# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiCuFe2 # 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 2026-06-16 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 3.498153014e+02 3.498153014e+02 0.86 3.293384155e+02 3.293384155e+02 0.88 3.099908022e+02 3.099908022e+02 0.90 2.917122358e+02 2.917122358e+02 0.92 2.744456355e+02 2.744456355e+02 0.94 2.581369032e+02 2.581369032e+02 0.96 2.427347706e+02 2.427347706e+02 0.98 2.281906535e+02 2.281906535e+02 1.00 2.144585130e+02 2.144585130e+02 1.02 2.014947252e+02 2.014947252e+02 1.04 1.892579554e+02 1.892579554e+02 1.06 1.777090408e+02 1.777090408e+02 1.08 1.668108778e+02 1.668108778e+02 1.10 1.565283153e+02 1.565283153e+02 1.12 1.468280536e+02 1.468280536e+02 1.14 1.376785489e+02 1.376785489e+02 1.16 1.290499214e+02 1.290499214e+02 1.18 1.209138694e+02 1.209138694e+02 1.20 1.132435872e+02 1.132435872e+02 1.22 1.060136872e+02 1.060136872e+02 1.24 9.920012616e+01 9.920012616e+01 1.26 9.278013514e+01 9.278013514e+01 1.28 8.673215317e+01 8.673215317e+01 1.30 8.103576416e+01 8.103576416e+01 1.32 7.567163727e+01 7.567163727e+01 1.34 7.062147014e+01 7.062147014e+01 1.36 6.586793525e+01 6.586793525e+01 1.38 6.139462894e+01 6.139462894e+01 1.40 5.718602312e+01 5.718602312e+01 1.42 5.322741941e+01 5.322741941e+01 1.44 4.950490579e+01 4.950490579e+01 1.46 4.600531534e+01 4.600531534e+01 1.48 4.271618724e+01 4.271618724e+01 1.50 3.962572974e+01 3.962572974e+01 1.52 3.672278506e+01 3.672278506e+01 1.54 3.399679612e+01 3.399679612e+01 1.56 3.143777498e+01 3.143777498e+01 1.58 2.903627298e+01 2.903627298e+01 1.60 2.678335231e+01 2.678335231e+01 1.62 2.467055918e+01 2.467055918e+01 1.64 2.268989835e+01 2.268989835e+01 1.66 2.083380893e+01 2.083380893e+01 1.68 1.909514150e+01 1.909514150e+01 1.70 1.746713639e+01 1.746713639e+01 1.72 1.594340310e+01 1.594340310e+01 1.74 1.451790080e+01 1.451790080e+01 1.76 1.318491981e+01 1.318491981e+01 1.78 1.193906405e+01 1.193906405e+01 1.80 1.077523448e+01 1.077523448e+01 1.82 9.688613250e+00 9.688613250e+00 1.84 8.674648839e+00 8.674648839e+00 1.86 7.729041842e+00 7.729041842e+00 1.88 6.847731566e+00 6.847731566e+00 1.90 6.026883297e+00 6.026883297e+00 1.92 5.262876240e+00 5.262876240e+00 1.94 4.552292080e+00 4.552292080e+00 1.96 3.891904141e+00 3.891904141e+00 1.98 3.278667119e+00 3.278667119e+00 2.00 2.709707334e+00 2.709707334e+00 2.02 2.182313509e+00 2.182313509e+00 2.04 1.693928015e+00 1.693928015e+00 2.06 1.242138583e+00 1.242138583e+00 2.08 8.246704465e-01 8.246704465e-01 2.10 4.393788959e-01 4.393788959e-01 2.12 8.424222081e-02 8.424222081e-02 2.14 -2.426449761e-01 -2.426449761e-01 2.16 -5.430781123e-01 -5.430781123e-01 2.18 -8.187486326e-01 -8.187486326e-01 2.20 -1.071249690e+00 -1.071249690e+00 2.22 -1.302081542e+00 -1.302081542e+00 2.24 -1.512656643e+00 -1.512656643e+00 2.26 -1.704304492e+00 -1.704304492e+00 2.28 -1.878276202e+00 -1.878276202e+00 2.30 -2.035748840e+00 -2.035748840e+00 2.32 -2.177829537e+00 -2.177829537e+00 2.34 -2.305559373e+00 -2.305559373e+00 2.36 -2.419917064e+00 -2.419917064e+00 2.38 -2.521822443e+00 -2.521822443e+00 2.40 -2.612139770e+00 -2.612139770e+00 2.42 -2.691680845e+00 -2.691680845e+00 2.44 -2.761207977e+00 -2.761207977e+00 2.46 -2.821436776e+00 -2.821436776e+00 2.48 -2.873038803e+00 -2.873038803e+00 2.50 -2.916644078e+00 -2.916644078e+00 2.52 -2.952843451e+00 -2.952843451e+00 2.54 -2.982190844e+00 -2.982190844e+00 2.56 -3.005205371e+00 -3.005205371e+00 2.58 -3.022373352e+00 -3.022373352e+00 2.60 -3.034150202e+00 -3.034150202e+00 2.62 -3.040962229e+00 -3.040962229e+00 2.64 -3.043208332e+00 -3.043208332e+00 2.66 -3.041261600e+00 -3.041261600e+00 2.68 -3.035470833e+00 -3.035470833e+00 2.70 -3.026161967e+00 -3.026161967e+00 2.72 -3.013639433e+00 -3.013639433e+00 2.74 -2.998187433e+00 -2.998187433e+00 2.76 -2.980071144e+00 -2.980071144e+00 2.78 -2.959537865e+00 -2.959537865e+00 2.80 -2.936818086e+00 -2.936818086e+00 2.82 -2.912126510e+00 -2.912126510e+00 2.84 -2.885663008e+00 -2.885663008e+00 2.86 -2.857613528e+00 -2.857613528e+00 2.88 -2.828150946e+00 -2.828150946e+00 2.90 -2.797435872e+00 -2.797435872e+00 2.92 -2.765617412e+00 -2.765617412e+00 2.94 -2.732833883e+00 -2.732833883e+00 2.96 -2.699213488e+00 -2.699213488e+00 2.98 -2.664874955e+00 -2.664874955e+00 3.00 -2.629928135e+00 -2.629928135e+00 3.02 -2.594474568e+00 -2.594474568e+00 3.04 -2.558608016e+00 -2.558608016e+00 3.06 -2.522414965e+00 -2.522414965e+00 3.08 -2.485975094e+00 -2.485975094e+00 3.10 -2.449361724e+00 -2.449361724e+00 3.12 -2.412642235e+00 -2.412642235e+00 3.14 -2.375878455e+00 -2.375878455e+00 3.16 -2.339127038e+00 -2.339127038e+00 3.18 -2.302439804e+00 -2.302439804e+00 3.20 -2.265864073e+00 -2.265864073e+00 3.22 -2.229442968e+00 -2.229442968e+00 3.24 -2.193215705e+00 -2.193215705e+00 3.26 -2.157217864e+00 -2.157217864e+00 3.28 -2.121481645e+00 -2.121481645e+00 3.30 -2.086036106e+00 -2.086036106e+00 3.32 -2.050907385e+00 -2.050907385e+00 3.34 -2.016118917e+00 -2.016118917e+00 3.36 -1.981691622e+00 -1.981691622e+00 3.38 -1.947644087e+00 -1.947644087e+00 3.40 -1.913917476e+00 -1.913917476e+00 3.42 -1.879869750e+00 -1.879869750e+00 3.44 -1.844420122e+00 -1.844420122e+00 3.46 -1.808564778e+00 -1.808564778e+00 3.48 -1.776861818e+00 -1.776861818e+00 3.50 -1.745832846e+00 -1.745832846e+00 3.52 -1.715247900e+00 -1.715247900e+00 3.54 -1.685112373e+00 -1.685112373e+00 3.56 -1.655430585e+00 -1.655430585e+00 3.58 -1.626205876e+00 -1.626205876e+00 3.60 -1.597440687e+00 -1.597440687e+00 3.62 -1.569136644e+00 -1.569136644e+00 3.64 -1.541294623e+00 -1.541294623e+00 3.66 -1.513914825e+00 -1.513914825e+00 3.68 -1.486996838e+00 -1.486996838e+00 3.70 -1.460539692e+00 -1.460539692e+00 3.72 -1.434541919e+00 -1.434541919e+00 3.74 -1.409001600e+00 -1.409001600e+00 3.76 -1.383916411e+00 -1.383916411e+00 3.78 -1.359283673e+00 -1.359283673e+00 3.80 -1.335100384e+00 -1.335100384e+00 3.82 -1.311363263e+00 -1.311363263e+00 3.84 -1.288068780e+00 -1.288068780e+00 3.86 -1.265213191e+00 -1.265213191e+00 3.88 -1.242792563e+00 -1.242792563e+00 3.90 -1.220802806e+00 -1.220802806e+00 3.92 -1.197141388e+00 -1.197141388e+00 3.94 -1.144734024e+00 -1.144734024e+00 3.96 -9.861434905e-01 -9.861434905e-01 3.98 -5.830691702e-01 -5.830691702e-01 4.00 -4.075278742e-22 -4.072559198e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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