# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-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 2022-05-24 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 1.069731948e+03 1.069731948e+03 1.00 9.821574081e+02 9.821574081e+02 1.02 9.025111192e+02 9.025111192e+02 1.04 8.299846066e+02 8.299846066e+02 1.06 7.638630857e+02 7.638630857e+02 1.08 7.035122698e+02 7.035122698e+02 1.10 6.483679297e+02 6.483679297e+02 1.12 5.979284288e+02 5.979284288e+02 1.14 5.517456383e+02 5.517456383e+02 1.16 5.094192415e+02 5.094192415e+02 1.18 4.705908522e+02 4.705908522e+02 1.20 4.349390780e+02 4.349390780e+02 1.22 4.021750060e+02 4.021750060e+02 1.24 3.720383377e+02 3.720383377e+02 1.26 3.442954302e+02 3.442954302e+02 1.28 3.187357146e+02 3.187357146e+02 1.30 2.951688946e+02 2.951688946e+02 1.32 2.734227350e+02 2.734227350e+02 1.34 2.533415932e+02 2.533415932e+02 1.36 2.347845385e+02 2.347845385e+02 1.38 2.176239033e+02 2.176239033e+02 1.40 2.017436274e+02 2.017436274e+02 1.42 1.870383137e+02 1.870383137e+02 1.44 1.734120990e+02 1.734120990e+02 1.46 1.607777068e+02 1.607777068e+02 1.48 1.490556222e+02 1.490556222e+02 1.50 1.381736388e+02 1.381736388e+02 1.52 1.280657065e+02 1.280657065e+02 1.54 1.186713990e+02 1.186713990e+02 1.56 1.099354563e+02 1.099354563e+02 1.58 1.018073598e+02 1.018073598e+02 1.60 9.424089585e+01 9.424089585e+01 1.62 8.719381095e+01 8.719381095e+01 1.64 8.062712396e+01 8.062712396e+01 1.66 7.450541183e+01 7.450541183e+01 1.68 6.879603260e+01 6.879603260e+01 1.70 6.346893626e+01 6.346893626e+01 1.72 5.849647672e+01 5.849647672e+01 1.74 5.385319031e+01 5.385319031e+01 1.76 4.951563101e+01 4.951563101e+01 1.78 4.546219164e+01 4.546219164e+01 1.80 4.167283759e+01 4.167283759e+01 1.82 3.812915412e+01 3.812915412e+01 1.84 3.481760822e+01 3.481760822e+01 1.86 3.172568527e+01 3.172568527e+01 1.88 2.883460214e+01 2.883460214e+01 1.90 2.614654449e+01 2.614654449e+01 1.92 2.364434679e+01 2.364434679e+01 1.94 2.131652410e+01 2.131652410e+01 1.96 1.915228165e+01 1.915228165e+01 1.98 1.714146121e+01 1.714146121e+01 2.00 1.527450951e+01 1.527450951e+01 2.02 1.354245939e+01 1.354245939e+01 2.04 1.193687696e+01 1.193687696e+01 2.06 1.044973581e+01 1.044973581e+01 2.08 9.073448192e+00 9.073448192e+00 2.10 7.801132955e+00 7.801132955e+00 2.12 6.625936917e+00 6.625936917e+00 2.14 5.541723256e+00 5.541723256e+00 2.16 4.542707005e+00 4.542707005e+00 2.18 3.623401731e+00 3.623401731e+00 2.20 2.778683113e+00 2.778683113e+00 2.22 2.003617895e+00 2.003617895e+00 2.24 1.293840055e+00 1.293840055e+00 2.26 6.450042065e-01 6.450042065e-01 2.28 5.297200171e-02 5.297200171e-02 2.30 -4.861299113e-01 -4.861299113e-01 2.32 -9.760143744e-01 -9.760143744e-01 2.34 -1.419885805e+00 -1.419885805e+00 2.36 -1.820798888e+00 -1.820798888e+00 2.38 -2.181842928e+00 -2.181842928e+00 2.40 -2.505431354e+00 -2.505431354e+00 2.42 -2.794297400e+00 -2.794297400e+00 2.44 -3.051222528e+00 -3.051222528e+00 2.46 -3.278522923e+00 -3.278522923e+00 2.48 -3.478375378e+00 -3.478375378e+00 2.50 -3.652824693e+00 -3.652824693e+00 2.52 -3.803552389e+00 -3.803552389e+00 2.54 -3.932551441e+00 -3.932551441e+00 2.56 -4.041525570e+00 -4.041525570e+00 2.58 -4.132044071e+00 -4.132044071e+00 2.60 -4.205574292e+00 -4.205574292e+00 2.62 -4.263457674e+00 -4.263457674e+00 2.64 -4.306929701e+00 -4.306929701e+00 2.66 -4.337492405e+00 -4.337492405e+00 2.68 -4.355800296e+00 -4.355800296e+00 2.70 -4.363072678e+00 -4.363072678e+00 2.72 -4.360348510e+00 -4.360348510e+00 2.74 -4.348531592e+00 -4.348531592e+00 2.76 -4.328451249e+00 -4.328451249e+00 2.78 -4.302083590e+00 -4.302083590e+00 2.80 -4.269708418e+00 -4.269708418e+00 2.82 -4.231194196e+00 -4.231194196e+00 2.84 -4.187167850e+00 -4.187167850e+00 2.86 -4.138214289e+00 -4.138214289e+00 2.88 -4.084875437e+00 -4.084875437e+00 2.90 -4.027638815e+00 -4.027638815e+00 2.92 -3.966682606e+00 -3.966682606e+00 2.94 -3.902611446e+00 -3.902611446e+00 2.96 -3.835984901e+00 -3.835984901e+00 2.98 -3.767169828e+00 -3.767169828e+00 3.00 -3.696505858e+00 -3.696505858e+00 3.02 -3.624331671e+00 -3.624331671e+00 3.04 -3.550712452e+00 -3.550712452e+00 3.06 -3.475912035e+00 -3.475912035e+00 3.08 -3.399207208e+00 -3.399207208e+00 3.10 -3.321916707e+00 -3.321916707e+00 3.12 -3.244432736e+00 -3.244432736e+00 3.14 -3.166919949e+00 -3.166919949e+00 3.16 -3.089547109e+00 -3.089547109e+00 3.18 -3.012464924e+00 -3.012464924e+00 3.20 -2.935809819e+00 -2.935809819e+00 3.22 -2.859704942e+00 -2.859704942e+00 3.24 -2.784243537e+00 -2.784243537e+00 3.26 -2.710440628e+00 -2.710440628e+00 3.28 -2.637738863e+00 -2.637738863e+00 3.30 -2.565900592e+00 -2.565900592e+00 3.32 -2.494998332e+00 -2.494998332e+00 3.34 -2.425097117e+00 -2.425097117e+00 3.36 -2.356254338e+00 -2.356254338e+00 3.38 -2.288520029e+00 -2.288520029e+00 3.40 -2.221949176e+00 -2.221949176e+00 3.42 -2.156733897e+00 -2.156733897e+00 3.44 -2.092728141e+00 -2.092728141e+00 3.46 -2.029958356e+00 -2.029958356e+00 3.48 -1.968444913e+00 -1.968444913e+00 3.50 -1.908207861e+00 -1.908207861e+00 3.52 -1.849255251e+00 -1.849255251e+00 3.54 -1.791596094e+00 -1.791596094e+00 3.56 -1.735243141e+00 -1.735243141e+00 3.58 -1.680172821e+00 -1.680172821e+00 3.60 -1.626341247e+00 -1.626341247e+00 3.62 -1.573713703e+00 -1.573713703e+00 3.64 -1.522315527e+00 -1.522315527e+00 3.66 -1.472199242e+00 -1.472199242e+00 3.68 -1.423394805e+00 -1.423394805e+00 3.70 -1.375802832e+00 -1.375802832e+00 3.72 -1.329320105e+00 -1.329320105e+00 3.74 -1.283895841e+00 -1.283895841e+00 3.76 -1.239580846e+00 -1.239580846e+00 3.78 -1.196442150e+00 -1.196442150e+00 3.80 -1.154527141e+00 -1.154527141e+00 3.82 -1.113820353e+00 -1.113820353e+00 3.84 -1.074291193e+00 -1.074291193e+00 3.86 -1.035893209e+00 -1.035893209e+00 3.88 -9.986059089e-01 -9.986059089e-01 3.90 -9.624104319e-01 -9.624104319e-01 3.92 -9.272939074e-01 -9.272939074e-01 3.94 -8.932459082e-01 -8.932459082e-01 3.96 -8.601833247e-01 -8.601833247e-01 3.98 -8.280439762e-01 -8.280439762e-01 4.00 -7.968468292e-01 -7.968468292e-01 4.02 -7.665909005e-01 -7.665909005e-01 4.04 -7.373188164e-01 -7.373188164e-01 4.06 -7.090598888e-01 -7.090598888e-01 4.08 -6.818310774e-01 -6.818310774e-01 4.10 -6.556441484e-01 -6.556441484e-01 4.12 -6.305894547e-01 -6.305894547e-01 4.14 -6.065869905e-01 -6.065869905e-01 4.16 -5.835173239e-01 -5.835173239e-01 4.18 -5.611955051e-01 -5.611955051e-01 4.20 -5.394675113e-01 -5.394675113e-01 4.22 -5.182192881e-01 -5.182192881e-01 4.24 -4.973690049e-01 -4.973690049e-01 4.26 -4.768605650e-01 -4.768605650e-01 4.28 -4.566581890e-01 -4.566581890e-01 4.30 -4.367419128e-01 -4.367419128e-01 4.32 -4.171038678e-01 -4.171038678e-01 4.34 -3.977452163e-01 -3.977452163e-01 4.36 -3.786522652e-01 -3.786522652e-01 4.38 -3.597972874e-01 -3.597972874e-01 4.40 -3.412350693e-01 -3.412350693e-01 4.42 -3.230643362e-01 -3.230643362e-01 4.44 -3.053635165e-01 -3.053635165e-01 4.46 -2.881915366e-01 -2.881915366e-01 4.48 -2.715911116e-01 -2.715911116e-01 4.50 -2.555915416e-01 -2.555915416e-01 4.52 -2.402110857e-01 -2.402110857e-01 4.54 -2.254589714e-01 -2.254589714e-01 4.56 -2.113368597e-01 -2.113368597e-01 4.58 -1.978210275e-01 -1.978210275e-01 4.60 -1.854660349e-01 -1.854660349e-01 4.62 -1.742076063e-01 -1.742076063e-01 4.64 -1.634628150e-01 -1.634628150e-01 4.66 -1.532351673e-01 -1.532351673e-01 4.68 -1.435075906e-01 -1.435075906e-01 4.70 -1.342621425e-01 -1.342621425e-01 4.72 -1.254803955e-01 -1.254803955e-01 4.74 -1.171436861e-01 -1.171436861e-01 4.76 -1.092333175e-01 -1.092333175e-01 4.78 -1.017307231e-01 -1.017307231e-01 4.80 -9.461281284e-02 -9.461281284e-02 4.82 -8.800810733e-02 -8.800810733e-02 4.84 -8.180339357e-02 -8.180339357e-02 4.86 -7.592223013e-02 -7.592223013e-02 4.88 -7.034906190e-02 -7.034906190e-02 4.90 -6.506887107e-02 -6.506887107e-02 4.92 -6.006719522e-02 -6.006719522e-02 4.94 -5.533013747e-02 -5.533013747e-02 4.96 -5.084436945e-02 -5.084436945e-02 4.98 -4.659712903e-02 -4.659712903e-02 5.00 -4.257621373e-02 -4.257621373e-02 5.02 -3.876997147e-02 -3.876997147e-02 5.04 -3.516728830e-02 -3.516728830e-02 5.06 -3.175757300e-02 -3.175757300e-02 5.08 -2.853074131e-02 -2.853074131e-02 5.10 -2.547719889e-02 -2.547719889e-02 5.12 -2.258782371e-02 -2.258782371e-02 5.14 -1.985394768e-02 -1.985394768e-02 5.16 -1.726733815e-02 -1.726733815e-02 5.18 -1.482017947e-02 -1.482017947e-02 5.20 -1.250505487e-02 -1.250505487e-02 5.22 -1.031492868e-02 -1.031492868e-02 5.24 -8.243128368e-03 -8.243128368e-03 5.26 -6.283288039e-03 -6.283288039e-03 5.28 -4.431988979e-03 -4.431988979e-03 5.30 -2.739473780e-03 -2.739473780e-03 5.32 -2.388245463e-03 -2.388245463e-03 5.34 -2.098099035e-03 -2.098099035e-03 5.36 -1.834638273e-03 -1.834638273e-03 5.38 -1.586892492e-03 -1.586892492e-03 5.40 -1.353956210e-03 -1.353956210e-03 5.42 -1.134974080e-03 -1.134974080e-03 5.44 -9.291382256e-04 -9.291382256e-04 5.46 -7.356857276e-04 -7.356857276e-04 5.48 -5.538962422e-04 -5.538962422e-04 5.50 -3.830897424e-04 -3.830897424e-04 5.52 -2.226243399e-04 -2.226243399e-04 5.54 -7.092660799e-05 -7.092660799e-05 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