# 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 = CuFe2Mo # 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 1.893465184e+02 1.893465184e+02 1.30 1.732422975e+02 1.732422975e+02 1.32 1.584774687e+02 1.584774687e+02 1.34 1.449236484e+02 1.449236484e+02 1.36 1.324654510e+02 1.324654510e+02 1.38 1.210017082e+02 1.210017082e+02 1.40 1.104452420e+02 1.104452420e+02 1.42 1.007214301e+02 1.007214301e+02 1.44 9.176594968e+01 9.176594968e+01 1.46 8.352224238e+01 8.352224238e+01 1.48 7.593928291e+01 7.593928291e+01 1.50 6.897001450e+01 6.897001450e+01 1.52 6.257045629e+01 6.257045629e+01 1.54 5.669920628e+01 5.669920628e+01 1.56 5.131709940e+01 5.131709940e+01 1.58 4.638702055e+01 4.638702055e+01 1.60 4.187392796e+01 4.187392796e+01 1.62 3.774496250e+01 3.774496250e+01 1.64 3.396942618e+01 3.396942618e+01 1.66 3.052061784e+01 3.052061784e+01 1.68 2.737262879e+01 2.737262879e+01 1.70 2.449913352e+01 2.449913352e+01 1.72 2.187498151e+01 2.187498151e+01 1.74 1.947631924e+01 1.947631924e+01 1.76 1.728091236e+01 1.728091236e+01 1.78 1.526860253e+01 1.526860253e+01 1.80 1.342166466e+01 1.342166466e+01 1.82 1.172494004e+01 1.172494004e+01 1.84 1.016571373e+01 1.016571373e+01 1.86 8.733381920e+00 8.733381920e+00 1.88 7.418995782e+00 7.418995782e+00 1.90 6.214774790e+00 6.214774790e+00 1.92 5.113668902e+00 5.113668902e+00 1.94 4.109023646e+00 4.109023646e+00 1.96 3.194369128e+00 3.194369128e+00 1.98 2.363322760e+00 2.363322760e+00 2.00 1.609577599e+00 1.609577599e+00 2.02 9.269453868e-01 9.269453868e-01 2.04 3.094276158e-01 3.094276158e-01 2.06 -2.487075238e-01 -2.487075238e-01 2.08 -7.528586906e-01 -7.528586906e-01 2.10 -1.208043254e+00 -1.208043254e+00 2.12 -1.618867046e+00 -1.618867046e+00 2.14 -1.989508451e+00 -1.989508451e+00 2.16 -2.323715719e+00 -2.323715719e+00 2.18 -2.624819633e+00 -2.624819633e+00 2.20 -2.895763414e+00 -2.895763414e+00 2.22 -3.139147588e+00 -3.139147588e+00 2.24 -3.357283382e+00 -3.357283382e+00 2.26 -3.552246886e+00 -3.552246886e+00 2.28 -3.725813809e+00 -3.725813809e+00 2.30 -3.879692570e+00 -3.879692570e+00 2.32 -4.015747839e+00 -4.015747839e+00 2.34 -4.135643468e+00 -4.135643468e+00 2.36 -4.240852398e+00 -4.240852398e+00 2.38 -4.332664951e+00 -4.332664951e+00 2.40 -4.412198756e+00 -4.412198756e+00 2.42 -4.480286560e+00 -4.480286560e+00 2.44 -4.537450691e+00 -4.537450691e+00 2.46 -4.584192992e+00 -4.584192992e+00 2.48 -4.621026676e+00 -4.621026676e+00 2.50 -4.648477182e+00 -4.648477182e+00 2.52 -4.667080472e+00 -4.667080472e+00 2.54 -4.677378457e+00 -4.677378457e+00 2.56 -4.679912429e+00 -4.679912429e+00 2.58 -4.675259460e+00 -4.675259460e+00 2.60 -4.664186105e+00 -4.664186105e+00 2.62 -4.646942408e+00 -4.646942408e+00 2.64 -4.623690339e+00 -4.623690339e+00 2.66 -4.594618653e+00 -4.594618653e+00 2.68 -4.559938748e+00 -4.559938748e+00 2.70 -4.519877868e+00 -4.519877868e+00 2.72 -4.474679751e+00 -4.474679751e+00 2.74 -4.424638578e+00 -4.424638578e+00 2.76 -4.370046093e+00 -4.370046093e+00 2.78 -4.310971878e+00 -4.310971878e+00 2.80 -4.247327948e+00 -4.247327948e+00 2.82 -4.179074801e+00 -4.179074801e+00 2.84 -4.106233849e+00 -4.106233849e+00 2.86 -4.028894406e+00 -4.028894406e+00 2.88 -3.947219270e+00 -3.947219270e+00 2.90 -3.861446072e+00 -3.861446072e+00 2.92 -3.771882655e+00 -3.771882655e+00 2.94 -3.678896125e+00 -3.678896125e+00 2.96 -3.582896416e+00 -3.582896416e+00 2.98 -3.484316028e+00 -3.484316028e+00 3.00 -3.383588166e+00 -3.383588166e+00 3.02 -3.281125748e+00 -3.281125748e+00 3.04 -3.177303669e+00 -3.177303669e+00 3.06 -3.072446375e+00 -3.072446375e+00 3.08 -2.966822111e+00 -2.966822111e+00 3.10 -2.860644330e+00 -2.860644330e+00 3.12 -2.754079800e+00 -2.754079800e+00 3.14 -2.647262088e+00 -2.647262088e+00 3.16 -2.540308473e+00 -2.540308473e+00 3.18 -2.433338023e+00 -2.433338023e+00 3.20 -2.326488567e+00 -2.326488567e+00 3.22 -2.219930541e+00 -2.219930541e+00 3.24 -2.113876180e+00 -2.113876180e+00 3.26 -2.008583205e+00 -2.008583205e+00 3.28 -1.904352888e+00 -1.904352888e+00 3.30 -1.801523146e+00 -1.801523146e+00 3.32 -1.700457909e+00 -1.700457909e+00 3.34 -1.601534374e+00 -1.601534374e+00 3.36 -1.505129750e+00 -1.505129750e+00 3.38 -1.411608778e+00 -1.411608778e+00 3.40 -1.321312830e+00 -1.321312830e+00 3.42 -1.234550812e+00 -1.234550812e+00 3.44 -1.151591722e+00 -1.151591722e+00 3.46 -1.072658542e+00 -1.072658542e+00 3.48 -9.979232578e-01 -9.979232578e-01 3.50 -9.275029959e-01 -9.275029959e-01 3.52 -8.614575347e-01 -8.614575347e-01 3.54 -7.997885716e-01 -7.997885716e-01 3.56 -7.424410992e-01 -7.424410992e-01 3.58 -6.893070699e-01 -6.893070699e-01 3.60 -6.402312584e-01 -6.402312584e-01 3.62 -5.950189749e-01 -5.950189749e-01 3.64 -5.534450721e-01 -5.534450721e-01 3.66 -5.152635971e-01 -5.152635971e-01 3.68 -4.802174328e-01 -4.802174328e-01 3.70 -4.480473547e-01 -4.480473547e-01 3.72 -4.185000418e-01 -4.185000418e-01 3.74 -3.913346656e-01 -3.913346656e-01 3.76 -3.663277838e-01 -3.663277838e-01 3.78 -3.432771784e-01 -3.432771784e-01 3.80 -3.220029486e-01 -3.220029486e-01 3.82 -3.023473474e-01 -3.023473474e-01 3.84 -2.841732152e-01 -2.841732152e-01 3.86 -2.673612455e-01 -2.673612455e-01 3.88 -2.518065296e-01 -2.518065296e-01 3.90 -2.374148785e-01 -2.374148785e-01 3.92 -2.240993992e-01 -2.240993992e-01 3.94 -2.117777075e-01 -2.117777075e-01 3.96 -2.003699874e-01 -2.003699874e-01 3.98 -1.897979325e-01 -1.897979325e-01 4.00 -1.799844609e-01 -1.799844609e-01 4.02 -1.708540259e-01 -1.708540259e-01 4.04 -1.623332547e-01 -1.623332547e-01 4.06 -1.543515163e-01 -1.543515163e-01 4.08 -1.468418735e-01 -1.468418735e-01 4.10 -1.397420136e-01 -1.397420136e-01 4.12 -1.329940825e-01 -1.329940825e-01 4.14 -1.265450188e-01 -1.265450188e-01 4.16 -1.203467598e-01 -1.203467598e-01 4.18 -1.143563621e-01 -1.143563621e-01 4.20 -1.085360975e-01 -1.085360975e-01 4.22 -1.028535707e-01 -1.028535707e-01 4.24 -9.728188478e-02 -9.728188478e-02 4.26 -9.179986251e-02 -9.179986251e-02 4.28 -8.639230480e-02 -8.639230480e-02 4.30 -8.105024555e-02 -8.105024555e-02 4.32 -7.577114052e-02 -7.577114052e-02 4.34 -7.055891200e-02 -7.055891200e-02 4.36 -6.542376568e-02 -6.542376568e-02 4.38 -6.038170419e-02 -6.038170419e-02 4.40 -5.545368781e-02 -5.545368781e-02 4.42 -5.066443417e-02 -5.066443417e-02 4.44 -4.604090244e-02 -4.604090244e-02 4.46 -4.161056336e-02 -4.161056336e-02 4.48 -3.739960163e-02 -3.739960163e-02 4.50 -3.343122161e-02 -3.343122161e-02 4.52 -2.972422355e-02 -2.972422355e-02 4.54 -2.629197371e-02 -2.629197371e-02 4.56 -2.314185519e-02 -2.314185519e-02 4.58 -2.027520379e-02 -2.027520379e-02 4.60 -1.768767485e-02 -1.768767485e-02 4.62 -1.536965962e-02 -1.536965962e-02 4.64 -1.330728158e-02 -1.330728158e-02 4.66 -1.148470021e-02 -1.148470021e-02 4.68 -9.883853470e-03 -9.883853470e-03 4.70 -8.485408509e-03 -8.485408509e-03 4.72 -7.269638653e-03 -7.269638653e-03 4.74 -6.217119475e-03 -6.217119475e-03 4.76 -5.309245568e-03 -5.309245568e-03 4.78 -4.528584482e-03 -4.528584482e-03 4.80 -3.859092369e-03 -3.859092369e-03 4.82 -3.286218851e-03 -3.286218851e-03 4.84 -2.796927443e-03 -2.796927443e-03 4.86 -2.379655748e-03 -2.379655748e-03 4.88 -2.024235008e-03 -2.024235008e-03 4.90 -1.721785015e-03 -1.721785015e-03 4.92 -1.464596409e-03 -1.464596409e-03 4.94 -1.246009143e-03 -1.246009143e-03 4.96 -1.060293159e-03 -1.060293159e-03 4.98 -9.025352185e-04 -9.025352185e-04 5.00 -7.685342340e-04 -7.685342340e-04 5.02 -6.547062555e-04 -6.547062555e-04 5.04 -5.579994815e-04 -5.579994815e-04 5.06 -4.758191009e-04 -4.758191009e-04 5.08 -4.059614372e-04 -4.059614372e-04 5.10 -3.465566669e-04 -3.465566669e-04 5.12 -2.960192956e-04 -2.960192956e-04 5.14 -2.530055470e-04 -2.530055470e-04 5.16 -2.163768476e-04 -2.163768476e-04 5.18 -1.851686338e-04 -1.851686338e-04 5.20 -1.585637764e-04 -1.585637764e-04 5.22 -1.358699877e-04 -1.358699877e-04 5.24 -1.165006441e-04 -1.165006441e-04 5.26 -9.995853321e-05 -9.995853321e-05 5.28 -8.582209039e-05 -8.582209039e-05 5.30 -7.373375460e-05 -7.373375460e-05 5.32 -6.339012190e-05 -6.339012190e-05 5.34 -5.453362242e-05 -5.453362242e-05 5.36 -4.694548670e-05 -4.694548670e-05 5.38 -4.043980211e-05 -4.043980211e-05 5.40 -3.485849038e-05 -3.485849038e-05 5.42 -3.006706296e-05 -3.006706296e-05 5.44 -2.595103295e-05 -2.595103295e-05 5.46 -2.241288138e-05 -2.241288138e-05 5.48 -1.936949111e-05 -1.936949111e-05 5.50 -1.674997566e-05 -1.674997566e-05 5.52 -1.449384117e-05 -1.449384117e-05 5.54 -1.254942989e-05 -1.254942989e-05 5.56 -1.087260121e-05 -1.087260121e-05 5.58 -9.425613494e-06 -9.425613494e-06 5.60 -8.176175670e-06 -8.176175670e-06 5.62 -7.096642216e-06 -7.096642216e-06 5.64 -6.163329600e-06 -6.163329600e-06 5.66 -5.355935416e-06 -5.355935416e-06 5.68 -4.657044531e-06 -4.657044531e-06 5.70 -4.051708933e-06 -4.051708933e-06 5.72 -3.527090065e-06 -3.527090065e-06 5.74 -3.072154169e-06 -3.072154169e-06 5.76 -2.677412598e-06 -2.677412598e-06 5.78 -2.334700351e-06 -2.334700351e-06 5.80 -2.036987057e-06 -2.036987057e-06 5.82 -1.778215569e-06 -1.778215569e-06 5.84 -1.553164045e-06 -1.553164045e-06 5.86 -1.357328014e-06 -1.357328014e-06 5.88 -1.186819480e-06 -1.186819480e-06 5.90 -1.038280544e-06 -1.038280544e-06 5.92 -9.088094040e-07 -9.088094040e-07 5.94 -7.958969293e-07 -7.958969293e-07 5.96 -6.973722531e-07 -6.973722531e-07 5.98 -6.113560828e-07 -6.113560828e-07 6.00 -5.362206025e-07 -5.362206025e-07