# 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 = CoCrW2 # 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 1.236113470e+03 1.236113470e+03 1.00 1.142101717e+03 1.142101717e+03 1.02 1.055908902e+03 1.055908902e+03 1.04 9.748030677e+02 9.748030677e+02 1.06 9.010127568e+02 9.010127568e+02 1.08 8.364382912e+02 8.364382912e+02 1.10 7.790285959e+02 7.790285959e+02 1.12 7.270298703e+02 7.270298703e+02 1.14 6.780004647e+02 6.780004647e+02 1.16 6.315177903e+02 6.315177903e+02 1.18 5.875360451e+02 5.875360451e+02 1.20 5.459934058e+02 5.459934058e+02 1.22 5.068178893e+02 5.068178893e+02 1.24 4.699311976e+02 4.699311976e+02 1.26 4.352511544e+02 4.352511544e+02 1.28 4.026932516e+02 4.026932516e+02 1.30 3.721716422e+02 3.721716422e+02 1.32 3.435997884e+02 3.435997884e+02 1.34 3.168909262e+02 3.168909262e+02 1.36 2.919584300e+02 2.919584300e+02 1.38 2.687161307e+02 2.687161307e+02 1.40 2.470786128e+02 2.470786128e+02 1.42 2.269615072e+02 2.269615072e+02 1.44 2.082817827e+02 2.082817827e+02 1.46 1.909580300e+02 1.909580300e+02 1.48 1.749107350e+02 1.749107350e+02 1.50 1.600625364e+02 1.600625364e+02 1.52 1.463384600e+02 1.463384600e+02 1.54 1.336661266e+02 1.336661266e+02 1.56 1.219759269e+02 1.219759269e+02 1.58 1.112011624e+02 1.112011624e+02 1.60 1.012781580e+02 1.012781580e+02 1.62 9.214633856e+01 9.214633856e+01 1.64 8.374827267e+01 8.374827267e+01 1.66 7.602968591e+01 7.602968591e+01 1.68 6.893944643e+01 6.893944643e+01 1.70 6.242952614e+01 6.242952614e+01 1.72 5.645494021e+01 5.645494021e+01 1.74 5.097366608e+01 5.097366608e+01 1.76 4.594654799e+01 4.594654799e+01 1.78 4.133718913e+01 4.133718913e+01 1.80 3.711183507e+01 3.711183507e+01 1.82 3.323925079e+01 3.323925079e+01 1.84 2.969058852e+01 2.969058852e+01 1.86 2.643925525e+01 2.643925525e+01 1.88 2.346077998e+01 2.346077998e+01 1.90 2.073268199e+01 2.073268199e+01 1.92 1.823434107e+01 1.823434107e+01 1.94 1.594687083e+01 1.594687083e+01 1.96 1.385299579e+01 1.385299579e+01 1.98 1.193691893e+01 1.193691893e+01 2.00 1.018416024e+01 1.018416024e+01 2.02 8.581443167e+00 8.581443167e+00 2.04 7.116610021e+00 7.116610021e+00 2.06 5.778540756e+00 5.778540756e+00 2.08 4.557073840e+00 4.557073840e+00 2.10 3.442927707e+00 3.442927707e+00 2.12 2.427592550e+00 2.427592550e+00 2.14 1.503226110e+00 1.503226110e+00 2.16 6.625972185e-01 6.625972185e-01 2.18 -1.009617696e-01 -1.009617696e-01 2.20 -7.935988783e-01 -7.935988783e-01 2.22 -1.420982944e+00 -1.420982944e+00 2.24 -1.988340836e+00 -1.988340836e+00 2.26 -2.500491841e+00 -2.500491841e+00 2.28 -2.961879300e+00 -2.961879300e+00 2.30 -3.376599790e+00 -3.376599790e+00 2.32 -3.748430060e+00 -3.748430060e+00 2.34 -4.080851833e+00 -4.080851833e+00 2.36 -4.377074690e+00 -4.377074690e+00 2.38 -4.640057177e+00 -4.640057177e+00 2.40 -4.872525011e+00 -4.872525011e+00 2.42 -5.076988842e+00 -5.076988842e+00 2.44 -5.255762798e+00 -5.255762798e+00 2.46 -5.410979834e+00 -5.410979834e+00 2.48 -5.544605768e+00 -5.544605768e+00 2.50 -5.658452216e+00 -5.658452216e+00 2.52 -5.754188532e+00 -5.754188532e+00 2.54 -5.833352834e+00 -5.833352834e+00 2.56 -5.897362174e+00 -5.897362174e+00 2.58 -5.947521929e+00 -5.947521929e+00 2.60 -5.985034480e+00 -5.985034480e+00 2.62 -6.010983497e+00 -6.010983497e+00 2.64 -6.026270665e+00 -6.026270665e+00 2.66 -6.031716970e+00 -6.031716970e+00 2.68 -6.028092285e+00 -6.028092285e+00 2.70 -6.016117850e+00 -6.016117850e+00 2.72 -5.996469197e+00 -5.996469197e+00 2.74 -5.969778898e+00 -5.969778898e+00 2.76 -5.936639141e+00 -5.936639141e+00 2.78 -5.897604155e+00 -5.897604155e+00 2.80 -5.853192491e+00 -5.853192491e+00 2.82 -5.803889159e+00 -5.803889159e+00 2.84 -5.750147645e+00 -5.750147645e+00 2.86 -5.692391803e+00 -5.692391803e+00 2.88 -5.631017635e+00 -5.631017635e+00 2.90 -5.566394964e+00 -5.566394964e+00 2.92 -5.498869008e+00 -5.498869008e+00 2.94 -5.428761866e+00 -5.428761866e+00 2.96 -5.356373901e+00 -5.356373901e+00 2.98 -5.281985061e+00 -5.281985061e+00 3.00 -5.205856105e+00 -5.205856105e+00 3.02 -5.128229767e+00 -5.128229767e+00 3.04 -5.049331846e+00 -5.049331846e+00 3.06 -4.969372232e+00 -4.969372232e+00 3.08 -4.888545878e+00 -4.888545878e+00 3.10 -4.807033704e+00 -4.807033704e+00 3.12 -4.725003458e+00 -4.725003458e+00 3.14 -4.642610518e+00 -4.642610518e+00 3.16 -4.559998656e+00 -4.559998656e+00 3.18 -4.477300748e+00 -4.477300748e+00 3.20 -4.394639448e+00 -4.394639448e+00 3.22 -4.312127822e+00 -4.312127822e+00 3.24 -4.229869941e+00 -4.229869941e+00 3.26 -4.147961447e+00 -4.147961447e+00 3.28 -4.066490074e+00 -4.066490074e+00 3.30 -3.985536153e+00 -3.985536153e+00 3.32 -3.905173072e+00 -3.905173072e+00 3.34 -3.825467724e+00 -3.825467724e+00 3.36 -3.746480915e+00 -3.746480915e+00 3.38 -3.668267759e+00 -3.668267759e+00 3.40 -3.590878044e+00 -3.590878044e+00 3.42 -3.514356577e+00 -3.514356577e+00 3.44 -3.438743509e+00 -3.438743509e+00 3.46 -3.364074642e+00 -3.364074642e+00 3.48 -3.290381720e+00 -3.290381720e+00 3.50 -3.217692693e+00 -3.217692693e+00 3.52 -3.146031979e+00 -3.146031979e+00 3.54 -3.075420701e+00 -3.075420701e+00 3.56 -3.005876912e+00 -3.005876912e+00 3.58 -2.937415811e+00 -2.937415811e+00 3.60 -2.870049936e+00 -2.870049936e+00 3.62 -2.803789359e+00 -2.803789359e+00 3.64 -2.738641857e+00 -2.738641857e+00 3.66 -2.674613080e+00 -2.674613080e+00 3.68 -2.611706709e+00 -2.611706709e+00 3.70 -2.549924599e+00 -2.549924599e+00 3.72 -2.489266917e+00 -2.489266917e+00 3.74 -2.429732272e+00 -2.429732272e+00 3.76 -2.371317840e+00 -2.371317840e+00 3.78 -2.314019469e+00 -2.314019469e+00 3.80 -2.257831796e+00 -2.257831796e+00 3.82 -2.202748341e+00 -2.202748341e+00 3.84 -2.148761601e+00 -2.148761601e+00 3.86 -2.095863142e+00 -2.095863142e+00 3.88 -2.044043680e+00 -2.044043680e+00 3.90 -1.993293156e+00 -1.993293156e+00 3.92 -1.943600812e+00 -1.943600812e+00 3.94 -1.894955259e+00 -1.894955259e+00 3.96 -1.847344536e+00 -1.847344536e+00 3.98 -1.800756176e+00 -1.800756176e+00 4.00 -1.755177256e+00 -1.755177256e+00 4.02 -1.710594453e+00 -1.710594453e+00 4.04 -1.666994089e+00 -1.666994089e+00 4.06 -1.624362181e+00 -1.624362181e+00 4.08 -1.582684479e+00 -1.582684479e+00 4.10 -1.541946506e+00 -1.541946506e+00 4.12 -1.502133597e+00 -1.502133597e+00 4.14 -1.463230930e+00 -1.463230930e+00 4.16 -1.425223563e+00 -1.425223563e+00 4.18 -1.388096456e+00 -1.388096456e+00 4.20 -1.351834506e+00 -1.351834506e+00 4.22 -1.316422566e+00 -1.316422566e+00 4.24 -1.281845473e+00 -1.281845473e+00 4.26 -1.247828813e+00 -1.247828813e+00 4.28 -1.209222340e+00 -1.209222340e+00 4.30 -1.152704901e+00 -1.152704901e+00 4.32 -1.076532169e+00 -1.076532169e+00 4.34 -1.035509389e+00 -1.035509389e+00 4.36 -1.008744171e+00 -1.008744171e+00 4.38 -9.826020320e-01 -9.826020320e-01 4.40 -9.570715888e-01 -9.570715888e-01 4.42 -9.321415081e-01 -9.321415081e-01 4.44 -9.078005161e-01 -9.078005161e-01 4.46 -8.840374087e-01 -8.840374087e-01 4.48 -8.608410600e-01 -8.608410600e-01 4.50 -8.382004305e-01 -8.382004305e-01 4.52 -8.161045745e-01 -8.161045745e-01 4.54 -7.945426468e-01 -7.945426468e-01 4.56 -7.735039088e-01 -7.735039088e-01 4.58 -7.529777340e-01 -7.529777340e-01 4.60 -7.329536137e-01 -7.329536137e-01 4.62 -7.134211604e-01 -7.134211604e-01 4.64 -6.943701131e-01 -6.943701131e-01 4.66 -6.757903401e-01 -6.757903401e-01 4.68 -6.576718424e-01 -6.576718424e-01 4.70 -6.400047569e-01 -6.400047569e-01 4.72 -6.227793584e-01 -6.227793584e-01 4.74 -6.059860621e-01 -6.059860621e-01 4.76 -5.896154252e-01 -5.896154252e-01 4.78 -5.736581485e-01 -5.736581485e-01 4.80 -5.581050775e-01 -5.581050775e-01 4.82 -5.429472037e-01 -5.429472037e-01 4.84 -5.281756649e-01 -5.281756649e-01 4.86 -5.137817462e-01 -5.137817462e-01 4.88 -4.997568796e-01 -4.997568796e-01 4.90 -4.860926450e-01 -4.860926450e-01 4.92 -4.713340760e-01 -4.713340760e-01 4.94 -4.375428269e-01 -4.375428269e-01 4.96 -3.427979451e-01 -3.427979451e-01 4.98 -1.583782797e-01 -1.583782797e-01 5.00 -9.621152418e-24 -9.604194693e-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 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