# 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 = AuPt2Ta # 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 4.609330725e+02 4.609330725e+02 1.30 4.308020814e+02 4.308020814e+02 1.32 4.027031185e+02 4.027031185e+02 1.34 3.764869981e+02 3.764869981e+02 1.36 3.520050739e+02 3.520050739e+02 1.38 3.291134528e+02 3.291134528e+02 1.40 3.076804743e+02 3.076804743e+02 1.42 2.875927535e+02 2.875927535e+02 1.44 2.687547165e+02 2.687547165e+02 1.46 2.510838268e+02 2.510838268e+02 1.48 2.345072287e+02 2.345072287e+02 1.50 2.189602957e+02 2.189602957e+02 1.52 2.043840031e+02 2.043840031e+02 1.54 1.907207765e+02 1.907207765e+02 1.56 1.779113499e+02 1.779113499e+02 1.58 1.658943702e+02 1.658943702e+02 1.60 1.546083125e+02 1.546083125e+02 1.62 1.439942029e+02 1.439942029e+02 1.64 1.339978404e+02 1.339978404e+02 1.66 1.245710120e+02 1.245710120e+02 1.68 1.156719083e+02 1.156719083e+02 1.70 1.072649900e+02 1.072649900e+02 1.72 9.932009980e+01 9.932009980e+01 1.74 9.181051521e+01 9.181051521e+01 1.76 8.471039641e+01 8.471039641e+01 1.78 7.799292108e+01 7.799292108e+01 1.80 7.163016000e+01 7.163016000e+01 1.82 6.559486758e+01 6.559486758e+01 1.84 5.986545889e+01 5.986545889e+01 1.86 5.442462045e+01 5.442462045e+01 1.88 4.926504784e+01 4.926504784e+01 1.90 4.443588723e+01 4.443588723e+01 1.92 3.998492522e+01 3.998492522e+01 1.94 3.589051813e+01 3.589051813e+01 1.96 3.213125508e+01 3.213125508e+01 1.98 2.868578111e+01 2.868578111e+01 2.00 2.553289917e+01 2.553289917e+01 2.02 2.265164556e+01 2.265164556e+01 2.04 2.002132278e+01 2.002132278e+01 2.06 1.762161508e+01 1.762161508e+01 2.08 1.543284169e+01 1.543284169e+01 2.10 1.343627873e+01 1.343627873e+01 2.12 1.161443750e+01 1.161443750e+01 2.14 9.951234219e+00 9.951234219e+00 2.16 8.432055175e+00 8.432055175e+00 2.18 7.043752775e+00 7.043752775e+00 2.20 5.774597661e+00 5.774597661e+00 2.22 4.614193996e+00 4.614193996e+00 2.24 3.553360200e+00 3.553360200e+00 2.26 2.583983899e+00 2.583983899e+00 2.28 1.698865972e+00 1.698865972e+00 2.30 8.915692175e-01 8.915692175e-01 2.32 1.562839287e-01 1.562839287e-01 2.34 -5.122825179e-01 -5.122825179e-01 2.36 -1.118990468e+00 -1.118990468e+00 2.38 -1.668330952e+00 -1.668330952e+00 2.40 -2.164474029e+00 -2.164474029e+00 2.42 -2.611309819e+00 -2.611309819e+00 2.44 -3.012486267e+00 -3.012486267e+00 2.46 -3.371443709e+00 -3.371443709e+00 2.48 -3.691444500e+00 -3.691444500e+00 2.50 -3.975596364e+00 -3.975596364e+00 2.52 -4.226856821e+00 -4.226856821e+00 2.54 -4.447953770e+00 -4.447953770e+00 2.56 -4.641667734e+00 -4.641667734e+00 2.58 -4.810641330e+00 -4.810641330e+00 2.60 -4.957286643e+00 -4.957286643e+00 2.62 -5.083761093e+00 -5.083761093e+00 2.64 -5.191958047e+00 -5.191958047e+00 2.66 -5.283515621e+00 -5.283515621e+00 2.68 -5.360565918e+00 -5.360565918e+00 2.70 -5.425932104e+00 -5.425932104e+00 2.72 -5.479996244e+00 -5.479996244e+00 2.74 -5.523023998e+00 -5.523023998e+00 2.76 -5.555299803e+00 -5.555299803e+00 2.78 -5.577123459e+00 -5.577123459e+00 2.80 -5.588808370e+00 -5.588808370e+00 2.82 -5.590682002e+00 -5.590682002e+00 2.84 -5.583089548e+00 -5.583089548e+00 2.86 -5.566401505e+00 -5.566401505e+00 2.88 -5.541025126e+00 -5.541025126e+00 2.90 -5.507418433e+00 -5.507418433e+00 2.92 -5.466103841e+00 -5.466103841e+00 2.94 -5.417676980e+00 -5.417676980e+00 2.96 -5.362838732e+00 -5.362838732e+00 2.98 -5.302346781e+00 -5.302346781e+00 3.00 -5.236899384e+00 -5.236899384e+00 3.02 -5.167194688e+00 -5.167194688e+00 3.04 -5.093891879e+00 -5.093891879e+00 3.06 -5.017576139e+00 -5.017576139e+00 3.08 -4.938736101e+00 -4.938736101e+00 3.10 -4.857756208e+00 -4.857756208e+00 3.12 -4.774922310e+00 -4.774922310e+00 3.14 -4.690432777e+00 -4.690432777e+00 3.16 -4.604416558e+00 -4.604416558e+00 3.18 -4.516960296e+00 -4.516960296e+00 3.20 -4.428128363e+00 -4.428128363e+00 3.22 -4.337979549e+00 -4.337979549e+00 3.24 -4.246580447e+00 -4.246580447e+00 3.26 -4.154015304e+00 -4.154015304e+00 3.28 -4.060392214e+00 -4.060392214e+00 3.30 -3.965845623e+00 -3.965845623e+00 3.32 -3.870535204e+00 -3.870535204e+00 3.34 -3.774641421e+00 -3.774641421e+00 3.36 -3.678358407e+00 -3.678358407e+00 3.38 -3.581885075e+00 -3.581885075e+00 3.40 -3.485415604e+00 -3.485415604e+00 3.42 -3.389130459e+00 -3.389130459e+00 3.44 -3.293188919e+00 -3.293188919e+00 3.46 -3.197723807e+00 -3.197723807e+00 3.48 -3.102838705e+00 -3.102838705e+00 3.50 -3.008607620e+00 -3.008607620e+00 3.52 -2.915076779e+00 -2.915076779e+00 3.54 -2.822278205e+00 -2.822278205e+00 3.56 -2.730336724e+00 -2.730336724e+00 3.58 -2.639422172e+00 -2.639422172e+00 3.60 -2.549679922e+00 -2.549679922e+00 3.62 -2.461237995e+00 -2.461237995e+00 3.64 -2.374214433e+00 -2.374214433e+00 3.66 -2.288723438e+00 -2.288723438e+00 3.68 -2.204880051e+00 -2.204880051e+00 3.70 -2.122803164e+00 -2.122803164e+00 3.72 -2.042616704e+00 -2.042616704e+00 3.74 -1.964448912e+00 -1.964448912e+00 3.76 -1.888429774e+00 -1.888429774e+00 3.78 -1.814686809e+00 -1.814686809e+00 3.80 -1.743339631e+00 -1.743339631e+00 3.82 -1.674493847e+00 -1.674493847e+00 3.84 -1.608235000e+00 -1.608235000e+00 3.86 -1.544623244e+00 -1.544623244e+00 3.88 -1.483689425e+00 -1.483689425e+00 3.90 -1.425433005e+00 -1.425433005e+00 3.92 -1.369822053e+00 -1.369822053e+00 3.94 -1.316795288e+00 -1.316795288e+00 3.96 -1.266265844e+00 -1.266265844e+00 3.98 -1.218126372e+00 -1.218126372e+00 4.00 -1.172254911e+00 -1.172254911e+00 4.02 -1.128520986e+00 -1.128520986e+00 4.04 -1.086791479e+00 -1.086791479e+00 4.06 -1.046935827e+00 -1.046935827e+00 4.08 -1.008830299e+00 -1.008830299e+00 4.10 -9.723611121e-01 -9.723611121e-01 4.12 -9.374263581e-01 -9.374263581e-01 4.14 -9.039366247e-01 -9.039366247e-01 4.16 -8.718145538e-01 -8.718145538e-01 4.18 -8.409934112e-01 -8.409934112e-01 4.20 -8.114149814e-01 -8.114149814e-01 4.22 -7.830270960e-01 -7.830270960e-01 4.24 -7.557811207e-01 -7.557811207e-01 4.26 -7.296296826e-01 -7.296296826e-01 4.28 -7.045248359e-01 -7.045248359e-01 4.30 -6.804167556e-01 -6.804167556e-01 4.32 -6.572529513e-01 -6.572529513e-01 4.34 -6.349779203e-01 -6.349779203e-01 4.36 -6.135331290e-01 -6.135331290e-01 4.38 -5.928572165e-01 -5.928572165e-01 4.40 -5.728863378e-01 -5.728863378e-01 4.42 -5.535546002e-01 -5.535546002e-01 4.44 -5.347945691e-01 -5.347945691e-01 4.46 -5.165378362e-01 -5.165378362e-01 4.48 -4.987156523e-01 -4.987156523e-01 4.50 -4.812596258e-01 -4.812596258e-01 4.52 -4.641024939e-01 -4.641024939e-01 4.54 -4.471789744e-01 -4.471789744e-01 4.56 -4.304267135e-01 -4.304267135e-01 4.58 -4.137873478e-01 -4.137873478e-01 4.60 -3.972076977e-01 -3.972076977e-01 4.62 -3.806411041e-01 -3.806411041e-01 4.64 -3.640489060e-01 -3.640489060e-01 4.66 -3.474020280e-01 -3.474020280e-01 4.68 -3.306826203e-01 -3.306826203e-01 4.70 -3.138856496e-01 -3.138856496e-01 4.72 -2.970203035e-01 -2.970203035e-01 4.74 -2.801110364e-01 -2.801110364e-01 4.76 -2.631980661e-01 -2.631980661e-01 4.78 -2.463371350e-01 -2.463371350e-01 4.80 -2.295983833e-01 -2.295983833e-01 4.82 -2.130642620e-01 -2.130642620e-01 4.84 -1.968264818e-01 -1.968264818e-01 4.86 -1.809821630e-01 -1.809821630e-01 4.88 -1.656294161e-01 -1.656294161e-01 4.90 -1.508627064e-01 -1.508627064e-01 4.92 -1.367683958e-01 -1.367683958e-01 4.94 -1.234208444e-01 -1.234208444e-01 4.96 -1.108793891e-01 -1.108793891e-01 4.98 -9.918641753e-02 -9.918641753e-02 5.00 -8.836660654e-02 -8.836660654e-02 5.02 -7.842725345e-02 -7.842725345e-02 5.04 -6.935955791e-02 -6.935955791e-02 5.06 -6.114061319e-02 -6.114061319e-02 5.08 -5.373584514e-02 -5.373584514e-02 5.10 -4.710215710e-02 -4.710215710e-02 5.12 -4.119006623e-02 -4.119006623e-02 5.14 -3.594491211e-02 -3.594491211e-02 5.16 -3.131037401e-02 -3.131037401e-02 5.18 -2.723023419e-02 -2.723023419e-02 5.20 -2.364974044e-02 -2.364974044e-02 5.22 -2.051660882e-02 -2.051660882e-02 5.24 -1.778172484e-02 -1.778172484e-02 5.26 -1.539946442e-02 -1.539946442e-02 5.28 -1.332777067e-02 -1.332777067e-02 5.30 -1.152916270e-02 -1.152916270e-02 5.32 -9.969854348e-03 -9.969854348e-03 5.34 -8.619565779e-03 -8.619565779e-03 5.36 -7.451357642e-03 -7.451357642e-03 5.38 -6.441406986e-03 -6.441406986e-03 5.40 -5.568752129e-03 -5.568752129e-03 5.42 -4.815025768e-03 -4.815025768e-03 5.44 -4.164189650e-03 -4.164189650e-03 5.46 -3.602279622e-03 -3.602279622e-03 5.48 -3.117166502e-03 -3.117166502e-03 5.50 -2.698335783e-03 -2.698335783e-03 5.52 -2.336687476e-03 -2.336687476e-03 5.54 -2.024356206e-03 -2.024356206e-03 5.56 -1.754550917e-03 -1.754550917e-03 5.58 -1.521413028e-03 -1.521413028e-03 5.60 -1.319891642e-03 -1.319891642e-03 5.62 -1.145634269e-03 -1.145634269e-03 5.64 -9.948914941e-04 -9.948914941e-04 5.66 -8.644340850e-04 -8.644340850e-04 5.68 -7.514810980e-04 -7.514810980e-04 5.70 -6.536376566e-04 -6.536376566e-04 5.72 -5.688411998e-04 -5.688411998e-04 5.74 -4.953151098e-04 -4.953151098e-04 5.76 -4.315287548e-04 -4.315287548e-04 5.78 -3.761630888e-04 -3.761630888e-04 5.80 -3.280810582e-04 -3.280810582e-04 5.82 -2.863021559e-04 -2.863021559e-04 5.84 -2.499805509e-04 -2.499805509e-04 5.86 -2.183862948e-04 -2.183862948e-04 5.88 -1.908891751e-04 -1.908891751e-04 5.90 -1.669448437e-04 -1.669448437e-04 5.92 -1.460828984e-04 -1.460828984e-04 5.94 -1.278966419e-04 -1.278966419e-04 5.96 -1.120342807e-04 -1.120342807e-04 5.98 -9.819135990e-05 -9.819135990e-05 6.00 -8.610425760e-05 -8.610425760e-05