# 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 = Ag2CuPd # 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 4.056105908e+06 4.056105908e+06 0.88 3.690853380e+06 3.690853380e+06 0.90 3.357616463e+06 3.357616463e+06 0.92 3.053002281e+06 3.053002281e+06 0.94 2.774013785e+06 2.774013785e+06 0.96 2.518054214e+06 2.518054214e+06 0.98 2.282780791e+06 2.282780791e+06 1.00 2.066167481e+06 2.066167481e+06 1.02 1.866426421e+06 1.866426421e+06 1.04 1.681968964e+06 1.681968964e+06 1.06 1.511397960e+06 1.511397960e+06 1.08 1.353464893e+06 1.353464893e+06 1.10 1.207012785e+06 1.207012785e+06 1.12 1.071054928e+06 1.071054928e+06 1.14 9.446920145e+05 9.446920145e+05 1.16 8.270778074e+05 8.270778074e+05 1.18 7.174821387e+05 7.174821387e+05 1.20 6.152619497e+05 6.152619497e+05 1.22 5.198114118e+05 5.198114118e+05 1.24 4.307324556e+05 4.307324556e+05 1.26 3.481090361e+05 3.481090361e+05 1.28 2.772492226e+05 2.772492226e+05 1.30 2.212264876e+05 2.212264876e+05 1.32 1.768379496e+05 1.768379496e+05 1.34 1.415819380e+05 1.415819380e+05 1.36 1.135291468e+05 1.135291468e+05 1.38 9.116611953e+04 9.116611953e+04 1.40 7.330691056e+04 7.330691056e+04 1.42 5.902248376e+04 5.902248376e+04 1.44 4.757876537e+04 4.757876537e+04 1.46 3.839795387e+04 3.839795387e+04 1.48 3.102120867e+04 3.102120867e+04 1.50 2.508472769e+04 2.508472769e+04 1.52 2.030168696e+04 2.030168696e+04 1.54 1.644405109e+04 1.644405109e+04 1.56 1.332935694e+04 1.332935694e+04 1.58 1.081141529e+04 1.081141529e+04 1.60 8.773656603e+03 8.773656603e+03 1.62 7.123334081e+03 7.123334081e+03 1.64 5.785858099e+03 5.785858099e+03 1.66 4.700935261e+03 4.700935261e+03 1.68 3.820134400e+03 3.820134400e+03 1.70 3.104636636e+03 3.104636636e+03 1.72 2.523259641e+03 2.523259641e+03 1.74 2.050732417e+03 2.050732417e+03 1.76 1.666548431e+03 1.666548431e+03 1.78 1.354129054e+03 1.354129054e+03 1.80 1.100011610e+03 1.100011610e+03 1.82 8.932608233e+02 8.932608233e+02 1.84 7.250613267e+02 7.250613267e+02 1.86 5.882448809e+02 5.882448809e+02 1.88 4.769767003e+02 4.769767003e+02 1.90 3.864991352e+02 3.864991352e+02 1.92 3.129411101e+02 3.129411101e+02 1.94 2.531580351e+02 2.531580351e+02 1.96 2.045873658e+02 2.045873658e+02 1.98 1.651418570e+02 1.651418570e+02 2.00 1.331120059e+02 1.331120059e+02 2.02 1.071006542e+02 1.071006542e+02 2.04 8.598704965e+01 8.598704965e+01 2.06 6.886045613e+01 6.886045613e+01 2.08 5.497742237e+01 5.497742237e+01 2.10 4.373035483e+01 4.373035483e+01 2.12 3.462487946e+01 3.462487946e+01 2.14 2.725808107e+01 2.725808107e+01 2.16 2.130022585e+01 2.130022585e+01 2.18 1.648507102e+01 1.648507102e+01 2.20 1.259542031e+01 1.259542031e+01 2.22 9.454243094e+00 9.454243094e+00 2.24 6.919445776e+00 6.919445776e+00 2.26 4.875375431e+00 4.875375431e+00 2.28 3.228080510e+00 3.228080510e+00 2.30 1.901356493e+00 1.901356493e+00 2.32 8.333829551e-01 8.333829551e-01 2.34 -2.591199019e-02 -2.591199019e-02 2.36 -7.170228247e-01 -7.170228247e-01 2.38 -1.272653639e+00 -1.272653639e+00 2.40 -1.719169028e+00 -1.719169028e+00 2.42 -2.077786691e+00 -2.077786691e+00 2.44 -2.365552811e+00 -2.365552811e+00 2.46 -2.596144039e+00 -2.596144039e+00 2.48 -2.780499130e+00 -2.780499130e+00 2.50 -2.927347894e+00 -2.927347894e+00 2.52 -3.043647377e+00 -3.043647377e+00 2.54 -3.134960872e+00 -3.134960872e+00 2.56 -3.205726968e+00 -3.205726968e+00 2.58 -3.259484038e+00 -3.259484038e+00 2.60 -3.299054150e+00 -3.299054150e+00 2.62 -3.326658633e+00 -3.326658633e+00 2.64 -3.344057982e+00 -3.344057982e+00 2.66 -3.352696583e+00 -3.352696583e+00 2.68 -3.353744861e+00 -3.353744861e+00 2.70 -3.348145220e+00 -3.348145220e+00 2.72 -3.336672079e+00 -3.336672079e+00 2.74 -3.319981483e+00 -3.319981483e+00 2.76 -3.298627240e+00 -3.298627240e+00 2.78 -3.273083842e+00 -3.273083842e+00 2.80 -3.243764274e+00 -3.243764274e+00 2.82 -3.210992763e+00 -3.210992763e+00 2.84 -3.175042888e+00 -3.175042888e+00 2.86 -3.136193493e+00 -3.136193493e+00 2.88 -3.094719249e+00 -3.094719249e+00 2.90 -3.050876091e+00 -3.050876091e+00 2.92 -3.004904532e+00 -3.004904532e+00 2.94 -2.957032084e+00 -2.957032084e+00 2.96 -2.907438207e+00 -2.907438207e+00 2.98 -2.856232150e+00 -2.856232150e+00 3.00 -2.803604456e+00 -2.803604456e+00 3.02 -2.749742276e+00 -2.749742276e+00 3.04 -2.694824760e+00 -2.694824760e+00 3.06 -2.639015807e+00 -2.639015807e+00 3.08 -2.582437161e+00 -2.582437161e+00 3.10 -2.525237525e+00 -2.525237525e+00 3.12 -2.467564517e+00 -2.467564517e+00 3.14 -2.409558339e+00 -2.409558339e+00 3.16 -2.351351805e+00 -2.351351805e+00 3.18 -2.293070374e+00 -2.293070374e+00 3.20 -2.234832196e+00 -2.234832196e+00 3.22 -2.176748180e+00 -2.176748180e+00 3.24 -2.118922085e+00 -2.118922085e+00 3.26 -2.061450629e+00 -2.061450629e+00 3.28 -2.004423625e+00 -2.004423625e+00 3.30 -1.947904269e+00 -1.947904269e+00 3.32 -1.891939181e+00 -1.891939181e+00 3.34 -1.836599436e+00 -1.836599436e+00 3.36 -1.781950328e+00 -1.781950328e+00 3.38 -1.728051240e+00 -1.728051240e+00 3.40 -1.674955870e+00 -1.674955870e+00 3.42 -1.622712469e+00 -1.622712469e+00 3.44 -1.571364082e+00 -1.571364082e+00 3.46 -1.520944807e+00 -1.520944807e+00 3.48 -1.471429323e+00 -1.471429323e+00 3.50 -1.422827518e+00 -1.422827518e+00 3.52 -1.375164846e+00 -1.375164846e+00 3.54 -1.328462968e+00 -1.328462968e+00 3.56 -1.282739982e+00 -1.282739982e+00 3.58 -1.238010649e+00 -1.238010649e+00 3.60 -1.194286603e+00 -1.194286603e+00 3.62 -1.151576564e+00 -1.151576564e+00 3.64 -1.109886541e+00 -1.109886541e+00 3.66 -1.069220027e+00 -1.069220027e+00 3.68 -1.029578186e+00 -1.029578186e+00 3.70 -9.909600346e-01 -9.909600346e-01 3.72 -9.533626137e-01 -9.533626137e-01 3.74 -9.167811523e-01 -9.167811523e-01 3.76 -8.812092241e-01 -8.812092241e-01 3.78 -8.466388950e-01 -8.466388950e-01 3.80 -8.130608645e-01 -8.130608645e-01 3.82 -7.804645973e-01 -7.804645973e-01 3.84 -7.488384489e-01 -7.488384489e-01 3.86 -7.181697833e-01 -7.181697833e-01 3.88 -6.884450833e-01 -6.884450833e-01 3.90 -6.596500540e-01 -6.596500540e-01 3.92 -6.317697200e-01 -6.317697200e-01 3.94 -6.047885157e-01 -6.047885157e-01 3.96 -5.786903696e-01 -5.786903696e-01 3.98 -5.534587828e-01 -5.534587828e-01 4.00 -5.290769015e-01 -5.290769015e-01 4.02 -5.055275846e-01 -5.055275846e-01 4.04 -4.827934659e-01 -4.827934659e-01 4.06 -4.608570116e-01 -4.608570116e-01 4.08 -4.397005730e-01 -4.397005730e-01 4.10 -4.193064351e-01 -4.193064351e-01 4.12 -3.996568611e-01 -3.996568611e-01 4.14 -3.807341328e-01 -3.807341328e-01 4.16 -3.625205876e-01 -3.625205876e-01 4.18 -3.449986519e-01 -3.449986519e-01 4.20 -3.281508717e-01 -3.281508717e-01 4.22 -3.119599397e-01 -3.119599397e-01 4.24 -2.964087203e-01 -2.964087203e-01 4.26 -2.814802708e-01 -2.814802708e-01 4.28 -2.671578616e-01 -2.671578616e-01 4.30 -2.534249933e-01 -2.534249933e-01 4.32 -2.402639125e-01 -2.402639125e-01 4.34 -2.276419472e-01 -2.276419472e-01 4.36 -2.155393639e-01 -2.155393639e-01 4.38 -2.039414946e-01 -2.039414946e-01 4.40 -1.928339382e-01 -1.928339382e-01 4.42 -1.822025670e-01 -1.822025670e-01 4.44 -1.720335327e-01 -1.720335327e-01 4.46 -1.623132709e-01 -1.623132709e-01 4.48 -1.530285046e-01 -1.530285046e-01 4.50 -1.441662466e-01 -1.441662466e-01 4.52 -1.357138013e-01 -1.357138013e-01 4.54 -1.276587652e-01 -1.276587652e-01 4.56 -1.199890274e-01 -1.199890274e-01 4.58 -1.126927685e-01 -1.126927685e-01 4.60 -1.057584598e-01 -1.057584598e-01 4.62 -9.917486127e-02 -9.917486127e-02 4.64 -9.293101951e-02 -9.293101951e-02 4.66 -8.700756180e-02 -8.700756180e-02 4.68 -8.138215245e-02 -8.138215245e-02 4.70 -7.604538730e-02 -7.604538730e-02 4.72 -7.098820754e-02 -7.098820754e-02 4.74 -6.620179608e-02 -6.620179608e-02 4.76 -6.167757501e-02 -6.167757501e-02 4.78 -5.740720319e-02 -5.740720319e-02 4.80 -5.338257210e-02 -5.338257210e-02 4.82 -4.959580157e-02 -4.959580157e-02 4.84 -4.603916455e-02 -4.603916455e-02 4.86 -4.270488641e-02 -4.270488641e-02 4.88 -3.958593755e-02 -3.958593755e-02 4.90 -3.666644081e-02 -3.666644081e-02 4.92 -3.392033005e-02 -3.392033005e-02 4.94 -3.134138079e-02 -3.134138079e-02 4.96 -2.892422308e-02 -2.892422308e-02 4.98 -2.666362528e-02 -2.666362528e-02 5.00 -2.453951500e-02 -2.453951500e-02 5.02 -2.253265091e-02 -2.253265091e-02 5.04 -2.063923788e-02 -2.063923788e-02 5.06 -1.885559344e-02 -1.885559344e-02 5.08 -1.717814587e-02 -1.717814587e-02 5.10 -1.560343210e-02 -1.560343210e-02 5.12 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-1.360314492e-05 5.64 3.507288763e-11 3.507288762e-11 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