# 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 = Cu2NiPt # 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 4.589583896e+02 4.589583896e+02 0.98 4.195345498e+02 4.195345498e+02 1.00 3.836534741e+02 3.836534741e+02 1.02 3.509619711e+02 3.509619711e+02 1.04 3.211549902e+02 3.211549902e+02 1.06 2.939527720e+02 2.939527720e+02 1.08 2.691184950e+02 2.691184950e+02 1.10 2.464337393e+02 2.464337393e+02 1.12 2.257031761e+02 2.257031761e+02 1.14 2.067466897e+02 2.067466897e+02 1.16 1.894102341e+02 1.894102341e+02 1.18 1.735520968e+02 1.735520968e+02 1.20 1.590428168e+02 1.590428168e+02 1.22 1.457599283e+02 1.457599283e+02 1.24 1.336036781e+02 1.336036781e+02 1.26 1.224747767e+02 1.224747767e+02 1.28 1.122835618e+02 1.122835618e+02 1.30 1.029460232e+02 1.029460232e+02 1.32 9.438750533e+01 9.438750533e+01 1.34 8.654264836e+01 8.654264836e+01 1.36 7.935037173e+01 7.935037173e+01 1.38 7.275233972e+01 7.275233972e+01 1.40 6.669903742e+01 6.669903742e+01 1.42 6.114144371e+01 6.114144371e+01 1.44 5.603641011e+01 5.603641011e+01 1.46 5.134425432e+01 5.134425432e+01 1.48 4.703110043e+01 4.703110043e+01 1.50 4.306595128e+01 4.306595128e+01 1.52 3.941903204e+01 3.941903204e+01 1.54 3.606203283e+01 3.606203283e+01 1.56 3.297113144e+01 3.297113144e+01 1.58 3.012426418e+01 3.012426418e+01 1.60 2.750161051e+01 2.750161051e+01 1.62 2.508333720e+01 2.508333720e+01 1.64 2.285373761e+01 2.285373761e+01 1.66 2.079631079e+01 2.079631079e+01 1.68 1.889710168e+01 1.889710168e+01 1.70 1.714410623e+01 1.714410623e+01 1.72 1.552544893e+01 1.552544893e+01 1.74 1.403253032e+01 1.403253032e+01 1.76 1.263346997e+01 1.263346997e+01 1.78 1.134904569e+01 1.134904569e+01 1.80 1.015505925e+01 1.015505925e+01 1.82 9.046233405e+00 9.046233405e+00 1.84 7.986830744e+00 7.986830744e+00 1.86 7.020733021e+00 7.020733021e+00 1.88 6.109494683e+00 6.109494683e+00 1.90 5.250423886e+00 5.250423886e+00 1.92 4.440606780e+00 4.440606780e+00 1.94 3.676961521e+00 3.676961521e+00 1.96 2.959890421e+00 2.959890421e+00 1.98 2.286831502e+00 2.286831502e+00 2.00 1.656514192e+00 1.656514192e+00 2.02 1.067727132e+00 1.067727132e+00 2.04 5.190825588e-01 5.190825588e-01 2.06 9.056337995e-03 9.056337995e-03 2.08 -4.644594253e-01 -4.644594253e-01 2.10 -9.028368081e-01 -9.028368081e-01 2.12 -1.307630204e+00 -1.307630204e+00 2.14 -1.680163140e+00 -1.680163140e+00 2.16 -2.022150047e+00 -2.022150047e+00 2.18 -2.334758674e+00 -2.334758674e+00 2.20 -2.619315270e+00 -2.619315270e+00 2.22 -2.877152975e+00 -2.877152975e+00 2.24 -3.109824019e+00 -3.109824019e+00 2.26 -3.317234776e+00 -3.317234776e+00 2.28 -3.502221701e+00 -3.502221701e+00 2.30 -3.666249425e+00 -3.666249425e+00 2.32 -3.810445650e+00 -3.810445650e+00 2.34 -3.936026472e+00 -3.936026472e+00 2.36 -4.044245517e+00 -4.044245517e+00 2.38 -4.136220047e+00 -4.136220047e+00 2.40 -4.213031196e+00 -4.213031196e+00 2.42 -4.275911197e+00 -4.275911197e+00 2.44 -4.325660731e+00 -4.325660731e+00 2.46 -4.363219723e+00 -4.363219723e+00 2.48 -4.388986925e+00 -4.388986925e+00 2.50 -4.404322960e+00 -4.404322960e+00 2.52 -4.410387748e+00 -4.410387748e+00 2.54 -4.407779747e+00 -4.407779747e+00 2.56 -4.397077450e+00 -4.397077450e+00 2.58 -4.378937799e+00 -4.378937799e+00 2.60 -4.355717955e+00 -4.355717955e+00 2.62 -4.326802306e+00 -4.326802306e+00 2.64 -4.292260368e+00 -4.292260368e+00 2.66 -4.252689187e+00 -4.252689187e+00 2.68 -4.208590435e+00 -4.208590435e+00 2.70 -4.160384742e+00 -4.160384742e+00 2.72 -4.108514831e+00 -4.108514831e+00 2.74 -4.053251714e+00 -4.053251714e+00 2.76 -3.994798849e+00 -3.994798849e+00 2.78 -3.934057648e+00 -3.934057648e+00 2.80 -3.871275443e+00 -3.871275443e+00 2.82 -3.805752147e+00 -3.805752147e+00 2.84 -3.737901489e+00 -3.737901489e+00 2.86 -3.668812675e+00 -3.668812675e+00 2.88 -3.598174254e+00 -3.598174254e+00 2.90 -3.526604101e+00 -3.526604101e+00 2.92 -3.454502018e+00 -3.454502018e+00 2.94 -3.382058108e+00 -3.382058108e+00 2.96 -3.309710569e+00 -3.309710569e+00 2.98 -3.237307657e+00 -3.237307657e+00 3.00 -3.164980976e+00 -3.164980976e+00 3.02 -3.092859329e+00 -3.092859329e+00 3.04 -3.021427982e+00 -3.021427982e+00 3.06 -2.950904617e+00 -2.950904617e+00 3.08 -2.880846381e+00 -2.880846381e+00 3.10 -2.811345424e+00 -2.811345424e+00 3.12 -2.742478431e+00 -2.742478431e+00 3.14 -2.674314057e+00 -2.674314057e+00 3.16 -2.606913543e+00 -2.606913543e+00 3.18 -2.540331264e+00 -2.540331264e+00 3.20 -2.474615267e+00 -2.474615267e+00 3.22 -2.409807780e+00 -2.409807780e+00 3.24 -2.345942898e+00 -2.345942898e+00 3.26 -2.283388940e+00 -2.283388940e+00 3.28 -2.221939620e+00 -2.221939620e+00 3.30 -2.161492145e+00 -2.161492145e+00 3.32 -2.102066184e+00 -2.102066184e+00 3.34 -2.043680305e+00 -2.043680305e+00 3.36 -1.986368729e+00 -1.986368729e+00 3.38 -1.930082443e+00 -1.930082443e+00 3.40 -1.874797789e+00 -1.874797789e+00 3.42 -1.820421863e+00 -1.820421863e+00 3.44 -1.766804127e+00 -1.766804127e+00 3.46 -1.714079059e+00 -1.714079059e+00 3.48 -1.662463248e+00 -1.662463248e+00 3.50 -1.611989493e+00 -1.611989493e+00 3.52 -1.562580365e+00 -1.562580365e+00 3.54 -1.514174617e+00 -1.514174617e+00 3.56 -1.466758367e+00 -1.466758367e+00 3.58 -1.420377235e+00 -1.420377235e+00 3.60 -1.375070975e+00 -1.375070975e+00 3.62 -1.330843994e+00 -1.330843994e+00 3.64 -1.287671446e+00 -1.287671446e+00 3.66 -1.245532794e+00 -1.245532794e+00 3.68 -1.204411192e+00 -1.204411192e+00 3.70 -1.164292657e+00 -1.164292657e+00 3.72 -1.125160216e+00 -1.125160216e+00 3.74 -1.086998097e+00 -1.086998097e+00 3.76 -1.049797769e+00 -1.049797769e+00 3.78 -1.013536911e+00 -1.013536911e+00 3.80 -9.781910121e-01 -9.781910121e-01 3.82 -9.437430085e-01 -9.437430085e-01 3.84 -9.101851757e-01 -9.101851757e-01 3.86 -8.775191681e-01 -8.775191681e-01 3.88 -8.456903826e-01 -8.456903826e-01 3.90 -8.146013053e-01 -8.146013053e-01 3.92 -7.842724708e-01 -7.842724708e-01 3.94 -7.547097200e-01 -7.547097200e-01 3.96 -7.259978958e-01 -7.259978958e-01 3.98 -6.982008302e-01 -6.982008302e-01 4.00 -6.713630459e-01 -6.713630459e-01 4.02 -6.455683436e-01 -6.455683436e-01 4.04 -6.208780697e-01 -6.208780697e-01 4.06 -5.971153870e-01 -5.971153870e-01 4.08 -5.741512994e-01 -5.741512994e-01 4.10 -5.517385392e-01 -5.517385392e-01 4.12 -5.296845057e-01 -5.296845057e-01 4.14 -5.078565132e-01 -5.078565132e-01 4.16 -4.862413862e-01 -4.862413862e-01 4.18 -4.651803067e-01 -4.651803067e-01 4.20 -4.441747527e-01 -4.441747527e-01 4.22 -4.232214217e-01 -4.232214217e-01 4.24 -4.022939948e-01 -4.022939948e-01 4.26 -3.813977981e-01 -3.813977981e-01 4.28 -3.605703321e-01 -3.605703321e-01 4.30 -3.408805142e-01 -3.408805142e-01 4.32 -3.219010447e-01 -3.219010447e-01 4.34 -3.033181743e-01 -3.033181743e-01 4.36 -2.852275007e-01 -2.852275007e-01 4.38 -2.676928261e-01 -2.676928261e-01 4.40 -2.507600090e-01 -2.507600090e-01 4.42 -2.344601388e-01 -2.344601388e-01 4.44 -2.188122014e-01 -2.188122014e-01 4.46 -2.038253303e-01 -2.038253303e-01 4.48 -1.895007022e-01 -1.895007022e-01 4.50 -1.758331305e-01 -1.758331305e-01 4.52 -1.628124010e-01 -1.628124010e-01 4.54 -1.504243868e-01 -1.504243868e-01 4.56 -1.386519766e-01 -1.386519766e-01 4.58 -1.274769206e-01 -1.274769206e-01 4.60 -1.171016823e-01 -1.171016823e-01 4.62 -1.074804294e-01 -1.074804294e-01 4.64 -9.835898077e-02 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-2.687656958e-03 -2.687656958e-03 5.18 -2.230794671e-03 -2.230794671e-03 5.20 -1.800618008e-03 -1.800618008e-03 5.22 -1.395617994e-03 -1.395617994e-03 5.24 -1.014368068e-03 -1.014368068e-03 5.26 -6.555197507e-04 -6.555197507e-04 5.28 -3.180035420e-04 -3.180035420e-04 5.30 -4.963644575e-16 -4.958120792e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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 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