# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoFe2Ni # 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 2024-04-11 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 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.496722968e+02 1.496722968e+02 1.30 1.363046954e+02 1.363046954e+02 1.32 1.240745218e+02 1.240745218e+02 1.34 1.128752288e+02 1.128752288e+02 1.36 1.026141548e+02 1.026141548e+02 1.38 9.321130871e+01 9.321130871e+01 1.40 8.459653484e+01 8.459653484e+01 1.42 7.670677095e+01 7.670677095e+01 1.44 6.948418530e+01 6.948418530e+01 1.46 6.287522734e+01 6.287522734e+01 1.48 5.683034434e+01 5.683034434e+01 1.50 5.130389133e+01 5.130389133e+01 1.52 4.625386754e+01 4.625386754e+01 1.54 4.164149696e+01 4.164149696e+01 1.56 3.743079962e+01 3.743079962e+01 1.58 3.358822133e+01 3.358822133e+01 1.60 3.008235982e+01 3.008235982e+01 1.62 2.688378409e+01 2.688378409e+01 1.64 2.396628166e+01 2.396628166e+01 1.66 2.130535490e+01 2.130535490e+01 1.68 1.887819220e+01 1.887819220e+01 1.70 1.666397470e+01 1.666397470e+01 1.72 1.464374247e+01 1.464374247e+01 1.74 1.280023314e+01 1.280023314e+01 1.76 1.111777126e+01 1.111777126e+01 1.78 9.582249651e+00 9.582249651e+00 1.80 8.181141023e+00 8.181141023e+00 1.82 6.903435935e+00 6.903435935e+00 1.84 5.739454941e+00 5.739454941e+00 1.86 4.680564190e+00 4.680564190e+00 1.88 3.718868859e+00 3.718868859e+00 1.90 2.846953053e+00 2.846953053e+00 1.92 2.057704292e+00 2.057704292e+00 1.94 1.344233090e+00 1.344233090e+00 1.96 6.998779948e-01 6.998779948e-01 1.98 1.182706116e-01 1.182706116e-01 2.00 -4.065715895e-01 -4.065715895e-01 2.02 -8.801539451e-01 -8.801539451e-01 2.04 -1.307437626e+00 -1.307437626e+00 2.06 -1.692810682e+00 -1.692810682e+00 2.08 -2.040099508e+00 -2.040099508e+00 2.10 -2.352615108e+00 -2.352615108e+00 2.12 -2.633224268e+00 -2.633224268e+00 2.14 -2.884432870e+00 -2.884432870e+00 2.16 -3.108467758e+00 -3.108467758e+00 2.18 -3.307347058e+00 -3.307347058e+00 2.20 -3.482934923e+00 -3.482934923e+00 2.22 -3.636981439e+00 -3.636981439e+00 2.24 -3.771149771e+00 -3.771149771e+00 2.26 -3.887032406e+00 -3.887032406e+00 2.28 -3.986158846e+00 -3.986158846e+00 2.30 -4.069997345e+00 -4.069997345e+00 2.32 -4.139951455e+00 -4.139951455e+00 2.34 -4.197358713e+00 -4.197358713e+00 2.36 -4.243502889e+00 -4.243502889e+00 2.38 -4.279442718e+00 -4.279442718e+00 2.40 -4.306100121e+00 -4.306100121e+00 2.42 -4.324276193e+00 -4.324276193e+00 2.44 -4.334660760e+00 -4.334660760e+00 2.46 -4.337857016e+00 -4.337857016e+00 2.48 -4.334404293e+00 -4.334404293e+00 2.50 -4.324590075e+00 -4.324590075e+00 2.52 -4.308574213e+00 -4.308574213e+00 2.54 -4.286595179e+00 -4.286595179e+00 2.56 -4.258963832e+00 -4.258963832e+00 2.58 -4.226046751e+00 -4.226046751e+00 2.60 -4.188245980e+00 -4.188245980e+00 2.62 -4.145853365e+00 -4.145853365e+00 2.64 -4.098877937e+00 -4.098877937e+00 2.66 -4.047348725e+00 -4.047348725e+00 2.68 -3.991353302e+00 -3.991353302e+00 2.70 -3.931029777e+00 -3.931029777e+00 2.72 -3.866565497e+00 -3.866565497e+00 2.74 -3.798197636e+00 -3.798197636e+00 2.76 -3.726211622e+00 -3.726211622e+00 2.78 -3.650935473e+00 -3.650935473e+00 2.80 -3.572730480e+00 -3.572730480e+00 2.82 -3.491980007e+00 -3.491980007e+00 2.84 -3.409078145e+00 -3.409078145e+00 2.86 -3.324418973e+00 -3.324418973e+00 2.88 -3.238386319e+00 -3.238386319e+00 2.90 -3.151343819e+00 -3.151343819e+00 2.92 -3.063625692e+00 -3.063625692e+00 2.94 -2.975529292e+00 -2.975529292e+00 2.96 -2.887310642e+00 -2.887310642e+00 2.98 -2.799183599e+00 -2.799183599e+00 3.00 -2.711322379e+00 -2.711322379e+00 3.02 -2.623866360e+00 -2.623866360e+00 3.04 -2.536925783e+00 -2.536925783e+00 3.06 -2.450587414e+00 -2.450587414e+00 3.08 -2.364920086e+00 -2.364920086e+00 3.10 -2.279980808e+00 -2.279980808e+00 3.12 -2.195822265e+00 -2.195822265e+00 3.14 -2.112501971e+00 -2.112501971e+00 3.16 -2.030092386e+00 -2.030092386e+00 3.18 -1.948690543e+00 -1.948690543e+00 3.20 -1.868425467e+00 -1.868425467e+00 3.22 -1.789461884e+00 -1.789461884e+00 3.24 -1.711999275e+00 -1.711999275e+00 3.26 -1.636266014e+00 -1.636266014e+00 3.28 -1.562509038e+00 -1.562509038e+00 3.30 -1.490980138e+00 -1.490980138e+00 3.32 -1.421920488e+00 -1.421920488e+00 3.34 -1.355545279e+00 -1.355545279e+00 3.36 -1.292030334e+00 -1.292030334e+00 3.38 -1.231502190e+00 -1.231502190e+00 3.40 -1.174032585e+00 -1.174032585e+00 3.42 -1.119637557e+00 -1.119637557e+00 3.44 -1.068280698e+00 -1.068280698e+00 3.46 -1.019879655e+00 -1.019879655e+00 3.48 -9.743146891e-01 -9.743146891e-01 3.50 -9.314381266e-01 -9.314381266e-01 3.52 -8.910836730e-01 -8.910836730e-01 3.54 -8.530748680e-01 -8.530748680e-01 3.56 -8.172322293e-01 -8.172322293e-01 3.58 -7.833789082e-01 -7.833789082e-01 3.60 -7.513448852e-01 -7.513448852e-01 3.62 -7.209698670e-01 -7.209698670e-01 3.64 -6.921051187e-01 -6.921051187e-01 3.66 -6.646144875e-01 -6.646144875e-01 3.68 -6.383748590e-01 -6.383748590e-01 3.70 -6.132762526e-01 -6.132762526e-01 3.72 -5.892217101e-01 -5.892217101e-01 3.74 -5.661270727e-01 -5.661270727e-01 3.76 -5.439206831e-01 -5.439206831e-01 3.78 -5.225429860e-01 -5.225429860e-01 3.80 -5.019459557e-01 -5.019459557e-01 3.82 -4.820922485e-01 -4.820922485e-01 3.84 -4.629539797e-01 -4.629539797e-01 3.86 -4.445110702e-01 -4.445110702e-01 3.88 -4.267491797e-01 -4.267491797e-01 3.90 -4.096573469e-01 -4.096573469e-01 3.92 -3.932255459e-01 -3.932255459e-01 3.94 -3.774424222e-01 -3.774424222e-01 3.96 -3.622934643e-01 -3.622934643e-01 3.98 -3.477597996e-01 -3.477597996e-01 4.00 -3.338176893e-01 -3.338176893e-01 4.02 -3.204386824e-01 -3.204386824e-01 4.04 -3.075902979e-01 -3.075902979e-01 4.06 -2.952370513e-01 -2.952370513e-01 4.08 -2.833414542e-01 -2.833414542e-01 4.10 -2.718656779e-01 -2.718656779e-01 4.12 -2.607725402e-01 -2.607725402e-01 4.14 -2.500262905e-01 -2.500262905e-01 4.16 -2.395935140e-01 -2.395935140e-01 4.18 -2.294438651e-01 -2.294438651e-01 4.20 -2.195506428e-01 -2.195506428e-01 4.22 -2.098912134e-01 -2.098912134e-01 4.24 -2.004472764e-01 -2.004472764e-01 4.26 -1.912049718e-01 -1.912049718e-01 4.28 -1.821548326e-01 -1.821548326e-01 4.30 -1.732916057e-01 -1.732916057e-01 4.32 -1.646139810e-01 -1.646139810e-01 4.34 -1.561242845e-01 -1.561242845e-01 4.36 -1.478280867e-01 -1.478280867e-01 4.38 -1.397339942e-01 -1.397339942e-01 4.40 -1.318537002e-01 -1.318537002e-01 4.42 -1.242013407e-01 -1.242013407e-01 4.44 -1.167930431e-01 -1.167930431e-01 4.46 -1.096462727e-01 -1.096462727e-01 4.48 -1.027789275e-01 -1.027789275e-01 4.50 -9.620820341e-02 -9.620820341e-02 4.52 -8.994932502e-02 -8.994932502e-02 4.54 -8.401428365e-02 -8.401428365e-02 4.56 -7.841074531e-02 -7.841074531e-02 4.58 -7.314127074e-02 -7.314127074e-02 4.60 -6.820294165e-02 -6.820294165e-02 4.62 -6.358742202e-02 -6.358742202e-02 4.64 -5.928142014e-02 -5.928142014e-02 4.66 -5.526746892e-02 -5.526746892e-02 4.68 -5.152491671e-02 -5.152491671e-02 4.70 -4.803101798e-02 -4.803101798e-02 4.72 -4.476202777e-02 -4.476202777e-02 4.74 -4.169422782e-02 -4.169422782e-02 4.76 -3.880483803e-02 -3.880483803e-02 4.78 -3.607278875e-02 -3.607278875e-02 4.80 -3.347934402e-02 -3.347934402e-02 4.82 -3.100857438e-02 -3.100857438e-02 4.84 -2.864767365e-02 -2.864767365e-02 4.86 -2.638712145e-02 -2.638712145e-02 4.88 -2.422068280e-02 -2.422068280e-02 4.90 -2.214523722e-02 -2.214523722e-02 4.92 -2.016043776e-02 -2.016043776e-02 4.94 -1.826821086e-02 -1.826821086e-02 4.96 -1.647210335e-02 -1.647210335e-02 4.98 -1.477615275e-02 -1.477615275e-02 5.00 -1.318509823e-02 -1.318509823e-02 5.02 -1.170336445e-02 -1.170336445e-02 5.04 -1.033419559e-02 -1.033419559e-02 5.06 -9.079234022e-03 -9.079234022e-03 5.08 -7.938287685e-03 -7.938287685e-03 5.10 -6.909286818e-03 -6.909286818e-03 5.12 -5.988406789e-03 -5.988406789e-03 5.14 -5.170317048e-03 -5.170317048e-03 5.16 -4.448508616e-03 -4.448508616e-03 5.18 -3.815653552e-03 -3.815653552e-03 5.20 -3.263957160e-03 -3.263957160e-03 5.22 -2.785474489e-03 -2.785474489e-03 5.24 -2.372374056e-03 -2.372374056e-03 5.26 -2.017141867e-03 -2.017141867e-03 5.28 -1.712726489e-03 -1.712726489e-03 5.30 -1.452631077e-03 -1.452631077e-03 5.32 -1.230960934e-03 -1.230960934e-03 5.34 -1.042436121e-03 -1.042436121e-03 5.36 -8.823782509e-04 -8.823782509e-04 5.38 -7.466795133e-04 -7.466795133e-04 5.40 -6.317605809e-04 -6.317605809e-04 5.42 -5.345225900e-04 -5.345225900e-04 5.44 -4.522970391e-04 -4.522970391e-04 5.46 -3.827963139e-04 -3.827963139e-04 5.48 -3.240666217e-04 -3.240666217e-04 5.50 -2.744444108e-04 -2.744444108e-04 5.52 -2.325168272e-04 -2.325168272e-04 5.54 -1.970863921e-04 -1.970863921e-04 5.56 -1.671398381e-04 -1.671398381e-04 5.58 -1.418208822e-04 -1.418208822e-04 5.60 -1.204066265e-04 -1.204066265e-04 5.62 -1.022872350e-04 -1.022872350e-04 5.64 -8.694852084e-05 -8.694852084e-05 5.66 -7.395709170e-05 -7.395709170e-05 5.68 -6.294772046e-05 -6.294772046e-05 5.70 -5.361263749e-05 -5.361263749e-05 5.72 -4.569247280e-05 -4.569247280e-05 5.74 -3.896860732e-05 -3.896860732e-05 5.76 -3.325672321e-05 -3.325672321e-05 5.78 -2.840137109e-05 -2.840137109e-05 5.80 -2.427139765e-05 -2.427139765e-05 5.82 -2.075609963e-05 -2.075609963e-05 5.84 -1.776198997e-05 -1.776198997e-05 5.86 -1.521007933e-05 -1.521007933e-05 5.88 -1.303359109e-05 -1.303359109e-05 5.90 -1.117604058e-05 -1.117604058e-05 5.92 -9.589620340e-06 -9.589620340e-06 5.94 -8.233842195e-06 -8.233842195e-06 5.96 -7.074395181e-06 -7.074395181e-06 5.98 -6.082184480e-06 -6.082184480e-06 6.00 -5.232522452e-06 -5.232522452e-06