# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Co # implementation = 2025--Sharifi-H--Fe-Ni-Co--LAMMPS--ipr1 # composition = CoFeNi2 # 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 6.243510686e+02 6.243510686e+02 1.00 5.691900647e+02 5.691900647e+02 1.02 5.195832919e+02 5.195832919e+02 1.04 4.747494993e+02 4.747494993e+02 1.06 4.340547944e+02 4.340547944e+02 1.08 3.969830289e+02 3.969830289e+02 1.10 3.631116560e+02 3.631116560e+02 1.12 3.320922332e+02 3.320922332e+02 1.14 3.036347827e+02 3.036347827e+02 1.16 2.774953255e+02 2.774953255e+02 1.18 2.534660365e+02 2.534660365e+02 1.20 2.313675193e+02 2.313675193e+02 1.22 2.110427926e+02 2.110427926e+02 1.24 1.923526512e+02 1.923526512e+02 1.26 1.751721129e+02 1.751721129e+02 1.28 1.593877220e+02 1.593877220e+02 1.30 1.448955201e+02 1.448955201e+02 1.32 1.315995301e+02 1.315995301e+02 1.34 1.194106314e+02 1.194106314e+02 1.36 1.082457308e+02 1.082457308e+02 1.38 9.802714928e+01 9.802714928e+01 1.40 8.868216741e+01 8.868216741e+01 1.42 8.014268235e+01 8.014268235e+01 1.44 7.234494162e+01 7.234494162e+01 1.46 6.522932857e+01 6.522932857e+01 1.48 5.874017982e+01 5.874017982e+01 1.50 5.282562127e+01 5.282562127e+01 1.52 4.743741434e+01 4.743741434e+01 1.54 4.253080542e+01 4.253080542e+01 1.56 3.806437383e+01 3.806437383e+01 1.58 3.399987873e+01 3.399987873e+01 1.60 3.030210277e+01 3.030210277e+01 1.62 2.693869365e+01 2.693869365e+01 1.64 2.388000379e+01 2.388000379e+01 1.66 2.109892878e+01 2.109892878e+01 1.68 1.857074678e+01 1.857074678e+01 1.70 1.627295824e+01 1.627295824e+01 1.72 1.418509749e+01 1.418509749e+01 1.74 1.228852495e+01 1.228852495e+01 1.76 1.056626066e+01 1.056626066e+01 1.78 9.002800668e+00 9.002800668e+00 1.80 7.583993158e+00 7.583993158e+00 1.82 6.296945158e+00 6.296945158e+00 1.84 5.129930188e+00 5.129930188e+00 1.86 4.072298064e+00 4.072298064e+00 1.88 3.114388621e+00 3.114388621e+00 1.90 2.247450127e+00 2.247450127e+00 1.92 1.463562252e+00 1.463562252e+00 1.94 7.555586892e-01 7.555586892e-01 1.96 1.169155752e-01 1.169155752e-01 1.98 -4.583421323e-01 -4.583421323e-01 2.00 -9.756891807e-01 -9.756891807e-01 2.02 -1.440141515e+00 -1.440141515e+00 2.04 -1.856294409e+00 -1.856294409e+00 2.06 -2.228357349e+00 -2.228357349e+00 2.08 -2.560186023e+00 -2.560186023e+00 2.10 -2.855311702e+00 -2.855311702e+00 2.12 -3.116969307e+00 -3.116969307e+00 2.14 -3.348137041e+00 -3.348137041e+00 2.16 -3.551550852e+00 -3.551550852e+00 2.18 -3.729710949e+00 -3.729710949e+00 2.20 -3.884900652e+00 -3.884900652e+00 2.22 -4.019206345e+00 -4.019206345e+00 2.24 -4.134534361e+00 -4.134534361e+00 2.26 -4.232626252e+00 -4.232626252e+00 2.28 -4.315072744e+00 -4.315072744e+00 2.30 -4.383326281e+00 -4.383326281e+00 2.32 -4.438703681e+00 -4.438703681e+00 2.34 -4.482396200e+00 -4.482396200e+00 2.36 -4.515492128e+00 -4.515492128e+00 2.38 -4.538986294e+00 -4.538986294e+00 2.40 -4.553787950e+00 -4.553787950e+00 2.42 -4.560729774e+00 -4.560729774e+00 2.44 -4.560577663e+00 -4.560577663e+00 2.46 -4.554031548e+00 -4.554031548e+00 2.48 -4.541729963e+00 -4.541729963e+00 2.50 -4.524255319e+00 -4.524255319e+00 2.52 -4.502138736e+00 -4.502138736e+00 2.54 -4.475864476e+00 -4.475864476e+00 2.56 -4.445873987e+00 -4.445873987e+00 2.58 -4.412569618e+00 -4.412569618e+00 2.60 -4.376318014e+00 -4.376318014e+00 2.62 -4.337453218e+00 -4.337453218e+00 2.64 -4.296279522e+00 -4.296279522e+00 2.66 -4.253074061e+00 -4.253074061e+00 2.68 -4.208089197e+00 -4.208089197e+00 2.70 -4.161554692e+00 -4.161554692e+00 2.72 -4.113679700e+00 -4.113679700e+00 2.74 -4.064654584e+00 -4.064654584e+00 2.76 -4.014652578e+00 -4.014652578e+00 2.78 -3.963831307e+00 -3.963831307e+00 2.80 -3.912334177e+00 -3.912334177e+00 2.82 -3.860291635e+00 -3.860291635e+00 2.84 -3.807822334e+00 -3.807822334e+00 2.86 -3.755034185e+00 -3.755034185e+00 2.88 -3.702025320e+00 -3.702025320e+00 2.90 -3.648884973e+00 -3.648884973e+00 2.92 -3.595694283e+00 -3.595694283e+00 2.94 -3.542527021e+00 -3.542527021e+00 2.96 -3.489450258e+00 -3.489450258e+00 2.98 -3.436524973e+00 -3.436524973e+00 3.00 -3.383806600e+00 -3.383806600e+00 3.02 -3.331345550e+00 -3.331345550e+00 3.04 -3.279187779e+00 -3.279187779e+00 3.06 -3.227374988e+00 -3.227374988e+00 3.08 -3.175944445e+00 -3.175944445e+00 3.10 -3.124930922e+00 -3.124930922e+00 3.12 -3.074365690e+00 -3.074365690e+00 3.14 -3.024277147e+00 -3.024277147e+00 3.16 -2.974691084e+00 -2.974691084e+00 3.18 -2.925630906e+00 -2.925630906e+00 3.20 -2.877117839e+00 -2.877117839e+00 3.22 -2.829171113e+00 -2.829171113e+00 3.24 -2.781808126e+00 -2.781808126e+00 3.26 -2.735044590e+00 -2.735044590e+00 3.28 -2.688894661e+00 -2.688894661e+00 3.30 -2.643371056e+00 -2.643371056e+00 3.32 -2.598485151e+00 -2.598485151e+00 3.34 -2.554247078e+00 -2.554247078e+00 3.36 -2.510665794e+00 -2.510665794e+00 3.38 -2.467749155e+00 -2.467749155e+00 3.40 -2.425503970e+00 -2.425503970e+00 3.42 -2.383936052e+00 -2.383936052e+00 3.44 -2.343050255e+00 -2.343050255e+00 3.46 -2.302850505e+00 -2.302850505e+00 3.48 -2.263339828e+00 -2.263339828e+00 3.50 -2.224520362e+00 -2.224520362e+00 3.52 -2.186393371e+00 -2.186393371e+00 3.54 -2.148959248e+00 -2.148959248e+00 3.56 -2.112217513e+00 -2.112217513e+00 3.58 -2.076166810e+00 -2.076166810e+00 3.60 -2.040804892e+00 -2.040804892e+00 3.62 -2.006128612e+00 -2.006128612e+00 3.64 -1.972133903e+00 -1.972133903e+00 3.66 -1.938815758e+00 -1.938815758e+00 3.68 -1.906168214e+00 -1.906168214e+00 3.70 -1.874184329e+00 -1.874184329e+00 3.72 -1.842856160e+00 -1.842856160e+00 3.74 -1.812174752e+00 -1.812174752e+00 3.76 -1.782130117e+00 -1.782130117e+00 3.78 -1.752711228e+00 -1.752711228e+00 3.80 -1.723906015e+00 -1.723906015e+00 3.82 -1.695701365e+00 -1.695701365e+00 3.84 -1.668083141e+00 -1.668083141e+00 3.86 -1.641036197e+00 -1.641036197e+00 3.88 -1.614544417e+00 -1.614544417e+00 3.90 -1.588590757e+00 -1.588590757e+00 3.92 -1.563157310e+00 -1.563157310e+00 3.94 -1.538225373e+00 -1.538225373e+00 3.96 -1.513775542e+00 -1.513775542e+00 3.98 -1.489787813e+00 -1.489787813e+00 4.00 -1.466241701e+00 -1.466241701e+00 4.02 -1.443116379e+00 -1.443116379e+00 4.04 -1.420390822e+00 -1.420390822e+00 4.06 -1.398043975e+00 -1.398043975e+00 4.08 -1.376054925e+00 -1.376054925e+00 4.10 -1.354403092e+00 -1.354403092e+00 4.12 -1.333068421e+00 -1.333068421e+00 4.14 -1.312031585e+00 -1.312031585e+00 4.16 -1.291274188e+00 -1.291274188e+00 4.18 -1.270778966e+00 -1.270778966e+00 4.20 -1.250529977e+00 -1.250529977e+00 4.22 -1.230512784e+00 -1.230512784e+00 4.24 -1.210714607e+00 -1.210714607e+00 4.26 -1.191185040e+00 -1.191185040e+00 4.28 -1.173100403e+00 -1.173100403e+00 4.30 -1.157502458e+00 -1.157502458e+00 4.32 -1.131256147e+00 -1.131256147e+00 4.34 -1.105513177e+00 -1.105513177e+00 4.36 -1.087578518e+00 -1.087578518e+00 4.38 -1.069792455e+00 -1.069792455e+00 4.40 -1.052158442e+00 -1.052158442e+00 4.42 -1.034681105e+00 -1.034681105e+00 4.44 -1.017366003e+00 -1.017366003e+00 4.46 -1.000219389e+00 -1.000219389e+00 4.48 -9.832479532e-01 -9.832479532e-01 4.50 -9.664585872e-01 -9.664585872e-01 4.52 -9.498581543e-01 -9.498581543e-01 4.54 -9.334532894e-01 -9.334532894e-01 4.56 -9.172502263e-01 -9.172502263e-01 4.58 -9.012546585e-01 -9.012546585e-01 4.60 -8.854716348e-01 -8.854716348e-01 4.62 -8.699054896e-01 -8.699054896e-01 4.64 -8.545598056e-01 -8.545598056e-01 4.66 -8.394374057e-01 -8.394374057e-01 4.68 -8.245403705e-01 -8.245403705e-01 4.70 -8.098700753e-01 -8.098700753e-01 4.72 -7.954272430e-01 -7.954272430e-01 4.74 -7.812120062e-01 -7.812120062e-01 4.76 -7.672239760e-01 -7.672239760e-01 4.78 -7.534623117e-01 -7.534623117e-01 4.80 -7.399257892e-01 -7.399257892e-01 4.82 -7.266128651e-01 -7.266128651e-01 4.84 -7.135217350e-01 -7.135217350e-01 4.86 -7.006503849e-01 -7.006503849e-01 4.88 -6.879966356e-01 -6.879966356e-01 4.90 -6.755581793e-01 -6.755581793e-01 4.92 -6.621066615e-01 -6.621066615e-01 4.94 -6.319495335e-01 -6.319495335e-01 4.96 -5.413074540e-01 -5.413074540e-01 4.98 -3.162976723e-01 -3.162976723e-01 5.00 -2.330333919e-22 -2.331702894e-22 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