# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuPd2Pt # 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 2026-08-31 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 4.230870453e+06 4.230870453e+06 0.88 3.873408713e+06 3.873408713e+06 0.90 3.547664311e+06 3.547664311e+06 0.92 3.250251173e+06 3.250251173e+06 0.94 2.978195912e+06 2.978195912e+06 0.96 2.728884854e+06 2.728884854e+06 0.98 2.500043630e+06 2.500043630e+06 1.00 2.289657657e+06 2.289657657e+06 1.02 2.095963982e+06 2.095963982e+06 1.04 1.917368587e+06 1.917368587e+06 1.06 1.752457012e+06 1.752457012e+06 1.08 1.599992747e+06 1.599992747e+06 1.10 1.458833714e+06 1.458833714e+06 1.12 1.327987035e+06 1.327987035e+06 1.14 1.206567497e+06 1.206567497e+06 1.16 1.093761753e+06 1.093761753e+06 1.18 9.888505302e+05 9.888505302e+05 1.20 8.911908716e+05 8.911908716e+05 1.22 8.001911547e+05 8.001911547e+05 1.24 7.152945382e+05 7.152945382e+05 1.26 6.360224220e+05 6.360224220e+05 1.28 5.619394951e+05 5.619394951e+05 1.30 4.926533755e+05 4.926533755e+05 1.32 4.277890589e+05 4.277890589e+05 1.34 3.670046492e+05 3.670046492e+05 1.36 3.100070422e+05 3.100070422e+05 1.38 2.565292590e+05 2.565292590e+05 1.40 2.080989677e+05 2.080989677e+05 1.42 1.661393507e+05 1.661393507e+05 1.44 1.325445398e+05 1.325445398e+05 1.46 1.058555544e+05 1.058555544e+05 1.48 8.462573082e+04 8.462573082e+04 1.50 6.771612147e+04 6.771612147e+04 1.52 5.423181505e+04 5.423181505e+04 1.54 4.346773955e+04 4.346773955e+04 1.56 3.486613337e+04 3.486613337e+04 1.58 2.798453925e+04 2.798453925e+04 1.60 2.247171955e+04 2.247171955e+04 1.62 1.805209025e+04 1.805209025e+04 1.64 1.450663355e+04 1.450663355e+04 1.66 1.166059613e+04 1.166059613e+04 1.68 9.374736598e+03 9.374736598e+03 1.70 7.538038069e+03 7.538038069e+03 1.72 6.061738056e+03 6.061738056e+03 1.74 4.874746929e+03 4.874746929e+03 1.76 3.920099972e+03 3.920099972e+03 1.78 3.152180616e+03 3.152180616e+03 1.80 2.534312801e+03 2.534312801e+03 1.82 2.036947780e+03 2.036947780e+03 1.84 1.636592126e+03 1.636592126e+03 1.86 1.314366497e+03 1.314366497e+03 1.88 1.055070264e+03 1.055070264e+03 1.90 8.464544363e+02 8.464544363e+02 1.92 6.786449863e+02 6.786449863e+02 1.94 5.436928536e+02 5.436928536e+02 1.96 4.352069713e+02 4.352069713e+02 1.98 3.480365654e+02 3.480365654e+02 2.00 2.780261777e+02 2.780261777e+02 2.02 2.218182906e+02 2.218182906e+02 2.04 1.767164597e+02 1.767164597e+02 2.06 1.405479455e+02 1.405479455e+02 2.08 1.115608591e+02 1.115608591e+02 2.10 8.834146100e+01 8.834146100e+01 2.12 6.975066784e+01 6.975066784e+01 2.14 5.487296822e+01 5.487296822e+01 2.16 4.296799499e+01 4.296799499e+01 2.18 3.344693756e+01 3.344693756e+01 2.20 2.583616021e+01 2.583616021e+01 2.22 1.975484285e+01 1.975484285e+01 2.24 1.489755705e+01 1.489755705e+01 2.26 1.101876955e+01 1.101876955e+01 2.28 7.921487855e+00 7.921487855e+00 2.30 5.447837096e+00 5.447837096e+00 2.32 3.471418112e+00 3.471418112e+00 2.34 1.891173667e+00 1.891173667e+00 2.36 6.264410966e-01 6.264410966e-01 2.38 -3.870420716e-01 -3.870420716e-01 2.40 -1.200382545e+00 -1.200382545e+00 2.42 -1.854179770e+00 -1.854179770e+00 2.44 -2.380631273e+00 -2.380631273e+00 2.46 -2.805244290e+00 -2.805244290e+00 2.48 -3.148164754e+00 -3.148164754e+00 2.50 -3.425284473e+00 -3.425284473e+00 2.52 -3.649136290e+00 -3.649136290e+00 2.54 -3.829596285e+00 -3.829596285e+00 2.56 -3.974445075e+00 -3.974445075e+00 2.58 -4.089815475e+00 -4.089815475e+00 2.60 -4.180548627e+00 -4.180548627e+00 2.62 -4.250476537e+00 -4.250476537e+00 2.64 -4.302645537e+00 -4.302645537e+00 2.66 -4.339492421e+00 -4.339492421e+00 2.68 -4.362982764e+00 -4.362982764e+00 2.70 -4.374698190e+00 -4.374698190e+00 2.72 -4.375938731e+00 -4.375938731e+00 2.74 -4.367808162e+00 -4.367808162e+00 2.76 -4.351249390e+00 -4.351249390e+00 2.78 -4.327080487e+00 -4.327080487e+00 2.80 -4.296023471e+00 -4.296023471e+00 2.82 -4.258663571e+00 -4.258663571e+00 2.84 -4.215507497e+00 -4.215507497e+00 2.86 -4.167054989e+00 -4.167054989e+00 2.88 -4.113795992e+00 -4.113795992e+00 2.90 -4.056191090e+00 -4.056191090e+00 2.92 -3.994674848e+00 -3.994674848e+00 2.94 -3.929659042e+00 -3.929659042e+00 2.96 -3.861507207e+00 -3.861507207e+00 2.98 -3.790562155e+00 -3.790562155e+00 3.00 -3.717177114e+00 -3.717177114e+00 3.02 -3.641688170e+00 -3.641688170e+00 3.04 -3.564414683e+00 -3.564414683e+00 3.06 -3.485659563e+00 -3.485659563e+00 3.08 -3.405709461e+00 -3.405709461e+00 3.10 -3.324834930e+00 -3.324834930e+00 3.12 -3.243290587e+00 -3.243290587e+00 3.14 -3.161315300e+00 -3.161315300e+00 3.16 -3.079132413e+00 -3.079132413e+00 3.18 -2.996950013e+00 -2.996950013e+00 3.20 -2.914961253e+00 -2.914961253e+00 3.22 -2.833344717e+00 -2.833344717e+00 3.24 -2.752264831e+00 -2.752264831e+00 3.26 -2.671872319e+00 -2.671872319e+00 3.28 -2.592304690e+00 -2.592304690e+00 3.30 -2.513648792e+00 -2.513648792e+00 3.32 -2.435957506e+00 -2.435957506e+00 3.34 -2.359308367e+00 -2.359308367e+00 3.36 -2.283786089e+00 -2.283786089e+00 3.38 -2.209472251e+00 -2.209472251e+00 3.40 -2.136438863e+00 -2.136438863e+00 3.42 -2.064748906e+00 -2.064748906e+00 3.44 -1.994456872e+00 -1.994456872e+00 3.46 -1.925601676e+00 -1.925601676e+00 3.48 -1.858193024e+00 -1.858193024e+00 3.50 -1.792260341e+00 -1.792260341e+00 3.52 -1.727829671e+00 -1.727829671e+00 3.54 -1.664921198e+00 -1.664921198e+00 3.56 -1.603549690e+00 -1.603549690e+00 3.58 -1.543724922e+00 -1.543724922e+00 3.60 -1.485452079e+00 -1.485452079e+00 3.62 -1.428732143e+00 -1.428732143e+00 3.64 -1.373562257e+00 -1.373562257e+00 3.66 -1.319936072e+00 -1.319936072e+00 3.68 -1.267844078e+00 -1.267844078e+00 3.70 -1.217273905e+00 -1.217273905e+00 3.72 -1.168210621e+00 -1.168210621e+00 3.74 -1.120636999e+00 -1.120636999e+00 3.76 -1.074533777e+00 -1.074533777e+00 3.78 -1.029879887e+00 -1.029879887e+00 3.80 -9.866526875e-01 -9.866526875e-01 3.82 -9.448281595e-01 -9.448281595e-01 3.84 -9.043811037e-01 -9.043811037e-01 3.86 -8.652853147e-01 -8.652853147e-01 3.88 -8.275137444e-01 -8.275137444e-01 3.90 -7.910386525e-01 -7.910386525e-01 3.92 -7.558317443e-01 -7.558317443e-01 3.94 -7.218642976e-01 -7.218642976e-01 3.96 -6.891072781e-01 -6.891072781e-01 3.98 -6.575314453e-01 -6.575314453e-01 4.00 -6.271074484e-01 -6.271074484e-01 4.02 -5.978059133e-01 -5.978059133e-01 4.04 -5.695975214e-01 -5.695975214e-01 4.06 -5.424530806e-01 -5.424530806e-01 4.08 -5.163435890e-01 -5.163435890e-01 4.10 -4.912402916e-01 -4.912402916e-01 4.12 -4.671147312e-01 -4.671147312e-01 4.14 -4.439387930e-01 -4.439387930e-01 4.16 -4.216847443e-01 -4.216847443e-01 4.18 -4.003252687e-01 -4.003252687e-01 4.20 -3.798334965e-01 -3.798334965e-01 4.22 -3.601830300e-01 -3.601830300e-01 4.24 -3.413479655e-01 -3.413479655e-01 4.26 -3.233029117e-01 -3.233029117e-01 4.28 -3.060230047e-01 -3.060230047e-01 4.30 -2.894839203e-01 -2.894839203e-01 4.32 -2.736618831e-01 -2.736618831e-01 4.34 -2.585336737e-01 -2.585336737e-01 4.36 -2.440766335e-01 -2.440766335e-01 4.38 -2.302686674e-01 -2.302686674e-01 4.40 -2.170882446e-01 -2.170882446e-01 4.42 -2.045143981e-01 -2.045143981e-01 4.44 -1.925267222e-01 -1.925267222e-01 4.46 -1.811053695e-01 -1.811053695e-01 4.48 -1.702310460e-01 -1.702310460e-01 4.50 -1.598850055e-01 -1.598850055e-01 4.52 -1.500490427e-01 -1.500490427e-01 4.54 -1.407054866e-01 -1.407054866e-01 4.56 -1.318371915e-01 -1.318371915e-01 4.58 -1.234275291e-01 -1.234275291e-01 4.60 -1.154603789e-01 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-1.366038085e-06 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