# 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 = BiCu2Fe # 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 5.467982603e+02 5.467982603e+02 0.86 5.153129673e+02 5.153129673e+02 0.88 4.855721861e+02 4.855721861e+02 0.90 4.574821636e+02 4.574821636e+02 0.92 4.309540490e+02 4.309540490e+02 0.94 4.059036433e+02 4.059036433e+02 0.96 3.822511618e+02 3.822511618e+02 0.98 3.599210085e+02 3.599210085e+02 1.00 3.388415614e+02 3.388415614e+02 1.02 3.189449676e+02 3.189449676e+02 1.04 3.001669441e+02 3.001669441e+02 1.06 2.824465703e+02 2.824465703e+02 1.08 2.657260385e+02 2.657260385e+02 1.10 2.499502869e+02 2.499502869e+02 1.12 2.350664020e+02 2.350664020e+02 1.14 2.210226620e+02 2.210226620e+02 1.16 2.077671763e+02 2.077671763e+02 1.18 1.952462643e+02 1.952462643e+02 1.20 1.834029973e+02 1.834029973e+02 1.22 1.721765611e+02 1.721765611e+02 1.24 1.615031552e+02 1.615031552e+02 1.26 1.513188931e+02 1.513188931e+02 1.28 1.415646019e+02 1.415646019e+02 1.30 1.321916484e+02 1.321916484e+02 1.32 1.231672438e+02 1.231672438e+02 1.34 1.144774642e+02 1.144774642e+02 1.36 1.061267406e+02 1.061267406e+02 1.38 9.813370832e+01 9.813370832e+01 1.40 9.052456980e+01 9.052456980e+01 1.42 8.332587072e+01 8.332587072e+01 1.44 7.655851131e+01 7.655851131e+01 1.46 7.023407406e+01 7.023407406e+01 1.48 6.435362665e+01 6.435362665e+01 1.50 5.890847807e+01 5.890847807e+01 1.52 5.388209015e+01 5.388209015e+01 1.54 4.925240397e+01 4.925240397e+01 1.56 4.499406294e+01 4.499406294e+01 1.58 4.108025747e+01 4.108025747e+01 1.60 3.748410317e+01 3.748410317e+01 1.62 3.417957860e+01 3.417957860e+01 1.64 3.114210046e+01 3.114210046e+01 1.66 2.834882702e+01 2.834882702e+01 1.68 2.577877214e+01 2.577877214e+01 1.70 2.341279622e+01 2.341279622e+01 1.72 2.123352313e+01 2.123352313e+01 1.74 1.922521722e+01 1.922521722e+01 1.76 1.737364308e+01 1.737364308e+01 1.78 1.566592222e+01 1.566592222e+01 1.80 1.409039489e+01 1.409039489e+01 1.82 1.263649154e+01 1.263649154e+01 1.84 1.129461594e+01 1.129461594e+01 1.86 1.005604034e+01 1.005604034e+01 1.88 8.912812331e+00 8.912812331e+00 1.90 7.857672622e+00 7.857672622e+00 1.92 6.883982546e+00 6.883982546e+00 1.94 5.985660357e+00 5.985660357e+00 1.96 5.157125162e+00 5.157125162e+00 1.98 4.393247587e+00 4.393247587e+00 2.00 3.689306239e+00 3.689306239e+00 2.02 3.040949263e+00 3.040949263e+00 2.04 2.444160268e+00 2.444160268e+00 2.06 1.895228089e+00 1.895228089e+00 2.08 1.390719841e+00 1.390719841e+00 2.10 9.274568927e-01 9.274568927e-01 2.12 5.024933332e-01 5.024933332e-01 2.14 1.130966668e-01 1.130966668e-01 2.16 -2.432695623e-01 -2.432695623e-01 2.18 -5.689614468e-01 -5.689614468e-01 2.20 -8.661688763e-01 -8.661688763e-01 2.22 -1.136928385e+00 -1.136928385e+00 2.24 -1.383134801e+00 -1.383134801e+00 2.26 -1.606551870e+00 -1.606551870e+00 2.28 -1.808821918e+00 -1.808821918e+00 2.30 -1.991474706e+00 -1.991474706e+00 2.32 -2.155935516e+00 -2.155935516e+00 2.34 -2.303532580e+00 -2.303532580e+00 2.36 -2.435503896e+00 -2.435503896e+00 2.38 -2.553003505e+00 -2.553003505e+00 2.40 -2.657107274e+00 -2.657107274e+00 2.42 -2.748818232e+00 -2.748818232e+00 2.44 -2.829071509e+00 -2.829071509e+00 2.46 -2.898738892e+00 -2.898738892e+00 2.48 -2.958633069e+00 -2.958633069e+00 2.50 -3.009511543e+00 -3.009511543e+00 2.52 -3.052080286e+00 -3.052080286e+00 2.54 -3.086997124e+00 -3.086997124e+00 2.56 -3.114874895e+00 -3.114874895e+00 2.58 -3.136284385e+00 -3.136284385e+00 2.60 -3.151757073e+00 -3.151757073e+00 2.62 -3.161787679e+00 -3.161787679e+00 2.64 -3.166836559e+00 -3.166836559e+00 2.66 -3.167331929e+00 -3.167331929e+00 2.68 -3.163671949e+00 -3.163671949e+00 2.70 -3.156226679e+00 -3.156226679e+00 2.72 -3.145339894e+00 -3.145339894e+00 2.74 -3.131330797e+00 -3.131330797e+00 2.76 -3.114495616e+00 -3.114495616e+00 2.78 -3.095109103e+00 -3.095109103e+00 2.80 -3.073425936e+00 -3.073425936e+00 2.82 -3.049682032e+00 -3.049682032e+00 2.84 -3.024095786e+00 -3.024095786e+00 2.86 -2.996869221e+00 -2.996869221e+00 2.88 -2.968189072e+00 -2.968189072e+00 2.90 -2.938227805e+00 -2.938227805e+00 2.92 -2.907144568e+00 -2.907144568e+00 2.94 -2.875086083e+00 -2.875086083e+00 2.96 -2.842187486e+00 -2.842187486e+00 2.98 -2.808573111e+00 -2.808573111e+00 3.00 -2.774357227e+00 -2.774357227e+00 3.02 -2.739644725e+00 -2.739644725e+00 3.04 -2.704531770e+00 -2.704531770e+00 3.06 -2.669106406e+00 -2.669106406e+00 3.08 -2.633449120e+00 -2.633449120e+00 3.10 -2.597633378e+00 -2.597633378e+00 3.12 -2.561726124e+00 -2.561726124e+00 3.14 -2.525788244e+00 -2.525788244e+00 3.16 -2.489875004e+00 -2.489875004e+00 3.18 -2.454036458e+00 -2.454036458e+00 3.20 -2.418317833e+00 -2.418317833e+00 3.22 -2.382759883e+00 -2.382759883e+00 3.24 -2.347399227e+00 -2.347399227e+00 3.26 -2.312268658e+00 -2.312268658e+00 3.28 -2.277397438e+00 -2.277397438e+00 3.30 -2.242811569e+00 -2.242811569e+00 3.32 -2.208534047e+00 -2.208534047e+00 3.34 -2.174585101e+00 -2.174585101e+00 3.36 -2.140982413e+00 -2.140982413e+00 3.38 -2.107741143e+00 -2.107741143e+00 3.40 -2.073696513e+00 -2.073696513e+00 3.42 -2.027741817e+00 -2.027741817e+00 3.44 -1.947550732e+00 -1.947550732e+00 3.46 -1.843590634e+00 -1.843590634e+00 3.48 -1.808914812e+00 -1.808914812e+00 3.50 -1.779435088e+00 -1.779435088e+00 3.52 -1.750390988e+00 -1.750390988e+00 3.54 -1.721784003e+00 -1.721784003e+00 3.56 -1.693614623e+00 -1.693614623e+00 3.58 -1.665882432e+00 -1.665882432e+00 3.60 -1.638586194e+00 -1.638586194e+00 3.62 -1.611723940e+00 -1.611723940e+00 3.64 -1.585293045e+00 -1.585293045e+00 3.66 -1.559290297e+00 -1.559290297e+00 3.68 -1.533711963e+00 -1.533711963e+00 3.70 -1.508553852e+00 -1.508553852e+00 3.72 -1.483811370e+00 -1.483811370e+00 3.74 -1.459479571e+00 -1.459479571e+00 3.76 -1.435553205e+00 -1.435553205e+00 3.78 -1.412026763e+00 -1.412026763e+00 3.80 -1.388894514e+00 -1.388894514e+00 3.82 -1.366150548e+00 -1.366150548e+00 3.84 -1.343788801e+00 -1.343788801e+00 3.86 -1.321803093e+00 -1.321803093e+00 3.88 -1.300187154e+00 -1.300187154e+00 3.90 -1.278934648e+00 -1.278934648e+00 3.92 -1.255700883e+00 -1.255700883e+00 3.94 -1.200345677e+00 -1.200345677e+00 3.96 -1.028270413e+00 -1.028270413e+00 3.98 -5.985041571e-01 -5.985041571e-01 4.00 -3.924772834e-22 -3.927064434e-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 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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