# 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 = AgCu2Pt # 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 1.905007154e+02 1.905007154e+02 1.30 1.761576999e+02 1.761576999e+02 1.32 1.628372000e+02 1.628372000e+02 1.34 1.504735642e+02 1.504735642e+02 1.36 1.390046382e+02 1.390046382e+02 1.38 1.283650639e+02 1.283650639e+02 1.40 1.184857963e+02 1.184857963e+02 1.42 1.092984531e+02 1.092984531e+02 1.44 1.007407173e+02 1.007407173e+02 1.46 9.276017828e+01 9.276017828e+01 1.48 8.531514808e+01 8.531514808e+01 1.50 7.837208852e+01 7.837208852e+01 1.52 7.190108167e+01 7.190108167e+01 1.54 6.587193857e+01 6.587193857e+01 1.56 6.025275898e+01 6.025275898e+01 1.58 5.501073958e+01 5.501073958e+01 1.60 5.011383713e+01 5.011383713e+01 1.62 4.554267483e+01 4.554267483e+01 1.64 4.132451791e+01 4.132451791e+01 1.66 3.743737103e+01 3.743737103e+01 1.68 3.385518116e+01 3.385518116e+01 1.70 3.055635453e+01 3.055635453e+01 1.72 2.752249103e+01 2.752249103e+01 1.74 2.473688414e+01 2.473688414e+01 1.76 2.218322904e+01 2.218322904e+01 1.78 1.984496359e+01 1.984496359e+01 1.80 1.770531565e+01 1.770531565e+01 1.82 1.574777151e+01 1.574777151e+01 1.84 1.395659302e+01 1.395659302e+01 1.86 1.231714664e+01 1.231714664e+01 1.88 1.081599788e+01 1.081599788e+01 1.90 9.440859030e+00 9.440859030e+00 1.92 8.180512433e+00 8.180512433e+00 1.94 7.024783717e+00 7.024783717e+00 1.96 5.964564062e+00 5.964564062e+00 1.98 4.991828709e+00 4.991828709e+00 2.00 4.099593269e+00 4.099593269e+00 2.02 3.281787260e+00 3.281787260e+00 2.04 2.533071259e+00 2.533071259e+00 2.06 1.848644325e+00 1.848644325e+00 2.08 1.224079386e+00 1.224079386e+00 2.10 6.552057038e-01 6.552057038e-01 2.12 1.380427052e-01 1.380427052e-01 2.14 -3.312205695e-01 -3.312205695e-01 2.16 -7.562137727e-01 -7.562137727e-01 2.18 -1.140358998e+00 -1.140358998e+00 2.20 -1.486846008e+00 -1.486846008e+00 2.22 -1.798618483e+00 -1.798618483e+00 2.24 -2.078374783e+00 -2.078374783e+00 2.26 -2.328584263e+00 -2.328584263e+00 2.28 -2.551518398e+00 -2.551518398e+00 2.30 -2.749360230e+00 -2.749360230e+00 2.32 -2.925460670e+00 -2.925460670e+00 2.34 -3.081798530e+00 -3.081798530e+00 2.36 -3.219645443e+00 -3.219645443e+00 2.38 -3.340229305e+00 -3.340229305e+00 2.40 -3.444718284e+00 -3.444718284e+00 2.42 -3.534219903e+00 -3.534219903e+00 2.44 -3.609795509e+00 -3.609795509e+00 2.46 -3.672483261e+00 -3.672483261e+00 2.48 -3.723320887e+00 -3.723320887e+00 2.50 -3.763360564e+00 -3.763360564e+00 2.52 -3.793669630e+00 -3.793669630e+00 2.54 -3.815313155e+00 -3.815313155e+00 2.56 -3.829319775e+00 -3.829319775e+00 2.58 -3.836639598e+00 -3.836639598e+00 2.60 -3.838107797e+00 -3.838107797e+00 2.62 -3.834439310e+00 -3.834439310e+00 2.64 -3.826621752e+00 -3.826621752e+00 2.66 -3.814923013e+00 -3.814923013e+00 2.68 -3.799290838e+00 -3.799290838e+00 2.70 -3.779728741e+00 -3.779728741e+00 2.72 -3.756292612e+00 -3.756292612e+00 2.74 -3.729079846e+00 -3.729079846e+00 2.76 -3.698213150e+00 -3.698213150e+00 2.78 -3.663823305e+00 -3.663823305e+00 2.80 -3.626071061e+00 -3.626071061e+00 2.82 -3.585180618e+00 -3.585180618e+00 2.84 -3.541230595e+00 -3.541230595e+00 2.86 -3.494296919e+00 -3.494296919e+00 2.88 -3.444485434e+00 -3.444485434e+00 2.90 -3.391950841e+00 -3.391950841e+00 2.92 -3.336912215e+00 -3.336912215e+00 2.94 -3.279660926e+00 -3.279660926e+00 2.96 -3.220557687e+00 -3.220557687e+00 2.98 -3.160018208e+00 -3.160018208e+00 3.00 -3.098491665e+00 -3.098491665e+00 3.02 -3.036424481e+00 -3.036424481e+00 3.04 -2.974226079e+00 -2.974226079e+00 3.06 -2.912263901e+00 -2.912263901e+00 3.08 -2.850918431e+00 -2.850918431e+00 3.10 -2.790478899e+00 -2.790478899e+00 3.12 -2.731118466e+00 -2.731118466e+00 3.14 -2.672916626e+00 -2.672916626e+00 3.16 -2.615882245e+00 -2.615882245e+00 3.18 -2.559974299e+00 -2.559974299e+00 3.20 -2.505119013e+00 -2.505119013e+00 3.22 -2.451223368e+00 -2.451223368e+00 3.24 -2.398185515e+00 -2.398185515e+00 3.26 -2.345902805e+00 -2.345902805e+00 3.28 -2.294278063e+00 -2.294278063e+00 3.30 -2.243224508e+00 -2.243224508e+00 3.32 -2.192669513e+00 -2.192669513e+00 3.34 -2.142557223e+00 -2.142557223e+00 3.36 -2.092849980e+00 -2.092849980e+00 3.38 -2.043528495e+00 -2.043528495e+00 3.40 -1.994590813e+00 -1.994590813e+00 3.42 -1.946050205e+00 -1.946050205e+00 3.44 -1.897932241e+00 -1.897932241e+00 3.46 -1.850271376e+00 -1.850271376e+00 3.48 -1.803107375e+00 -1.803107375e+00 3.50 -1.756481895e+00 -1.756481895e+00 3.52 -1.710435468e+00 -1.710435468e+00 3.54 -1.665005041e+00 -1.665005041e+00 3.56 -1.620222179e+00 -1.620222179e+00 3.58 -1.576111938e+00 -1.576111938e+00 3.60 -1.532692397e+00 -1.532692397e+00 3.62 -1.489974806e+00 -1.489974806e+00 3.64 -1.447964281e+00 -1.447964281e+00 3.66 -1.406660978e+00 -1.406660978e+00 3.68 -1.366061664e+00 -1.366061664e+00 3.70 -1.326161569e+00 -1.326161569e+00 3.72 -1.286956367e+00 -1.286956367e+00 3.74 -1.248444111e+00 -1.248444111e+00 3.76 -1.210626868e+00 -1.210626868e+00 3.78 -1.173511804e+00 -1.173511804e+00 3.80 -1.137111479e+00 -1.137111479e+00 3.82 -1.101443191e+00 -1.101443191e+00 3.84 -1.066527332e+00 -1.066527332e+00 3.86 -1.032384903e+00 -1.032384903e+00 3.88 -9.990345222e-01 -9.990345222e-01 3.90 -9.664893749e-01 -9.664893749e-01 3.92 -9.347546006e-01 -9.347546006e-01 3.94 -9.038255473e-01 -9.038255473e-01 3.96 -8.736871425e-01 -8.736871425e-01 3.98 -8.443144711e-01 -8.443144711e-01 4.00 -8.156744229e-01 -8.156744229e-01 4.02 -7.877281646e-01 -7.877281646e-01 4.04 -7.604341131e-01 -7.604341131e-01 4.06 -7.337510849e-01 -7.337510849e-01 4.08 -7.076413176e-01 -7.076413176e-01 4.10 -6.820731062e-01 -6.820731062e-01 4.12 -6.570228627e-01 -6.570228627e-01 4.14 -6.324763761e-01 -6.324763761e-01 4.16 -6.084292446e-01 -6.084292446e-01 4.18 -5.848863821e-01 -5.848863821e-01 4.20 -5.618606836e-01 -5.618606836e-01 4.22 -5.393710078e-01 -5.393710078e-01 4.24 -5.174397380e-01 -5.174397380e-01 4.26 -4.960902418e-01 -4.960902418e-01 4.28 -4.753445542e-01 -4.753445542e-01 4.30 -4.552215496e-01 -4.552215496e-01 4.32 -4.357357532e-01 -4.357357532e-01 4.34 -4.168968062e-01 -4.168968062e-01 4.36 -3.987094715e-01 -3.987094715e-01 4.38 -3.811739817e-01 -3.811739817e-01 4.40 -3.642865006e-01 -3.642865006e-01 4.42 -3.480395027e-01 -3.480395027e-01 4.44 -3.324219463e-01 -3.324219463e-01 4.46 -3.174192106e-01 -3.174192106e-01 4.48 -3.030128541e-01 -3.030128541e-01 4.50 -2.891803177e-01 -2.891803177e-01 4.52 -2.758947179e-01 -2.758947179e-01 4.54 -2.631248684e-01 -2.631248684e-01 4.56 -2.508356232e-01 -2.508356232e-01 4.58 -2.389885834e-01 -2.389885834e-01 4.60 -2.275431488e-01 -2.275431488e-01 4.62 -2.164578545e-01 -2.164578545e-01 4.64 -2.056918954e-01 -2.056918954e-01 4.66 -1.952067491e-01 -1.952067491e-01 4.68 -1.849677797e-01 -1.849677797e-01 4.70 -1.749457070e-01 -1.749457070e-01 4.72 -1.651179116e-01 -1.651179116e-01 4.74 -1.554699459e-01 -1.554699459e-01 4.76 -1.459945561e-01 -1.459945561e-01 4.78 -1.366930721e-01 -1.366930721e-01 4.80 -1.275751380e-01 -1.275751380e-01 4.82 -1.186578769e-01 -1.186578769e-01 4.84 -1.099646372e-01 -1.099646372e-01 4.86 -1.015233924e-01 -1.015233924e-01 4.88 -9.336487900e-02 -9.336487900e-02 4.90 -8.552061826e-02 -8.552061826e-02 4.92 -7.802097211e-02 -7.802097211e-02 4.94 -7.089338238e-02 -7.089338238e-02 4.96 -6.416091631e-02 -6.416091631e-02 4.98 -5.784120102e-02 -5.784120102e-02 5.00 -5.194578203e-02 -5.194578203e-02 5.02 -4.647989551e-02 -4.647989551e-02 5.04 -4.144260740e-02 -4.144260740e-02 5.06 -3.682724901e-02 -3.682724901e-02 5.08 -3.262206871e-02 -3.262206871e-02 5.10 -2.881102027e-02 -2.881102027e-02 5.12 -2.537461723e-02 -2.537461723e-02 5.14 -2.229079546e-02 -2.229079546e-02 5.16 -1.953573674e-02 -1.953573674e-02 5.18 -1.708462542e-02 -1.708462542e-02 5.20 -1.491231575e-02 -1.491231575e-02 5.22 -1.299389714e-02 -1.299389714e-02 5.24 -1.130495438e-02 -1.130495438e-02 5.26 -9.822219499e-03 -9.822219499e-03 5.28 -8.524090822e-03 -8.524090822e-03 5.30 -7.390337382e-03 -7.390337382e-03 5.32 -6.402242854e-03 -6.402242854e-03 5.34 -5.542675680e-03 -5.542675680e-03 5.36 -4.796097456e-03 -4.796097456e-03 5.38 -4.148525189e-03 -4.148525189e-03 5.40 -3.587460774e-03 -3.587460774e-03 5.42 -3.101798708e-03 -3.101798708e-03 5.44 -2.681720864e-03 -2.681720864e-03 5.46 -2.318585199e-03 -2.318585199e-03 5.48 -2.004813515e-03 -2.004813515e-03 5.50 -1.733781993e-03 -1.733781993e-03 5.52 -1.499717018e-03 -1.499717018e-03 5.54 -1.297597909e-03 -1.297597909e-03 5.56 -1.123067421e-03 -1.123067421e-03 5.58 -9.723504129e-04 -9.723504129e-04 5.60 -8.421806330e-04 -8.421806330e-04 5.62 -7.297353557e-04 -7.297353557e-04 5.64 -6.325774195e-04 -6.325774195e-04 5.66 -5.486041107e-04 -5.486041107e-04 5.68 -4.760023002e-04 -4.760023002e-04 5.70 -4.132092217e-04 -4.132092217e-04 5.72 -3.588782950e-04 -3.588782950e-04 5.74 -3.118494295e-04 -3.118494295e-04 5.76 -2.711232774e-04 -2.711232774e-04 5.78 -2.358389578e-04 -2.358389578e-04 5.80 -2.052548112e-04 -2.052548112e-04 5.82 -1.787317961e-04 -1.787317961e-04 5.84 -1.557191787e-04 -1.557191787e-04 5.86 -1.357422106e-04 -1.357422106e-04 5.88 -1.183915236e-04 -1.183915236e-04 5.90 -1.033140093e-04 -1.033140093e-04 5.92 -9.020497547e-05 -9.020497547e-05 5.94 -7.880140507e-05 -7.880140507e-05 5.96 -6.887616122e-05 -6.887616122e-05 5.98 -6.023300705e-05 -6.023300705e-05 6.00 -5.270232522e-05 -5.270232522e-05