# 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 = Au2NiPd # 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 8.255128780e+02 8.255128780e+02 1.00 7.529692179e+02 7.529692179e+02 1.02 6.874112777e+02 6.874112777e+02 1.04 6.281180146e+02 6.281180146e+02 1.06 5.744443286e+02 5.744443286e+02 1.08 5.258165359e+02 5.258165359e+02 1.10 4.817255028e+02 4.817255028e+02 1.12 4.417095650e+02 4.417095650e+02 1.14 4.053600937e+02 4.053600937e+02 1.16 3.723153448e+02 3.723153448e+02 1.18 3.422479384e+02 3.422479384e+02 1.20 3.148632083e+02 3.148632083e+02 1.22 2.898976876e+02 2.898976876e+02 1.24 2.671152063e+02 2.671152063e+02 1.26 2.463034536e+02 2.463034536e+02 1.28 2.272723485e+02 2.272723485e+02 1.30 2.098519982e+02 2.098519982e+02 1.32 1.938887626e+02 1.938887626e+02 1.34 1.792443419e+02 1.792443419e+02 1.36 1.657955706e+02 1.657955706e+02 1.38 1.534317832e+02 1.534317832e+02 1.40 1.420524652e+02 1.420524652e+02 1.42 1.315690608e+02 1.315690608e+02 1.44 1.219000933e+02 1.219000933e+02 1.46 1.129725077e+02 1.129725077e+02 1.48 1.047200646e+02 1.047200646e+02 1.50 9.708417121e+01 9.708417121e+01 1.52 9.001207368e+01 9.001207368e+01 1.54 8.345517999e+01 8.345517999e+01 1.56 7.737030028e+01 7.737030028e+01 1.58 7.171874990e+01 7.171874990e+01 1.60 6.646489951e+01 6.646489951e+01 1.62 6.157709435e+01 6.157709435e+01 1.64 5.702498788e+01 5.702498788e+01 1.66 5.278282055e+01 5.278282055e+01 1.68 4.882685958e+01 4.882685958e+01 1.70 4.513514461e+01 4.513514461e+01 1.72 4.168708288e+01 4.168708288e+01 1.74 3.846565297e+01 3.846565297e+01 1.76 3.545431526e+01 3.545431526e+01 1.78 3.263804343e+01 3.263804343e+01 1.80 3.000288557e+01 3.000288557e+01 1.82 2.753610240e+01 2.753610240e+01 1.84 2.522933642e+01 2.522933642e+01 1.86 2.307036829e+01 2.307036829e+01 1.88 2.102248338e+01 2.102248338e+01 1.90 1.911457352e+01 1.911457352e+01 1.92 1.731969214e+01 1.731969214e+01 1.94 1.563297613e+01 1.563297613e+01 1.96 1.404969063e+01 1.404969063e+01 1.98 1.256528356e+01 1.256528356e+01 2.00 1.117528787e+01 1.117528787e+01 2.02 9.875365947e+00 9.875365947e+00 2.04 8.661281012e+00 8.661281012e+00 2.06 7.528714697e+00 7.528714697e+00 2.08 6.473563766e+00 6.473563766e+00 2.10 5.492114168e+00 5.492114168e+00 2.12 4.580881815e+00 4.580881815e+00 2.14 3.736605991e+00 3.736605991e+00 2.16 2.955007559e+00 2.955007559e+00 2.18 2.232675759e+00 2.232675759e+00 2.20 1.566390714e+00 1.566390714e+00 2.22 9.528273787e-01 9.528273787e-01 2.24 3.891289216e-01 3.891289216e-01 2.26 -1.275197518e-01 -1.275197518e-01 2.28 -5.998913677e-01 -5.998913677e-01 2.30 -1.030658492e+00 -1.030658492e+00 2.32 -1.422399321e+00 -1.422399321e+00 2.34 -1.777485535e+00 -1.777485535e+00 2.36 -2.098235928e+00 -2.098235928e+00 2.38 -2.386433515e+00 -2.386433515e+00 2.40 -2.644286122e+00 -2.644286122e+00 2.42 -2.874215651e+00 -2.874215651e+00 2.44 -3.078065075e+00 -3.078065075e+00 2.46 -3.257633531e+00 -3.257633531e+00 2.48 -3.414637403e+00 -3.414637403e+00 2.50 -3.550702847e+00 -3.550702847e+00 2.52 -3.667629410e+00 -3.667629410e+00 2.54 -3.766769944e+00 -3.766769944e+00 2.56 -3.849361050e+00 -3.849361050e+00 2.58 -3.916687095e+00 -3.916687095e+00 2.60 -3.969957268e+00 -3.969957268e+00 2.62 -4.010309066e+00 -4.010309066e+00 2.64 -4.038679292e+00 -4.038679292e+00 2.66 -4.056062016e+00 -4.056062016e+00 2.68 -4.063415641e+00 -4.063415641e+00 2.70 -4.061740132e+00 -4.061740132e+00 2.72 -4.051852805e+00 -4.051852805e+00 2.74 -4.034518227e+00 -4.034518227e+00 2.76 -4.010444827e+00 -4.010444827e+00 2.78 -3.980686601e+00 -3.980686601e+00 2.80 -3.945449080e+00 -3.945449080e+00 2.82 -3.905192612e+00 -3.905192612e+00 2.84 -3.860586395e+00 -3.860586395e+00 2.86 -3.812116944e+00 -3.812116944e+00 2.88 -3.760233939e+00 -3.760233939e+00 2.90 -3.705389175e+00 -3.705389175e+00 2.92 -3.648323109e+00 -3.648323109e+00 2.94 -3.588972365e+00 -3.588972365e+00 2.96 -3.527944016e+00 -3.527944016e+00 2.98 -3.465237263e+00 -3.465237263e+00 3.00 -3.401139732e+00 -3.401139732e+00 3.02 -3.335748116e+00 -3.335748116e+00 3.04 -3.268884095e+00 -3.268884095e+00 3.06 -3.200780895e+00 -3.200780895e+00 3.08 -3.132191326e+00 -3.132191326e+00 3.10 -3.063366381e+00 -3.063366381e+00 3.12 -2.994458615e+00 -2.994458615e+00 3.14 -2.925614144e+00 -2.925614144e+00 3.16 -2.856964462e+00 -2.856964462e+00 3.18 -2.788628400e+00 -2.788628400e+00 3.20 -2.720713090e+00 -2.720713090e+00 3.22 -2.653314833e+00 -2.653314833e+00 3.24 -2.586514299e+00 -2.586514299e+00 3.26 -2.520682067e+00 -2.520682067e+00 3.28 -2.455680129e+00 -2.455680129e+00 3.30 -2.391467688e+00 -2.391467688e+00 3.32 -2.328099153e+00 -2.328099153e+00 3.34 -2.265622585e+00 -2.265622585e+00 3.36 -2.204079738e+00 -2.204079738e+00 3.38 -2.143507306e+00 -2.143507306e+00 3.40 -2.083960951e+00 -2.083960951e+00 3.42 -2.025788110e+00 -2.025788110e+00 3.44 -1.968645059e+00 -1.968645059e+00 3.46 -1.912547704e+00 -1.912547704e+00 3.48 -1.857532162e+00 -1.857532162e+00 3.50 -1.803607326e+00 -1.803607326e+00 3.52 -1.750674058e+00 -1.750674058e+00 3.54 -1.698710299e+00 -1.698710299e+00 3.56 -1.647809364e+00 -1.647809364e+00 3.58 -1.598024973e+00 -1.598024973e+00 3.60 -1.549352657e+00 -1.549352657e+00 3.62 -1.501790803e+00 -1.501790803e+00 3.64 -1.455315046e+00 -1.455315046e+00 3.66 -1.409879526e+00 -1.409879526e+00 3.68 -1.365417226e+00 -1.365417226e+00 3.70 -1.321881669e+00 -1.321881669e+00 3.72 -1.279293148e+00 -1.279293148e+00 3.74 -1.237706167e+00 -1.237706167e+00 3.76 -1.197160993e+00 -1.197160993e+00 3.78 -1.157648684e+00 -1.157648684e+00 3.80 -1.119145154e+00 -1.119145154e+00 3.82 -1.081638839e+00 -1.081638839e+00 3.84 -1.045122448e+00 -1.045122448e+00 3.86 -1.009592587e+00 -1.009592587e+00 3.88 -9.749664418e-01 -9.749664418e-01 3.90 -9.411511448e-01 -9.411511448e-01 3.92 -9.082111721e-01 -9.082111721e-01 3.94 -8.762071893e-01 -8.762071893e-01 3.96 -8.451826931e-01 -8.451826931e-01 3.98 -8.151456026e-01 -8.151456026e-01 4.00 -7.860952924e-01 -7.860952924e-01 4.02 -7.580157377e-01 -7.580157377e-01 4.04 -7.310264561e-01 -7.310264561e-01 4.06 -7.049710134e-01 -7.049710134e-01 4.08 -6.797051280e-01 -6.797051280e-01 4.10 -6.551220033e-01 -6.551220033e-01 4.12 -6.311591431e-01 -6.311591431e-01 4.14 -6.077668454e-01 -6.077668454e-01 4.16 -5.849865573e-01 -5.849865573e-01 4.18 -5.629610340e-01 -5.629610340e-01 4.20 -5.412366855e-01 -5.412366855e-01 4.22 -5.197306805e-01 -5.197306805e-01 4.24 -4.983876907e-01 -4.983876907e-01 4.26 -4.771493541e-01 -4.771493541e-01 4.28 -4.559839601e-01 -4.559839601e-01 4.30 -4.349789156e-01 -4.349789156e-01 4.32 -4.142135857e-01 -4.142135857e-01 4.34 -3.937556792e-01 -3.937556792e-01 4.36 -3.736607296e-01 -3.736607296e-01 4.38 -3.539610284e-01 -3.539610284e-01 4.40 -3.346691204e-01 -3.346691204e-01 4.42 -3.158613046e-01 -3.158613046e-01 4.44 -2.976135491e-01 -2.976135491e-01 4.46 -2.799809990e-01 -2.799809990e-01 4.48 -2.630016745e-01 -2.630016745e-01 4.50 -2.466995877e-01 -2.466995877e-01 4.52 -2.310873663e-01 -2.310873663e-01 4.54 -2.161684602e-01 -2.161684602e-01 4.56 -2.019388769e-01 -2.019388769e-01 4.58 -1.883792461e-01 -1.883792461e-01 4.60 -1.757530587e-01 -1.757530587e-01 4.62 -1.640187947e-01 -1.640187947e-01 4.64 -1.528761580e-01 -1.528761580e-01 4.66 -1.423127080e-01 -1.423127080e-01 4.68 -1.323055955e-01 -1.323055955e-01 4.70 -1.228314849e-01 -1.228314849e-01 4.72 -1.138669060e-01 -1.138669060e-01 4.74 -1.053885052e-01 -1.053885052e-01 4.76 -9.737324414e-02 -9.737324414e-02 4.78 -8.980211873e-02 -8.980211873e-02 4.80 -8.264666405e-02 -8.264666405e-02 4.82 -7.703476351e-02 -7.703476351e-02 4.84 -7.185350568e-02 -7.185350568e-02 4.86 -6.695243991e-02 -6.695243991e-02 4.88 -6.231750023e-02 -6.231750023e-02 4.90 -5.793510087e-02 -5.793510087e-02 4.92 -5.379221413e-02 -5.379221413e-02 4.94 -4.987637160e-02 -4.987637160e-02 4.96 -4.617565969e-02 -4.617565969e-02 4.98 -4.267871120e-02 -4.267871120e-02 5.00 -3.937469371e-02 -3.937469371e-02 5.02 -3.625329596e-02 -3.625329596e-02 5.04 -3.330471215e-02 -3.330471215e-02 5.06 -3.051962442e-02 -3.051962442e-02 5.08 -2.788918497e-02 -2.788918497e-02 5.10 -2.540499760e-02 -2.540499760e-02 5.12 -2.305909924e-02 -2.305909924e-02 5.14 -2.084394101e-02 -2.084394101e-02 5.16 -1.875236956e-02 -1.875236956e-02 5.18 -1.677760880e-02 -1.677760880e-02 5.20 -1.491324204e-02 -1.491324204e-02 5.22 -1.315319475e-02 -1.315319475e-02 5.24 -1.149171747e-02 -1.149171747e-02 5.26 -9.923354103e-03 -9.923354103e-03 5.28 -8.443963497e-03 -8.443963497e-03 5.30 -7.070509207e-03 -7.070509207e-03 5.32 -6.262940092e-03 -6.262940092e-03 5.34 -5.519603083e-03 -5.519603083e-03 5.36 -4.824696322e-03 -4.824696322e-03 5.38 -4.171698386e-03 -4.171698386e-03 5.40 -3.558146043e-03 -3.558146043e-03 5.42 -2.981717125e-03 -2.981717125e-03 5.44 -2.440222661e-03 -2.440222661e-03 5.46 -1.931599462e-03 -1.931599462e-03 5.48 -1.453903113e-03 -1.453903113e-03 5.50 -1.005301348e-03 -1.005301348e-03 5.52 -5.840676908e-04 -5.840676908e-04 5.54 -1.860371619e-04 -1.860371619e-04 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