 3.90 -1.040898765e+00 -1.040898765e+00 3.92 -1.011579868e+00 -1.011579868e+00 3.94 -9.829516930e-01 -9.829516930e-01 3.96 -9.550020887e-01 -9.550020887e-01 3.98 -9.277195364e-01 -9.277195364e-01 4.00 -9.010929561e-01 -9.010929561e-01 4.02 -8.751115569e-01 -8.751115569e-01 4.04 -8.497647248e-01 -8.497647248e-01 4.06 -8.250419426e-01 -8.250419426e-01 4.08 -8.009327352e-01 -8.009327352e-01 4.10 -7.774266353e-01 -7.774266353e-01 4.12 -7.545131639e-01 -7.545131639e-01 4.14 -7.321818229e-01 -7.321818229e-01 4.16 -7.104220938e-01 -7.104220938e-01 4.18 -6.892234431e-01 -6.892234431e-01 4.20 -6.685753302e-01 -6.685753302e-01 4.22 -6.484672171e-01 -6.484672171e-01 4.24 -6.288885793e-01 -6.288885793e-01 4.26 -6.098010022e-01 -6.098010022e-01 4.28 -5.906388458e-01 -5.906388458e-01 4.30 -5.699427270e-01 -5.699427270e-01 4.32 -5.474931988e-01 -5.474931988e-01 4.34 -5.292411964e-01 -5.292411964e-01 4.36 -5.129285765e-01 -5.129285765e-01 4.38 -4.970635758e-01 -4.970635758e-01 4.40 -4.816364014e-01 -4.816364014e-01 4.42 -4.666373515e-01 -4.666373515e-01 4.44 -4.520568220e-01 -4.520568220e-01 4.46 -4.378853121e-01 -4.378853121e-01 4.48 -4.241134303e-01 -4.241134303e-01 4.50 -4.107318987e-01 -4.107318987e-01 4.52 -3.977315578e-01 -3.977315578e-01 4.54 -3.851033706e-01 -3.851033706e-01 4.56 -3.728384256e-01 -3.728384256e-01 4.58 -3.609279410e-01 -3.609279410e-01 4.60 -3.493632664e-01 -3.493632664e-01 4.62 -3.381358861e-01 -3.381358861e-01 4.64 -3.272374209e-01 -3.272374209e-01 4.66 -3.166596299e-01 -3.166596299e-01 4.68 -3.063944121e-01 -3.063944121e-01 4.70 -2.964338075e-01 -2.964338075e-01 4.72 -2.867699981e-01 -2.867699981e-01 4.74 -2.773953088e-01 -2.773953088e-01 4.76 -2.683022075e-01 -2.683022075e-01 4.78 -2.594833059e-01 -2.594833059e-01 4.80 -2.509313587e-01 -2.509313587e-01 4.82 -2.426392646e-01 -2.426392646e-01 4.84 -2.346000647e-01 -2.346000647e-01 4.86 -2.268069432e-01 -2.268069432e-01 4.88 -2.192532257e-01 -2.192532257e-01 4.90 -2.119323794e-01 -2.119323794e-01 4.92 -2.041913967e-01 -2.041913967e-01 4.94 -1.880803301e-01 -1.880803301e-01 4.96 -1.454288225e-01 -1.454288225e-01 4.98 -6.526169494e-02 -6.526169494e-02 5.00 -4.359101924e-24 -4.355168896e-24 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00