# 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 = Au2CuPd # 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 3.875858410e+06 3.875858410e+06 0.88 3.539037862e+06 3.539037862e+06 0.90 3.231849827e+06 3.231849827e+06 0.92 2.951149278e+06 2.951149278e+06 0.94 2.694170344e+06 2.694170344e+06 0.96 2.458498536e+06 2.458498536e+06 0.98 2.241976610e+06 2.241976610e+06 1.00 2.042729687e+06 2.042729687e+06 1.02 1.859101833e+06 1.859101833e+06 1.04 1.689614553e+06 1.689614553e+06 1.06 1.532965886e+06 1.532965886e+06 1.08 1.387996145e+06 1.387996145e+06 1.10 1.253640719e+06 1.253640719e+06 1.12 1.128983228e+06 1.128983228e+06 1.14 1.013188591e+06 1.013188591e+06 1.16 9.054789176e+05 9.054789176e+05 1.18 8.051772257e+05 8.051772257e+05 1.20 7.116842265e+05 7.116842265e+05 1.22 6.244446386e+05 6.244446386e+05 1.24 5.429469393e+05 5.429469393e+05 1.26 4.667519882e+05 4.667519882e+05 1.28 3.954601433e+05 3.954601433e+05 1.30 3.286996254e+05 3.286996254e+05 1.32 2.664280907e+05 2.664280907e+05 1.34 2.130123678e+05 2.130123678e+05 1.36 1.700249543e+05 1.700249543e+05 1.38 1.359030294e+05 1.359030294e+05 1.40 1.087698907e+05 1.087698907e+05 1.42 8.716088779e+04 8.716088779e+04 1.44 6.992457965e+04 6.992457965e+04 1.46 5.615732859e+04 5.615732859e+04 1.48 4.514504049e+04 4.514504049e+04 1.50 3.632384398e+04 3.632384398e+04 1.52 2.924972763e+04 2.924972763e+04 1.54 2.357098811e+04 2.357098811e+04 1.56 1.900745718e+04 1.900745718e+04 1.58 1.533604595e+04 1.533604595e+04 1.60 1.237952434e+04 1.237952434e+04 1.62 9.997084204e+03 9.997084204e+03 1.64 8.075986085e+03 8.075986085e+03 1.66 6.525718421e+03 6.525718421e+03 1.68 5.273731980e+03 5.273731980e+03 1.70 4.262152864e+03 4.262152864e+03 1.72 3.444613093e+03 3.444613093e+03 1.74 2.783733229e+03 2.783733229e+03 1.76 2.249373264e+03 2.249373264e+03 1.78 1.817228876e+03 1.817228876e+03 1.80 1.467678322e+03 1.467678322e+03 1.82 1.184900777e+03 1.184900777e+03 1.84 9.561703191e+02 9.561703191e+02 1.86 7.711925905e+02 7.711925905e+02 1.88 6.216334653e+02 6.216334653e+02 1.90 5.007269056e+02 5.007269056e+02 1.92 4.030077071e+02 4.030077071e+02 1.94 3.240605976e+02 3.240605976e+02 1.96 2.603065257e+02 2.603065257e+02 1.98 2.088471602e+02 2.088471602e+02 2.00 1.673252779e+02 1.673252779e+02 2.02 1.338287901e+02 1.338287901e+02 2.04 1.068238045e+02 1.068238045e+02 2.06 8.506769919e+01 8.506769919e+01 2.08 6.755261208e+01 6.755261208e+01 2.10 5.345911368e+01 5.345911368e+01 2.12 4.212599040e+01 4.212599040e+01 2.14 3.301871305e+01 3.301871305e+01 2.16 2.570339404e+01 2.570339404e+01 2.18 1.983066153e+01 1.983066153e+01 2.20 1.511766468e+01 1.511766468e+01 2.22 1.133648000e+01 1.133648000e+01 2.24 8.304113371e+00 8.304113371e+00 2.26 5.872553067e+00 5.872553067e+00 2.28 3.922810741e+00 3.922810741e+00 2.30 2.359263244e+00 2.359263244e+00 2.32 1.104991904e+00 1.104991904e+00 2.34 9.822870454e-02 9.822870454e-02 2.36 -7.105387792e-01 -7.105387792e-01 2.38 -1.360932124e+00 -1.360932124e+00 2.40 -1.884599406e+00 -1.884599406e+00 2.42 -2.306772139e+00 -2.306772139e+00 2.44 -2.647528587e+00 -2.647528587e+00 2.46 -2.922828070e+00 -2.922828070e+00 2.48 -3.145310273e+00 -3.145310273e+00 2.50 -3.324972142e+00 -3.324972142e+00 2.52 -3.469707596e+00 -3.469707596e+00 2.54 -3.585764815e+00 -3.585764815e+00 2.56 -3.678083560e+00 -3.678083560e+00 2.58 -3.750570142e+00 -3.750570142e+00 2.60 -3.806319124e+00 -3.806319124e+00 2.62 -3.847777181e+00 -3.847777181e+00 2.64 -3.876883984e+00 -3.876883984e+00 2.66 -3.895206778e+00 -3.895206778e+00 2.68 -3.904018462e+00 -3.904018462e+00 2.70 -3.904352844e+00 -3.904352844e+00 2.72 -3.897069847e+00 -3.897069847e+00 2.74 -3.882908226e+00 -3.882908226e+00 2.76 -3.862504732e+00 -3.862504732e+00 2.78 -3.836418246e+00 -3.836418246e+00 2.80 -3.805148085e+00 -3.805148085e+00 2.82 -3.769115268e+00 -3.769115268e+00 2.84 -3.728686685e+00 -3.728686685e+00 2.86 -3.684235431e+00 -3.684235431e+00 2.88 -3.636119887e+00 -3.636119887e+00 2.90 -3.584680267e+00 -3.584680267e+00 2.92 -3.530241257e+00 -3.530241257e+00 2.94 -3.473113769e+00 -3.473113769e+00 2.96 -3.413540344e+00 -3.413540344e+00 2.98 -3.351748712e+00 -3.351748712e+00 3.00 -3.288012151e+00 -3.288012151e+00 3.02 -3.222592495e+00 -3.222592495e+00 3.04 -3.155740200e+00 -3.155740200e+00 3.06 -3.087687497e+00 -3.087687497e+00 3.08 -3.018623485e+00 -3.018623485e+00 3.10 -2.948757024e+00 -2.948757024e+00 3.12 -2.878291274e+00 -2.878291274e+00 3.14 -2.807417941e+00 -2.807417941e+00 3.16 -2.736317338e+00 -2.736317338e+00 3.18 -2.665158501e+00 -2.665158501e+00 3.20 -2.594099334e+00 -2.594099334e+00 3.22 -2.523286809e+00 -2.523286809e+00 3.24 -2.452857194e+00 -2.452857194e+00 3.26 -2.382936325e+00 -2.382936325e+00 3.28 -2.313639910e+00 -2.313639910e+00 3.30 -2.245054746e+00 -2.245054746e+00 3.32 -2.177248372e+00 -2.177248372e+00 3.34 -2.110308804e+00 -2.110308804e+00 3.36 -2.044315784e+00 -2.044315784e+00 3.38 -1.979340842e+00 -1.979340842e+00 3.40 -1.915447689e+00 -1.915447689e+00 3.42 -1.852692618e+00 -1.852692618e+00 3.44 -1.791124909e+00 -1.791124909e+00 3.46 -1.730771279e+00 -1.730771279e+00 3.48 -1.671606863e+00 -1.671606863e+00 3.50 -1.613657028e+00 -1.613657028e+00 3.52 -1.556948071e+00 -1.556948071e+00 3.54 -1.501501404e+00 -1.501501404e+00 3.56 -1.447333891e+00 -1.447333891e+00 3.58 -1.394458170e+00 -1.394458170e+00 3.60 -1.342882965e+00 -1.342882965e+00 3.62 -1.292613380e+00 -1.292613380e+00 3.64 -1.243651190e+00 -1.243651190e+00 3.66 -1.195995110e+00 -1.195995110e+00 3.68 -1.149641057e+00 -1.149641057e+00 3.70 -1.104582395e+00 -1.104582395e+00 3.72 -1.060810169e+00 -1.060810169e+00 3.74 -1.018313327e+00 -1.018313327e+00 3.76 -9.770789238e-01 -9.770789238e-01 3.78 -9.370923218e-01 -9.370923218e-01 3.80 -8.983373714e-01 -8.983373714e-01 3.82 -8.607965835e-01 -8.607965835e-01 3.84 -8.244512906e-01 -8.244512906e-01 3.86 -7.892817963e-01 -7.892817963e-01 3.88 -7.552675145e-01 -7.552675145e-01 3.90 -7.223870993e-01 -7.223870993e-01 3.92 -6.906185644e-01 -6.906185644e-01 3.94 -6.599393945e-01 -6.599393945e-01 3.96 -6.303266472e-01 -6.303266472e-01 3.98 -6.017570473e-01 -6.017570473e-01 4.00 -5.742070734e-01 -5.742070734e-01 4.02 -5.476530372e-01 -5.476530372e-01 4.04 -5.220711554e-01 -5.220711554e-01 4.06 -4.974376162e-01 -4.974376162e-01 4.08 -4.737286389e-01 -4.737286389e-01 4.10 -4.509205285e-01 -4.509205285e-01 4.12 -4.289897244e-01 -4.289897244e-01 4.14 -4.079128445e-01 -4.079128445e-01 4.16 -3.876667249e-01 -3.876667249e-01 4.18 -3.682284549e-01 -3.682284549e-01 4.20 -3.495754083e-01 -3.495754083e-01 4.22 -3.316852709e-01 -3.316852709e-01 4.24 -3.145360647e-01 -3.145360647e-01 4.26 -2.981061688e-01 -2.981061688e-01 4.28 -2.823743377e-01 -2.823743377e-01 4.30 -2.673197161e-01 -2.673197161e-01 4.32 -2.529203531e-01 -2.529203531e-01 4.34 -2.391395286e-01 -2.391395286e-01 4.36 -2.259536147e-01 -2.259536147e-01 4.38 -2.133442010e-01 -2.133442010e-01 4.40 -2.012932912e-01 -2.012932912e-01 4.42 -1.897833065e-01 -1.897833065e-01 4.44 -1.787970875e-01 -1.787970875e-01 4.46 -1.683178950e-01 -1.683178950e-01 4.48 -1.583294097e-01 -1.583294097e-01 4.50 -1.488157309e-01 -1.488157309e-01 4.52 -1.397613739e-01 -1.397613739e-01 4.54 -1.311512671e-01 -1.311512671e-01 4.56 -1.229707482e-01 -1.229707482e-01 4.58 -1.152055594e-01 -1.152055594e-01 4.60 -1.078418428e-01 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-3.070734625e-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