# 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 = AlMo2W # 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 2.791067918e+02 2.791067918e+02 1.30 2.584276554e+02 2.584276554e+02 1.32 2.393130602e+02 2.393130602e+02 1.34 2.216280122e+02 2.216280122e+02 1.36 2.052473355e+02 2.052473355e+02 1.38 1.900566587e+02 1.900566587e+02 1.40 1.759531789e+02 1.759531789e+02 1.42 1.628455823e+02 1.628455823e+02 1.44 1.506530006e+02 1.506530006e+02 1.46 1.393035726e+02 1.393035726e+02 1.48 1.287334633e+02 1.287334633e+02 1.50 1.188865067e+02 1.188865067e+02 1.52 1.097138562e+02 1.097138562e+02 1.54 1.011731241e+02 1.011731241e+02 1.56 9.322706709e+01 9.322706709e+01 1.58 8.584209660e+01 8.584209660e+01 1.60 7.898680883e+01 7.898680883e+01 1.62 7.263068018e+01 7.263068018e+01 1.64 6.674311045e+01 6.674311045e+01 1.66 6.129299242e+01 6.129299242e+01 1.68 5.624886896e+01 5.624886896e+01 1.70 5.157953009e+01 5.157953009e+01 1.72 4.725473458e+01 4.725473458e+01 1.74 4.324577173e+01 4.324577173e+01 1.76 3.952578907e+01 3.952578907e+01 1.78 3.606999447e+01 3.606999447e+01 1.80 3.285585790e+01 3.285585790e+01 1.82 2.986359908e+01 2.986359908e+01 1.84 2.707691852e+01 2.707691852e+01 1.86 2.448524985e+01 2.448524985e+01 1.88 2.207703741e+01 2.207703741e+01 1.90 1.984236535e+01 1.984236535e+01 1.92 1.777083332e+01 1.777083332e+01 1.94 1.585264630e+01 1.585264630e+01 1.96 1.407836658e+01 1.407836658e+01 1.98 1.243876597e+01 1.243876597e+01 2.00 1.092481400e+01 1.092481400e+01 2.02 9.527710582e+00 9.527710582e+00 2.04 8.238900859e+00 8.238900859e+00 2.06 7.050059319e+00 7.050059319e+00 2.08 5.953070537e+00 5.953070537e+00 2.10 4.940048897e+00 4.940048897e+00 2.12 4.003424346e+00 4.003424346e+00 2.14 3.136087049e+00 3.136087049e+00 2.16 2.331552353e+00 2.331552353e+00 2.18 1.584095449e+00 1.584095449e+00 2.20 8.888161110e-01 8.888161110e-01 2.22 2.416192038e-01 2.416192038e-01 2.24 -3.608767698e-01 -3.608767698e-01 2.26 -9.214739627e-01 -9.214739627e-01 2.28 -1.442539862e+00 -1.442539862e+00 2.30 -1.926137110e+00 -1.926137110e+00 2.32 -2.374125387e+00 -2.374125387e+00 2.34 -2.788232743e+00 -2.788232743e+00 2.36 -3.170101082e+00 -3.170101082e+00 2.38 -3.521312912e+00 -3.521312912e+00 2.40 -3.843406301e+00 -3.843406301e+00 2.42 -4.137883003e+00 -4.137883003e+00 2.44 -4.406212306e+00 -4.406212306e+00 2.46 -4.649831347e+00 -4.649831347e+00 2.48 -4.870114217e+00 -4.870114217e+00 2.50 -5.068375096e+00 -5.068375096e+00 2.52 -5.245981776e+00 -5.245981776e+00 2.54 -5.404241607e+00 -5.404241607e+00 2.56 -5.544393613e+00 -5.544393613e+00 2.58 -5.667610018e+00 -5.667610018e+00 2.60 -5.774997419e+00 -5.774997419e+00 2.62 -5.867593274e+00 -5.867593274e+00 2.64 -5.946356640e+00 -5.946356640e+00 2.66 -6.011981428e+00 -6.011981428e+00 2.68 -6.065029064e+00 -6.065029064e+00 2.70 -6.106258267e+00 -6.106258267e+00 2.72 -6.136348446e+00 -6.136348446e+00 2.74 -6.155917344e+00 -6.155917344e+00 2.76 -6.165543730e+00 -6.165543730e+00 2.78 -6.165786909e+00 -6.165786909e+00 2.80 -6.157200415e+00 -6.157200415e+00 2.82 -6.140213034e+00 -6.140213034e+00 2.84 -6.114843679e+00 -6.114843679e+00 2.86 -6.081095545e+00 -6.081095545e+00 2.88 -6.039052995e+00 -6.039052995e+00 2.90 -5.988882547e+00 -5.988882547e+00 2.92 -5.931694276e+00 -5.931694276e+00 2.94 -5.867996760e+00 -5.867996760e+00 2.96 -5.797619239e+00 -5.797619239e+00 2.98 -5.720517357e+00 -5.720517357e+00 3.00 -5.636764962e+00 -5.636764962e+00 3.02 -5.546541336e+00 -5.546541336e+00 3.04 -5.450133060e+00 -5.450133060e+00 3.06 -5.347922994e+00 -5.347922994e+00 3.08 -5.240317119e+00 -5.240317119e+00 3.10 -5.127710330e+00 -5.127710330e+00 3.12 -5.010460780e+00 -5.010460780e+00 3.14 -4.888871203e+00 -4.888871203e+00 3.16 -4.763179681e+00 -4.763179681e+00 3.18 -4.633561028e+00 -4.633561028e+00 3.20 -4.500137991e+00 -4.500137991e+00 3.22 -4.363000473e+00 -4.363000473e+00 3.24 -4.222230315e+00 -4.222230315e+00 3.26 -4.077929179e+00 -4.077929179e+00 3.28 -3.930247312e+00 -3.930247312e+00 3.30 -3.779411205e+00 -3.779411205e+00 3.32 -3.625748196e+00 -3.625748196e+00 3.34 -3.469706053e+00 -3.469706053e+00 3.36 -3.311865429e+00 -3.311865429e+00 3.38 -3.152943184e+00 -3.152943184e+00 3.40 -2.993784957e+00 -2.993784957e+00 3.42 -2.835346154e+00 -2.835346154e+00 3.44 -2.678661701e+00 -2.678661701e+00 3.46 -2.524806366e+00 -2.524806366e+00 3.48 -2.374848774e+00 -2.374848774e+00 3.50 -2.229803343e+00 -2.229803343e+00 3.52 -2.090584791e+00 -2.090584791e+00 3.54 -1.957969604e+00 -1.957969604e+00 3.56 -1.832567883e+00 -1.832567883e+00 3.58 -1.714807515e+00 -1.714807515e+00 3.60 -1.604931017e+00 -1.604931017e+00 3.62 -1.503003877e+00 -1.503003877e+00 3.64 -1.408932126e+00 -1.408932126e+00 3.66 -1.322486262e+00 -1.322486262e+00 3.68 -1.243328566e+00 -1.243328566e+00 3.70 -1.171041108e+00 -1.171041108e+00 3.72 -1.105152337e+00 -1.105152337e+00 3.74 -1.045160773e+00 -1.045160773e+00 3.76 -9.905549519e-01 -9.905549519e-01 3.78 -9.408293333e-01 -9.408293333e-01 3.80 -8.954962642e-01 -8.954962642e-01 3.82 -8.540943675e-01 -8.540943675e-01 3.84 -8.161938701e-01 -8.161938701e-01 3.86 -7.813994417e-01 -7.813994417e-01 3.88 -7.493510982e-01 -7.493510982e-01 3.90 -7.197236782e-01 -7.197236782e-01 3.92 -6.922253222e-01 -6.922253222e-01 3.94 -6.665953487e-01 -6.665953487e-01 3.96 -6.426017291e-01 -6.426017291e-01 3.98 -6.200384793e-01 -6.200384793e-01 4.00 -5.987230639e-01 -5.987230639e-01 4.02 -5.784939900e-01 -5.784939900e-01 4.04 -5.592086316e-01 -5.592086316e-01 4.06 -5.407412501e-01 -5.407412501e-01 4.08 -5.229814847e-01 -5.229814847e-01 4.10 -5.058336488e-01 -5.058336488e-01 4.12 -4.892154268e-01 -4.892154268e-01 4.14 -4.730572975e-01 -4.730572975e-01 4.16 -4.573023572e-01 -4.573023572e-01 4.18 -4.419062176e-01 -4.419062176e-01 4.20 -4.268369515e-01 -4.268369515e-01 4.22 -4.120749285e-01 -4.120749285e-01 4.24 -3.976123858e-01 -3.976123858e-01 4.26 -3.834525885e-01 -3.834525885e-01 4.28 -3.696084698e-01 -3.696084698e-01 4.30 -3.561007093e-01 -3.561007093e-01 4.32 -3.429552964e-01 -3.429552964e-01 4.34 -3.302007250e-01 -3.302007250e-01 4.36 -3.178650443e-01 -3.178650443e-01 4.38 -3.059730412e-01 -3.059730412e-01 4.40 -2.945438235e-01 -2.945438235e-01 4.42 -2.835890216e-01 -2.835890216e-01 4.44 -2.731117338e-01 -2.731117338e-01 4.46 -2.631062325e-01 -2.631062325e-01 4.48 -2.535583537e-01 -2.535583537e-01 4.50 -2.444464176e-01 -2.444464176e-01 4.52 -2.357424971e-01 -2.357424971e-01 4.54 -2.274138538e-01 -2.274138538e-01 4.56 -2.194243828e-01 -2.194243828e-01 4.58 -2.117359608e-01 -2.117359608e-01 4.60 -2.043096263e-01 -2.043096263e-01 4.62 -1.971064627e-01 -1.971064627e-01 4.64 -1.900884828e-01 -1.900884828e-01 4.66 -1.832196433e-01 -1.832196433e-01 4.68 -1.764659474e-01 -1.764659474e-01 4.70 -1.697959382e-01 -1.697959382e-01 4.72 -1.631811610e-01 -1.631811610e-01 4.74 -1.565966124e-01 -1.565966124e-01 4.76 -1.500212001e-01 -1.500212001e-01 4.78 -1.434382229e-01 -1.434382229e-01 4.80 -1.368358594e-01 -1.368358594e-01 4.82 -1.302076747e-01 -1.302076747e-01 4.84 -1.235530155e-01 -1.235530155e-01 4.86 -1.168773606e-01 -1.168773606e-01 4.88 -1.101924705e-01 -1.101924705e-01 4.90 -1.035163089e-01 -1.035163089e-01 4.92 -9.687267614e-02 -9.687267614e-02 4.94 -9.029051667e-02 -9.029051667e-02 4.96 -8.380289584e-02 -8.380289584e-02 4.98 -7.744567745e-02 -7.744567745e-02 5.00 -7.125597228e-02 -7.125597228e-02 5.02 -6.527046263e-02 -6.527046263e-02 5.04 -5.952373035e-02 -5.952373035e-02 5.06 -5.404672159e-02 -5.404672159e-02 5.08 -4.886546726e-02 -4.886546726e-02 5.10 -4.400015482e-02 -4.400015482e-02 5.12 -3.946460232e-02 -3.946460232e-02 5.14 -3.526612374e-02 -3.526612374e-02 5.16 -3.140577350e-02 -3.140577350e-02 5.18 -2.787888266e-02 -2.787888266e-02 5.20 -2.467583154e-02 -2.467583154e-02 5.22 -2.178295668e-02 -2.178295668e-02 5.24 -1.918349413e-02 -1.918349413e-02 5.26 -1.685846956e-02 -1.685846956e-02 5.28 -1.478720095e-02 -1.478720095e-02 5.30 -1.294899853e-02 -1.294899853e-02 5.32 -1.132326948e-02 -1.132326948e-02 5.34 -9.889811264e-03 -9.889811264e-03 5.36 -8.629221679e-03 -8.629221679e-03 5.38 -7.523184978e-03 -7.523184978e-03 5.40 -6.554653546e-03 -6.554653546e-03 5.42 -5.707945087e-03 -5.707945087e-03 5.44 -4.968774155e-03 -4.968774155e-03 5.46 -4.324234734e-03 -4.324234734e-03 5.48 -3.762748062e-03 -3.762748062e-03 5.50 -3.273987264e-03 -3.273987264e-03 5.52 -2.848787941e-03 -2.848787941e-03 5.54 -2.479051707e-03 -2.479051707e-03 5.56 -2.157647801e-03 -2.157647801e-03 5.58 -1.878316474e-03 -1.878316474e-03 5.60 -1.635576595e-03 -1.635576595e-03 5.62 -1.424639063e-03 -1.424639063e-03 5.64 -1.241326893e-03 -1.241326893e-03 5.66 -1.082002356e-03 -1.082002356e-03 5.68 -9.435011907e-04 -9.435011907e-04 5.70 -8.230736763e-04 -8.230736763e-04 5.72 -7.183321819e-04 -7.183321819e-04 5.74 -6.272047398e-04 -6.272047398e-04 5.76 -5.478941259e-04 -5.478941259e-04 5.78 -4.788419283e-04 -4.788419283e-04 5.80 -4.186970933e-04 -4.186970933e-04 5.82 -3.662884593e-04 -3.662884593e-04 5.84 -3.206008238e-04 -3.206008238e-04 5.86 -2.807541265e-04 -2.807541265e-04 5.88 -2.459853656e-04 -2.459853656e-04 5.90 -2.156329104e-04 -2.156329104e-04 5.92 -1.891229019e-04 -1.891229019e-04 5.94 -1.659574744e-04 -1.659574744e-04 5.96 -1.457045588e-04 -1.457045588e-04 5.98 -1.279890599e-04 -1.279890599e-04 6.00 -1.124852234e-04 -1.124852234e-04