# 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 = AuPb2Pt # 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 4.515296910e+02 4.515296910e+02 1.30 4.223138654e+02 4.223138654e+02 1.32 3.950562561e+02 3.950562561e+02 1.34 3.696092272e+02 3.696092272e+02 1.36 3.458377185e+02 3.458377185e+02 1.38 3.236170490e+02 3.236170490e+02 1.40 3.028328752e+02 3.028328752e+02 1.42 2.833819786e+02 2.833819786e+02 1.44 2.651717987e+02 2.651717987e+02 1.46 2.481183242e+02 2.481183242e+02 1.48 2.321436947e+02 2.321436947e+02 1.50 2.171745359e+02 2.171745359e+02 1.52 2.031408588e+02 2.031408588e+02 1.54 1.899754694e+02 1.899754694e+02 1.56 1.776143348e+02 1.776143348e+02 1.58 1.659977008e+02 1.659977008e+02 1.60 1.550712167e+02 1.550712167e+02 1.62 1.447863243e+02 1.447863243e+02 1.64 1.350997821e+02 1.350997821e+02 1.66 1.259726997e+02 1.259726997e+02 1.68 1.173697770e+02 1.173697770e+02 1.70 1.092589817e+02 1.092589817e+02 1.72 1.016113996e+02 1.016113996e+02 1.74 9.440065728e+01 9.440065728e+01 1.76 8.760471428e+01 8.760471428e+01 1.78 8.124458895e+01 8.124458895e+01 1.80 7.533115192e+01 7.533115192e+01 1.82 6.983165489e+01 6.983165489e+01 1.84 6.471401987e+01 6.471401987e+01 1.86 5.994908943e+01 5.994908943e+01 1.88 5.551080578e+01 5.551080578e+01 1.90 5.137603852e+01 5.137603852e+01 1.92 4.752413189e+01 4.752413189e+01 1.94 4.393629387e+01 4.393629387e+01 1.96 4.059506679e+01 4.059506679e+01 1.98 3.748395377e+01 3.748395377e+01 2.00 3.458725811e+01 3.458725811e+01 2.02 3.189008673e+01 3.189008673e+01 2.04 2.937841853e+01 2.937841853e+01 2.06 2.703916066e+01 2.703916066e+01 2.08 2.486016247e+01 2.486016247e+01 2.10 2.283018728e+01 2.283018728e+01 2.12 2.093885855e+01 2.093885855e+01 2.14 1.917660026e+01 1.917660026e+01 2.16 1.753457189e+01 1.753457189e+01 2.18 1.600461110e+01 1.600461110e+01 2.20 1.457917745e+01 1.457917745e+01 2.22 1.325130609e+01 1.325130609e+01 2.24 1.201456222e+01 1.201456222e+01 2.26 1.086299774e+01 1.086299774e+01 2.28 9.791111573e+00 9.791111573e+00 2.30 8.793803226e+00 8.793803226e+00 2.32 7.866334746e+00 7.866334746e+00 2.34 7.004287078e+00 7.004287078e+00 2.36 6.203523084e+00 6.203523084e+00 2.38 5.460152479e+00 5.460152479e+00 2.40 4.770502885e+00 4.770502885e+00 2.42 4.131099447e+00 4.131099447e+00 2.44 3.538652210e+00 3.538652210e+00 2.46 2.990054031e+00 2.990054031e+00 2.48 2.482383220e+00 2.482383220e+00 2.50 2.012906667e+00 2.012906667e+00 2.52 1.578985083e+00 1.578985083e+00 2.54 1.177154883e+00 1.177154883e+00 2.56 8.052024011e-01 8.052024011e-01 2.58 4.614047818e-01 4.614047818e-01 2.60 1.441083363e-01 1.441083363e-01 2.62 -1.482708700e-01 -1.482708700e-01 2.64 -4.172459013e-01 -4.172459013e-01 2.66 -6.642499248e-01 -6.642499248e-01 2.68 -8.906352011e-01 -8.906352011e-01 2.70 -1.097670527e+00 -1.097670527e+00 2.72 -1.286541767e+00 -1.286541767e+00 2.74 -1.458354248e+00 -1.458354248e+00 2.76 -1.614136509e+00 -1.614136509e+00 2.78 -1.754844912e+00 -1.754844912e+00 2.80 -1.881370077e+00 -1.881370077e+00 2.82 -1.994542953e+00 -1.994542953e+00 2.84 -2.095164674e+00 -2.095164674e+00 2.86 -2.184021994e+00 -2.184021994e+00 2.88 -2.261780132e+00 -2.261780132e+00 2.90 -2.329094312e+00 -2.329094312e+00 2.92 -2.386629165e+00 -2.386629165e+00 2.94 -2.435066618e+00 -2.435066618e+00 2.96 -2.475107727e+00 -2.475107727e+00 2.98 -2.507466533e+00 -2.507466533e+00 3.00 -2.532855990e+00 -2.532855990e+00 3.02 -2.551968362e+00 -2.551968362e+00 3.04 -2.565450894e+00 -2.565450894e+00 3.06 -2.573892691e+00 -2.573892691e+00 3.08 -2.577816159e+00 -2.577816159e+00 3.10 -2.577678167e+00 -2.577678167e+00 3.12 -2.573873883e+00 -2.573873883e+00 3.14 -2.566751775e+00 -2.566751775e+00 3.16 -2.556615722e+00 -2.556615722e+00 3.18 -2.543740203e+00 -2.543740203e+00 3.20 -2.528374997e+00 -2.528374997e+00 3.22 -2.510748448e+00 -2.510748448e+00 3.24 -2.491068423e+00 -2.491068423e+00 3.26 -2.469522200e+00 -2.469522200e+00 3.28 -2.446276544e+00 -2.446276544e+00 3.30 -2.421478770e+00 -2.421478770e+00 3.32 -2.395259011e+00 -2.395259011e+00 3.34 -2.367733436e+00 -2.367733436e+00 3.36 -2.339058915e+00 -2.339058915e+00 3.38 -2.309405287e+00 -2.309405287e+00 3.40 -2.278864180e+00 -2.278864180e+00 3.42 -2.247523159e+00 -2.247523159e+00 3.44 -2.215466459e+00 -2.215466459e+00 3.46 -2.182776542e+00 -2.182776542e+00 3.48 -2.149533737e+00 -2.149533737e+00 3.50 -2.115815763e+00 -2.115815763e+00 3.52 -2.081697093e+00 -2.081697093e+00 3.54 -2.047247710e+00 -2.047247710e+00 3.56 -2.012524498e+00 -2.012524498e+00 3.58 -1.977572766e+00 -1.977572766e+00 3.60 -1.942436184e+00 -1.942436184e+00 3.62 -1.907156864e+00 -1.907156864e+00 3.64 -1.871775487e+00 -1.871775487e+00 3.66 -1.836331577e+00 -1.836331577e+00 3.68 -1.800863799e+00 -1.800863799e+00 3.70 -1.765410173e+00 -1.765410173e+00 3.72 -1.730008064e+00 -1.730008064e+00 3.74 -1.694693917e+00 -1.694693917e+00 3.76 -1.659502711e+00 -1.659502711e+00 3.78 -1.624467229e+00 -1.624467229e+00 3.80 -1.589617263e+00 -1.589617263e+00 3.82 -1.554978921e+00 -1.554978921e+00 3.84 -1.520574158e+00 -1.520574158e+00 3.86 -1.486420615e+00 -1.486420615e+00 3.88 -1.452531774e+00 -1.452531774e+00 3.90 -1.418917387e+00 -1.418917387e+00 3.92 -1.385583498e+00 -1.385583498e+00 3.94 -1.352535666e+00 -1.352535666e+00 3.96 -1.319775862e+00 -1.319775862e+00 3.98 -1.287306045e+00 -1.287306045e+00 4.00 -1.255128322e+00 -1.255128322e+00 4.02 -1.223245885e+00 -1.223245885e+00 4.04 -1.191664003e+00 -1.191664003e+00 4.06 -1.160391066e+00 -1.160391066e+00 4.08 -1.129439601e+00 -1.129439601e+00 4.10 -1.098825556e+00 -1.098825556e+00 4.12 -1.068575795e+00 -1.068575795e+00 4.14 -1.038717568e+00 -1.038717568e+00 4.16 -1.009285793e+00 -1.009285793e+00 4.18 -9.803200867e-01 -9.803200867e-01 4.20 -9.518631381e-01 -9.518631381e-01 4.22 -9.239585039e-01 -9.239585039e-01 4.24 -8.966480214e-01 -8.966480214e-01 4.26 -8.699691185e-01 -8.699691185e-01 4.28 -8.439523311e-01 -8.439523311e-01 4.30 -8.186193100e-01 -8.186193100e-01 4.32 -7.939815160e-01 -7.939815160e-01 4.34 -7.700396927e-01 -7.700396927e-01 4.36 -7.467840871e-01 -7.467840871e-01 4.38 -7.241952988e-01 -7.241952988e-01 4.40 -7.022455779e-01 -7.022455779e-01 4.42 -6.809003801e-01 -6.809003801e-01 4.44 -6.601200010e-01 -6.601200010e-01 4.46 -6.398611504e-01 -6.398611504e-01 4.48 -6.200783773e-01 -6.200783773e-01 4.50 -6.007252999e-01 -6.007252999e-01 4.52 -5.817556387e-01 -5.817556387e-01 4.54 -5.631240788e-01 -5.631240788e-01 4.56 -5.447870077e-01 -5.447870077e-01 4.58 -5.267031827e-01 -5.267031827e-01 4.60 -5.088343840e-01 -5.088343840e-01 4.62 -4.911460992e-01 -4.911460992e-01 4.64 -4.736082704e-01 -4.736082704e-01 4.66 -4.561961181e-01 -4.561961181e-01 4.68 -4.388910282e-01 -4.388910282e-01 4.70 -4.216814642e-01 -4.216814642e-01 4.72 -4.045638380e-01 -4.045638380e-01 4.74 -3.875432512e-01 -3.875432512e-01 4.76 -3.706339979e-01 -3.706339979e-01 4.78 -3.538597199e-01 -3.538597199e-01 4.80 -3.372516811e-01 -3.372516811e-01 4.82 -3.208539074e-01 -3.208539074e-01 4.84 -3.047125426e-01 -3.047125426e-01 4.86 -2.888804667e-01 -2.888804667e-01 4.88 -2.734133500e-01 -2.734133500e-01 4.90 -2.583671623e-01 -2.583671623e-01 4.92 -2.437956329e-01 -2.437956329e-01 4.94 -2.297478670e-01 -2.297478670e-01 4.96 -2.162663001e-01 -2.162663001e-01 4.98 -2.033851330e-01 -2.033851330e-01 5.00 -1.911293277e-01 -1.911293277e-01 5.02 -1.795141864e-01 -1.795141864e-01 5.04 -1.685454788e-01 -1.685454788e-01 5.06 -1.582200397e-01 -1.582200397e-01 5.08 -1.485267349e-01 -1.485267349e-01 5.10 -1.394476813e-01 -1.394476813e-01 5.12 -1.309596072e-01 -1.309596072e-01 5.14 -1.230352511e-01 -1.230352511e-01 5.16 -1.156447108e-01 -1.156447108e-01 5.18 -1.087566756e-01 -1.087566756e-01 5.20 -1.023394778e-01 -1.023394778e-01 5.22 -9.636195693e-02 -9.636195693e-02 5.24 -9.079410847e-02 -9.079410847e-02 5.26 -8.560752325e-02 -8.560752325e-02 5.28 -8.077562497e-02 -8.077562497e-02 5.30 -7.627374457e-02 -7.627374457e-02 5.32 -7.207906930e-02 -7.207906930e-02 5.34 -6.817049973e-02 -6.817049973e-02 5.36 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