# 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 = Au2FePb # 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 3.615927305e+02 3.615927305e+02 1.30 3.354710043e+02 3.354710043e+02 1.32 3.112827124e+02 3.112827124e+02 1.34 2.888758154e+02 2.888758154e+02 1.36 2.681088293e+02 2.681088293e+02 1.38 2.488505387e+02 2.488505387e+02 1.40 2.309803240e+02 2.309803240e+02 1.42 2.143881176e+02 2.143881176e+02 1.44 1.989739982e+02 1.989739982e+02 1.46 1.846474414e+02 1.846474414e+02 1.48 1.713261407e+02 1.713261407e+02 1.50 1.589346749e+02 1.589346749e+02 1.52 1.474034446e+02 1.474034446e+02 1.54 1.366679262e+02 1.366679262e+02 1.56 1.266681958e+02 1.266681958e+02 1.58 1.173486725e+02 1.173486725e+02 1.60 1.086581037e+02 1.086581037e+02 1.62 1.005496561e+02 1.005496561e+02 1.64 9.298092170e+01 9.298092170e+01 1.66 8.591369632e+01 8.591369632e+01 1.68 7.931354140e+01 7.931354140e+01 1.70 7.314923599e+01 7.314923599e+01 1.72 6.739514478e+01 6.739514478e+01 1.74 6.204820414e+01 6.204820414e+01 1.76 5.709141060e+01 5.709141060e+01 1.78 5.249954280e+01 5.249954280e+01 1.80 4.824618613e+01 4.824618613e+01 1.82 4.430623750e+01 4.430623750e+01 1.84 4.065602932e+01 4.065602932e+01 1.86 3.727350625e+01 3.727350625e+01 1.88 3.413837472e+01 3.413837472e+01 1.90 3.123212441e+01 3.123212441e+01 1.92 2.853792200e+01 2.853792200e+01 1.94 2.604038527e+01 2.604038527e+01 1.96 2.372533121e+01 2.372533121e+01 1.98 2.157955246e+01 2.157955246e+01 2.00 1.959068084e+01 1.959068084e+01 2.02 1.774714588e+01 1.774714588e+01 2.04 1.603818876e+01 1.603818876e+01 2.06 1.445388319e+01 1.445388319e+01 2.08 1.298512884e+01 1.298512884e+01 2.10 1.162361670e+01 1.162361670e+01 2.12 1.036176361e+01 1.036176361e+01 2.14 9.192637401e+00 9.192637401e+00 2.16 8.109874984e+00 8.109874984e+00 2.18 7.107604636e+00 7.107604636e+00 2.20 6.180376814e+00 6.180376814e+00 2.22 5.323112702e+00 5.323112702e+00 2.24 4.531067688e+00 4.531067688e+00 2.26 3.799807660e+00 3.799807660e+00 2.28 3.125188603e+00 3.125188603e+00 2.30 2.503344002e+00 2.503344002e+00 2.32 1.930666188e+00 1.930666188e+00 2.34 1.403790595e+00 1.403790595e+00 2.36 9.195818272e-01 9.195818272e-01 2.38 4.751207193e-01 4.751207193e-01 2.40 6.769234330e-02 6.769234330e-02 2.42 -3.052266528e-01 -3.052266528e-01 2.44 -6.459834892e-01 -6.459834892e-01 2.46 -9.567667676e-01 -9.567667676e-01 2.48 -1.239625619e+00 -1.239625619e+00 2.50 -1.496488203e+00 -1.496488203e+00 2.52 -1.729177813e+00 -1.729177813e+00 2.54 -1.939425425e+00 -1.939425425e+00 2.56 -2.128878050e+00 -2.128878050e+00 2.58 -2.299102479e+00 -2.299102479e+00 2.60 -2.451584029e+00 -2.451584029e+00 2.62 -2.587720164e+00 -2.587720164e+00 2.64 -2.708811904e+00 -2.708811904e+00 2.66 -2.816051857e+00 -2.816051857e+00 2.68 -2.910642033e+00 -2.910642033e+00 2.70 -2.993534086e+00 -2.993534086e+00 2.72 -3.065416281e+00 -3.065416281e+00 2.74 -3.126918461e+00 -3.126918461e+00 2.76 -3.178618924e+00 -3.178618924e+00 2.78 -3.221045123e+00 -3.221045123e+00 2.80 -3.254691908e+00 -3.254691908e+00 2.82 -3.280030629e+00 -3.280030629e+00 2.84 -3.297512224e+00 -3.297512224e+00 2.86 -3.307567530e+00 -3.307567530e+00 2.88 -3.310626529e+00 -3.310626529e+00 2.90 -3.307123227e+00 -3.307123227e+00 2.92 -3.297461915e+00 -3.297461915e+00 2.94 -3.281973112e+00 -3.281973112e+00 2.96 -3.261001014e+00 -3.261001014e+00 2.98 -3.234914246e+00 -3.234914246e+00 3.00 -3.204100801e+00 -3.204100801e+00 3.02 -3.168962969e+00 -3.168962969e+00 3.04 -3.129911164e+00 -3.129911164e+00 3.06 -3.087359266e+00 -3.087359266e+00 3.08 -3.041714995e+00 -3.041714995e+00 3.10 -2.993407986e+00 -2.993407986e+00 3.12 -2.942793821e+00 -2.942793821e+00 3.14 -2.890188248e+00 -2.890188248e+00 3.16 -2.835891490e+00 -2.835891490e+00 3.18 -2.780190650e+00 -2.780190650e+00 3.20 -2.723360388e+00 -2.723360388e+00 3.22 -2.665664957e+00 -2.665664957e+00 3.24 -2.607359441e+00 -2.607359441e+00 3.26 -2.548685970e+00 -2.548685970e+00 3.28 -2.489868554e+00 -2.489868554e+00 3.30 -2.431119849e+00 -2.431119849e+00 3.32 -2.372638468e+00 -2.372638468e+00 3.34 -2.314605136e+00 -2.314605136e+00 3.36 -2.257179317e+00 -2.257179317e+00 3.38 -2.200496751e+00 -2.200496751e+00 3.40 -2.144668011e+00 -2.144668011e+00 3.42 -2.089779221e+00 -2.089779221e+00 3.44 -2.035892230e+00 -2.035892230e+00 3.46 -1.983047665e+00 -1.983047665e+00 3.48 -1.931267724e+00 -1.931267724e+00 3.50 -1.880559543e+00 -1.880559543e+00 3.52 -1.830918623e+00 -1.830918623e+00 3.54 -1.782332086e+00 -1.782332086e+00 3.56 -1.734781591e+00 -1.734781591e+00 3.58 -1.688245833e+00 -1.688245833e+00 3.60 -1.642702594e+00 -1.642702594e+00 3.62 -1.598130355e+00 -1.598130355e+00 3.64 -1.554509484e+00 -1.554509484e+00 3.66 -1.511823018e+00 -1.511823018e+00 3.68 -1.470057040e+00 -1.470057040e+00 3.70 -1.429200669e+00 -1.429200669e+00 3.72 -1.389245666e+00 -1.389245666e+00 3.74 -1.350185713e+00 -1.350185713e+00 3.76 -1.312015458e+00 -1.312015458e+00 3.78 -1.274729439e+00 -1.274729439e+00 3.80 -1.238321057e+00 -1.238321057e+00 3.82 -1.202781724e+00 -1.202781724e+00 3.84 -1.168100303e+00 -1.168100303e+00 3.86 -1.134262892e+00 -1.134262892e+00 3.88 -1.101252908e+00 -1.101252908e+00 3.90 -1.069051437e+00 -1.069051437e+00 3.92 -1.037637319e+00 -1.037637319e+00 3.94 -1.006989383e+00 -1.006989383e+00 3.96 -9.770843314e-01 -9.770843314e-01 3.98 -9.478990621e-01 -9.478990621e-01 4.00 -9.194105566e-01 -9.194105566e-01 4.02 -8.915961839e-01 -8.915961839e-01 4.04 -8.644339528e-01 -8.644339528e-01 4.06 -8.379027431e-01 -8.379027431e-01 4.08 -8.119825474e-01 -8.119825474e-01 4.10 -7.866536819e-01 -7.866536819e-01 4.12 -7.619015642e-01 -7.619015642e-01 4.14 -7.377100729e-01 -7.377100729e-01 4.16 -7.140668665e-01 -7.140668665e-01 4.18 -6.909624685e-01 -6.909624685e-01 4.20 -6.683905959e-01 -6.683905959e-01 4.22 -6.463483640e-01 -6.463483640e-01 4.24 -6.248363010e-01 -6.248363010e-01 4.26 -6.038581115e-01 -6.038581115e-01 4.28 -5.834201520e-01 -5.834201520e-01 4.30 -5.635306154e-01 -5.635306154e-01 4.32 -5.441984642e-01 -5.441984642e-01 4.34 -5.254321997e-01 -5.254321997e-01 4.36 -5.072385862e-01 -5.072385862e-01 4.38 -4.896214697e-01 -4.896214697e-01 4.40 -4.725808185e-01 -4.725808185e-01 4.42 -4.561120827e-01 -4.561120827e-01 4.44 -4.402059232e-01 -4.402059232e-01 4.46 -4.248483026e-01 -4.248483026e-01 4.48 -4.100208893e-01 -4.100208893e-01 4.50 -3.957016912e-01 -3.957016912e-01 4.52 -3.818658240e-01 -3.818658240e-01 4.54 -3.684863264e-01 -3.684863264e-01 4.56 -3.555349482e-01 -3.555349482e-01 4.58 -3.429828641e-01 -3.429828641e-01 4.60 -3.308012869e-01 -3.308012869e-01 4.62 -3.189619789e-01 -3.189619789e-01 4.64 -3.074376681e-01 -3.074376681e-01 4.66 -2.962023936e-01 -2.962023936e-01 4.68 -2.852318011e-01 -2.852318011e-01 4.70 -2.745034138e-01 -2.745034138e-01 4.72 -2.639968982e-01 -2.639968982e-01 4.74 -2.536943397e-01 -2.536943397e-01 4.76 -2.435805324e-01 -2.435805324e-01 4.78 -2.336432834e-01 -2.336432834e-01 4.80 -2.238729581e-01 -2.238729581e-01 4.82 -2.142659223e-01 -2.142659223e-01 4.84 -2.048198386e-01 -2.048198386e-01 4.86 -1.955372509e-01 -1.955372509e-01 4.88 -1.864246971e-01 -1.864246971e-01 4.90 -1.774925577e-01 -1.774925577e-01 4.92 -1.687547067e-01 -1.687547067e-01 4.94 -1.602279501e-01 -1.602279501e-01 4.96 -1.519312585e-01 -1.519312585e-01 4.98 -1.438848248e-01 -1.438848248e-01 5.00 -1.361090022e-01 -1.361090022e-01 5.02 -1.286232010e-01 -1.286232010e-01 5.04 -1.214448273e-01 -1.214448273e-01 5.06 -1.145883548e-01 -1.145883548e-01 5.08 -1.080646088e-01 -1.080646088e-01 5.10 -1.018803078e-01 -1.018803078e-01 5.12 -9.603788552e-02 -9.603788552e-02 5.14 -9.053558009e-02 -9.053558009e-02 5.16 -8.536776212e-02 -8.536776212e-02 5.18 -8.052544069e-02 -8.052544069e-02 5.20 -7.599683382e-02 -7.599683382e-02 5.22 -7.176753619e-02 -7.176753619e-02 5.24 -6.782254875e-02 -6.782254875e-02 5.26 -6.414612924e-02 -6.414612924e-02 5.28 -6.072201404e-02 -6.072201404e-02 5.30 -5.753387634e-02 -5.753387634e-02 5.32 -5.456566166e-02 -5.456566166e-02 5.34 -5.180181499e-02 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-1.645079467e-02 -1.645079467e-02 5.88 -1.566797132e-02 -1.566797132e-02 5.90 -1.489814712e-02 -1.489814712e-02 5.92 -1.414088440e-02 -1.414088440e-02 5.94 -1.339606391e-02 -1.339606391e-02 5.96 -1.266382151e-02 -1.266382151e-02 5.98 -1.194468930e-02 -1.194468930e-02 6.00 -1.123949856e-02 -1.123949856e-02