# 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 = Co2NiW # 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 8.230171214e+02 8.230171214e+02 1.00 7.480267261e+02 7.480267261e+02 1.02 6.798410342e+02 6.798410342e+02 1.04 6.159249466e+02 6.159249466e+02 1.06 5.555336796e+02 5.555336796e+02 1.08 4.991101563e+02 4.991101563e+02 1.10 4.468672466e+02 4.468672466e+02 1.12 3.988539645e+02 3.988539645e+02 1.14 3.550024855e+02 3.550024855e+02 1.16 3.151640930e+02 3.151640930e+02 1.18 2.791364411e+02 2.791364411e+02 1.20 2.466840863e+02 2.466840863e+02 1.22 2.175537855e+02 2.175537855e+02 1.24 1.914857326e+02 1.914857326e+02 1.26 1.682216742e+02 1.682216742e+02 1.28 1.475106212e+02 1.475106212e+02 1.30 1.291127298e+02 1.291127298e+02 1.32 1.128017940e+02 1.128017940e+02 1.34 9.836669470e+01 9.836669470e+01 1.36 8.561207949e+01 8.561207949e+01 1.38 7.435847412e+01 7.435847412e+01 1.40 6.444199231e+01 6.444199231e+01 1.42 5.571376545e+01 5.571376545e+01 1.44 4.803918273e+01 4.803918273e+01 1.46 4.129701815e+01 4.129701815e+01 1.48 3.537849178e+01 3.537849178e+01 1.50 3.018630487e+01 3.018630487e+01 1.52 2.563367820e+01 2.563367820e+01 1.54 2.164340464e+01 2.164340464e+01 1.56 1.814692965e+01 1.814692965e+01 1.58 1.508346698e+01 1.508346698e+01 1.60 1.239915331e+01 1.239915331e+01 1.62 1.004625497e+01 1.004625497e+01 1.64 7.982441181e+00 7.982441181e+00 1.66 6.170144943e+00 6.170144943e+00 1.68 4.576037116e+00 4.576037116e+00 1.70 3.170631526e+00 3.170631526e+00 1.72 1.928028092e+00 1.928028092e+00 1.74 8.257807334e-01 8.257807334e-01 1.76 -1.551645953e-01 -1.551645953e-01 1.78 -1.030557127e+00 -1.030557127e+00 1.80 -1.812933686e+00 -1.812933686e+00 1.82 -2.511728481e+00 -2.511728481e+00 1.84 -3.133522811e+00 -3.133522811e+00 1.86 -3.682477847e+00 -3.682477847e+00 1.88 -4.160941154e+00 -4.160941154e+00 1.90 -4.570179556e+00 -4.570179556e+00 1.92 -4.911160188e+00 -4.911160188e+00 1.94 -5.185282795e+00 -5.185282795e+00 1.96 -5.394967449e+00 -5.394967449e+00 1.98 -5.544023173e+00 -5.544023173e+00 2.00 -5.637758584e+00 -5.637758584e+00 2.02 -5.682843303e+00 -5.682843303e+00 2.04 -5.686967462e+00 -5.686967462e+00 2.06 -5.658374288e+00 -5.658374288e+00 2.08 -5.605350719e+00 -5.605350719e+00 2.10 -5.535755890e+00 -5.535755890e+00 2.12 -5.456671989e+00 -5.456671989e+00 2.14 -5.374170984e+00 -5.374170984e+00 2.16 -5.293169752e+00 -5.293169752e+00 2.18 -5.217396973e+00 -5.217396973e+00 2.20 -5.149450460e+00 -5.149450460e+00 2.22 -5.090919776e+00 -5.090919776e+00 2.24 -5.042543969e+00 -5.042543969e+00 2.26 -5.004380961e+00 -5.004380961e+00 2.28 -4.975972683e+00 -4.975972683e+00 2.30 -4.956494774e+00 -4.956494774e+00 2.32 -4.944876330e+00 -4.944876330e+00 2.34 -4.939904772e+00 -4.939904772e+00 2.36 -4.940321373e+00 -4.940321373e+00 2.38 -4.944883791e+00 -4.944883791e+00 2.40 -4.952409931e+00 -4.952409931e+00 2.42 -4.961807123e+00 -4.961807123e+00 2.44 -4.972089642e+00 -4.972089642e+00 2.46 -4.982387277e+00 -4.982387277e+00 2.48 -4.991947276e+00 -4.991947276e+00 2.50 -5.000131569e+00 -5.000131569e+00 2.52 -5.006410811e+00 -5.006410811e+00 2.54 -5.010356407e+00 -5.010356407e+00 2.56 -5.011631428e+00 -5.011631428e+00 2.58 -5.009981055e+00 -5.009981055e+00 2.60 -5.005223041e+00 -5.005223041e+00 2.62 -4.997238588e+00 -4.997238588e+00 2.64 -4.985968677e+00 -4.985968677e+00 2.66 -4.971406979e+00 -4.971406979e+00 2.68 -4.953584874e+00 -4.953584874e+00 2.70 -4.932564475e+00 -4.932564475e+00 2.72 -4.908432970e+00 -4.908432970e+00 2.74 -4.881297620e+00 -4.881297620e+00 2.76 -4.851281389e+00 -4.851281389e+00 2.78 -4.818519151e+00 -4.818519151e+00 2.80 -4.783154424e+00 -4.783154424e+00 2.82 -4.745336574e+00 -4.745336574e+00 2.84 -4.705218453e+00 -4.705218453e+00 2.86 -4.662954398e+00 -4.662954398e+00 2.88 -4.618698578e+00 -4.618698578e+00 2.90 -4.572603624e+00 -4.572603624e+00 2.92 -4.524819509e+00 -4.524819509e+00 2.94 -4.475492658e+00 -4.475492658e+00 2.96 -4.424765240e+00 -4.424765240e+00 2.98 -4.372774620e+00 -4.372774620e+00 3.00 -4.319652963e+00 -4.319652963e+00 3.02 -4.265526941e+00 -4.265526941e+00 3.04 -4.210517534e+00 -4.210517534e+00 3.06 -4.154739951e+00 -4.154739951e+00 3.08 -4.098303632e+00 -4.098303632e+00 3.10 -4.041312146e+00 -4.041312146e+00 3.12 -3.983863361e+00 -3.983863361e+00 3.14 -3.926049528e+00 -3.926049528e+00 3.16 -3.867957410e+00 -3.867957410e+00 3.18 -3.809668443e+00 -3.809668443e+00 3.20 -3.751258913e+00 -3.751258913e+00 3.22 -3.692800141e+00 -3.692800141e+00 3.24 -3.634358686e+00 -3.634358686e+00 3.26 -3.575996543e+00 -3.575996543e+00 3.28 -3.517771354e+00 -3.517771354e+00 3.30 -3.459736609e+00 -3.459736609e+00 3.32 -3.401941858e+00 -3.401941858e+00 3.34 -3.344432908e+00 -3.344432908e+00 3.36 -3.287252024e+00 -3.287252024e+00 3.38 -3.230438124e+00 -3.230438124e+00 3.40 -3.174026963e+00 -3.174026963e+00 3.42 -3.118051318e+00 -3.118051318e+00 3.44 -3.062541161e+00 -3.062541161e+00 3.46 -3.007523826e+00 -3.007523826e+00 3.48 -2.953024171e+00 -2.953024171e+00 3.50 -2.899064728e+00 -2.899064728e+00 3.52 -2.845665847e+00 -2.845665847e+00 3.54 -2.792845838e+00 -2.792845838e+00 3.56 -2.740621094e+00 -2.740621094e+00 3.58 -2.689006218e+00 -2.689006218e+00 3.60 -2.638014137e+00 -2.638014137e+00 3.62 -2.587656209e+00 -2.587656209e+00 3.64 -2.537942328e+00 -2.537942328e+00 3.66 -2.488881014e+00 -2.488881014e+00 3.68 -2.440479509e+00 -2.440479509e+00 3.70 -2.392743854e+00 -2.392743854e+00 3.72 -2.345678976e+00 -2.345678976e+00 3.74 -2.299288753e+00 -2.299288753e+00 3.76 -2.253576093e+00 -2.253576093e+00 3.78 -2.208542993e+00 -2.208542993e+00 3.80 -2.164190606e+00 -2.164190606e+00 3.82 -2.120519296e+00 -2.120519296e+00 3.84 -2.077528700e+00 -2.077528700e+00 3.86 -2.035217776e+00 -2.035217776e+00 3.88 -1.993584859e+00 -1.993584859e+00 3.90 -1.952627707e+00 -1.952627707e+00 3.92 -1.912343548e+00 -1.912343548e+00 3.94 -1.872729128e+00 -1.872729128e+00 3.96 -1.833780746e+00 -1.833780746e+00 3.98 -1.795494300e+00 -1.795494300e+00 4.00 -1.757865322e+00 -1.757865322e+00 4.02 -1.720889010e+00 -1.720889010e+00 4.04 -1.684560263e+00 -1.684560263e+00 4.06 -1.648873709e+00 -1.648873709e+00 4.08 -1.613823729e+00 -1.613823729e+00 4.10 -1.579404484e+00 -1.579404484e+00 4.12 -1.545609935e+00 -1.545609935e+00 4.14 -1.512433861e+00 -1.512433861e+00 4.16 -1.479869874e+00 -1.479869874e+00 4.18 -1.447911436e+00 -1.447911436e+00 4.20 -1.416551871e+00 -1.416551871e+00 4.22 -1.385784374e+00 -1.385784374e+00 4.24 -1.355602022e+00 -1.355602022e+00 4.26 -1.325886195e+00 -1.325886195e+00 4.28 -1.294273198e+00 -1.294273198e+00 4.30 -1.252562200e+00 -1.252562200e+00 4.32 -1.188514167e+00 -1.188514167e+00 4.34 -1.147450838e+00 -1.147450838e+00 4.36 -1.121219756e+00 -1.121219756e+00 4.38 -1.095521851e+00 -1.095521851e+00 4.40 -1.070349583e+00 -1.070349583e+00 4.42 -1.045695335e+00 -1.045695335e+00 4.44 -1.021551427e+00 -1.021551427e+00 4.46 -9.979101240e-01 -9.979101240e-01 4.48 -9.747636433e-01 -9.747636433e-01 4.50 -9.521041665e-01 -9.521041665e-01 4.52 -9.299238488e-01 -9.299238488e-01 4.54 -9.082148287e-01 -9.082148287e-01 4.56 -8.869692389e-01 -8.869692389e-01 4.58 -8.661792154e-01 -8.661792154e-01 4.60 -8.458369080e-01 -8.458369080e-01 4.62 -8.259344893e-01 -8.259344893e-01 4.64 -8.064641636e-01 -8.064641636e-01 4.66 -7.874181752e-01 -7.874181752e-01 4.68 -7.687888162e-01 -7.687888162e-01 4.70 -7.505684332e-01 -7.505684332e-01 4.72 -7.327494337e-01 -7.327494337e-01 4.74 -7.153242910e-01 -7.153242910e-01 4.76 -6.982855495e-01 -6.982855495e-01 4.78 -6.816258281e-01 -6.816258281e-01 4.80 -6.653378239e-01 -6.653378239e-01 4.82 -6.494143148e-01 -6.494143148e-01 4.84 -6.338481614e-01 -6.338481614e-01 4.86 -6.186323096e-01 -6.186323096e-01 4.88 -6.037597914e-01 -6.037597914e-01 4.90 -5.892237264e-01 -5.892237264e-01 4.92 -5.733169519e-01 -5.733169519e-01 4.94 -5.348406658e-01 -5.348406658e-01 4.96 -4.234107604e-01 -4.234107604e-01 4.98 -2.007861217e-01 -2.007861217e-01 5.00 -6.566548656e-23 -6.560716065e-23 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 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