# 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 = NiPb2Pd # 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 3.285425494e+02 3.285425494e+02 1.30 3.062425499e+02 3.062425499e+02 1.32 2.855103061e+02 2.855103061e+02 1.34 2.662255478e+02 2.662255478e+02 1.36 2.482760543e+02 2.482760543e+02 1.38 2.315573773e+02 2.315573773e+02 1.40 2.159739537e+02 2.159739537e+02 1.42 2.014396841e+02 2.014396841e+02 1.44 1.878770887e+02 1.878770887e+02 1.46 1.752157695e+02 1.752157695e+02 1.48 1.633912006e+02 1.633912006e+02 1.50 1.523439876e+02 1.523439876e+02 1.52 1.420191660e+02 1.420191660e+02 1.54 1.323655222e+02 1.323655222e+02 1.56 1.233351726e+02 1.233351726e+02 1.58 1.148835363e+02 1.148835363e+02 1.60 1.069694360e+02 1.069694360e+02 1.62 9.955509726e+01 9.955509726e+01 1.64 9.260593543e+01 9.260593543e+01 1.66 8.609027656e+01 8.609027656e+01 1.68 7.997910568e+01 7.997910568e+01 1.70 7.425949433e+01 7.425949433e+01 1.72 6.892537513e+01 6.892537513e+01 1.74 6.395146630e+01 6.395146630e+01 1.76 5.931350238e+01 5.931350238e+01 1.78 5.498880834e+01 5.498880834e+01 1.80 5.095609281e+01 5.095609281e+01 1.82 4.719530590e+01 4.719530590e+01 1.84 4.368760757e+01 4.368760757e+01 1.86 4.041540989e+01 4.041540989e+01 1.88 3.736244836e+01 3.736244836e+01 1.90 3.451377482e+01 3.451377482e+01 1.92 3.185564107e+01 3.185564107e+01 1.94 2.937533927e+01 2.937533927e+01 1.96 2.706104490e+01 2.706104490e+01 1.98 2.490171676e+01 2.490171676e+01 2.00 2.288703830e+01 2.288703830e+01 2.02 2.100737867e+01 2.100737867e+01 2.04 1.925375392e+01 1.925375392e+01 2.06 1.761779245e+01 1.761779245e+01 2.08 1.609171205e+01 1.609171205e+01 2.10 1.466829695e+01 1.466829695e+01 2.12 1.334088011e+01 1.334088011e+01 2.14 1.210330764e+01 1.210330764e+01 2.16 1.094989204e+01 1.094989204e+01 2.18 9.875358050e+00 9.875358050e+00 2.20 8.874785027e+00 8.874785027e+00 2.22 7.943562318e+00 7.943562318e+00 2.24 7.077356535e+00 7.077356535e+00 2.26 6.272092052e+00 6.272092052e+00 2.28 5.523940860e+00 5.523940860e+00 2.30 4.829308504e+00 4.829308504e+00 2.32 4.184812751e+00 4.184812751e+00 2.34 3.587263282e+00 3.587263282e+00 2.36 3.033627309e+00 3.033627309e+00 2.38 2.521008384e+00 2.521008384e+00 2.40 2.046638047e+00 2.046638047e+00 2.42 1.607883410e+00 1.607883410e+00 2.44 1.202263786e+00 1.202263786e+00 2.46 8.274683024e-01 8.274683024e-01 2.48 4.813652265e-01 4.813652265e-01 2.50 1.620003045e-01 1.620003045e-01 2.52 -1.324142595e-01 -1.324142595e-01 2.54 -4.035158222e-01 -4.035158222e-01 2.56 -6.528085393e-01 -6.528085393e-01 2.58 -8.816784135e-01 -8.816784135e-01 2.60 -1.091407378e+00 -1.091407378e+00 2.62 -1.283188351e+00 -1.283188351e+00 2.64 -1.458142663e+00 -1.458142663e+00 2.66 -1.617326145e+00 -1.617326145e+00 2.68 -1.761779391e+00 -1.761779391e+00 2.70 -1.892740158e+00 -1.892740158e+00 2.72 -2.011070462e+00 -2.011070462e+00 2.74 -2.117484338e+00 -2.117484338e+00 2.76 -2.212604270e+00 -2.212604270e+00 2.78 -2.297044926e+00 -2.297044926e+00 2.80 -2.371415318e+00 -2.371415318e+00 2.82 -2.436308348e+00 -2.436308348e+00 2.84 -2.492297842e+00 -2.492297842e+00 2.86 -2.539942322e+00 -2.539942322e+00 2.88 -2.579812602e+00 -2.579812602e+00 2.90 -2.612470075e+00 -2.612470075e+00 2.92 -2.638452265e+00 -2.638452265e+00 2.94 -2.658271979e+00 -2.658271979e+00 2.96 -2.672414231e+00 -2.672414231e+00 2.98 -2.681332370e+00 -2.681332370e+00 3.00 -2.685445176e+00 -2.685445176e+00 3.02 -2.685136321e+00 -2.685136321e+00 3.04 -2.680756041e+00 -2.680756041e+00 3.06 -2.672628661e+00 -2.672628661e+00 3.08 -2.661054390e+00 -2.661054390e+00 3.10 -2.646318811e+00 -2.646318811e+00 3.12 -2.628696311e+00 -2.628696311e+00 3.14 -2.608459352e+00 -2.608459352e+00 3.16 -2.585917606e+00 -2.585917606e+00 3.18 -2.561342720e+00 -2.561342720e+00 3.20 -2.534922084e+00 -2.534922084e+00 3.22 -2.506846288e+00 -2.506846288e+00 3.24 -2.477301850e+00 -2.477301850e+00 3.26 -2.446464642e+00 -2.446464642e+00 3.28 -2.414495275e+00 -2.414495275e+00 3.30 -2.381536841e+00 -2.381536841e+00 3.32 -2.347714159e+00 -2.347714159e+00 3.34 -2.313124726e+00 -2.313124726e+00 3.36 -2.277843137e+00 -2.277843137e+00 3.38 -2.241937107e+00 -2.241937107e+00 3.40 -2.205469114e+00 -2.205469114e+00 3.42 -2.168498672e+00 -2.168498672e+00 3.44 -2.131080982e+00 -2.131080982e+00 3.46 -2.093268521e+00 -2.093268521e+00 3.48 -2.055110714e+00 -2.055110714e+00 3.50 -2.016653947e+00 -2.016653947e+00 3.52 -1.977941682e+00 -1.977941682e+00 3.54 -1.939014752e+00 -1.939014752e+00 3.56 -1.899911865e+00 -1.899911865e+00 3.58 -1.860670312e+00 -1.860670312e+00 3.60 -1.821326807e+00 -1.821326807e+00 3.62 -1.781918425e+00 -1.781918425e+00 3.64 -1.742483510e+00 -1.742483510e+00 3.66 -1.703062499e+00 -1.703062499e+00 3.68 -1.663698527e+00 -1.663698527e+00 3.70 -1.624437747e+00 -1.624437747e+00 3.72 -1.585329286e+00 -1.585329286e+00 3.74 -1.546424835e+00 -1.546424835e+00 3.76 -1.507777900e+00 -1.507777900e+00 3.78 -1.469442827e+00 -1.469442827e+00 3.80 -1.431473698e+00 -1.431473698e+00 3.82 -1.393923232e+00 -1.393923232e+00 3.84 -1.356841744e+00 -1.356841744e+00 3.86 -1.320276178e+00 -1.320276178e+00 3.88 -1.284269222e+00 -1.284269222e+00 3.90 -1.248858476e+00 -1.248858476e+00 3.92 -1.214074999e+00 -1.214074999e+00 3.94 -1.179945898e+00 -1.179945898e+00 3.96 -1.146489232e+00 -1.146489232e+00 3.98 -1.113717625e+00 -1.113717625e+00 4.00 -1.081637947e+00 -1.081637947e+00 4.02 -1.050252251e+00 -1.050252251e+00 4.04 -1.019558891e+00 -1.019558891e+00 4.06 -9.895536563e-01 -9.895536563e-01 4.08 -9.602307186e-01 -9.602307186e-01 4.10 -9.315812811e-01 -9.315812811e-01 4.12 -9.036020976e-01 -9.036020976e-01 4.14 -8.762822942e-01 -8.762822942e-01 4.16 -8.496120859e-01 -8.496120859e-01 4.18 -8.235797756e-01 -8.235797756e-01 4.20 -7.981712048e-01 -7.981712048e-01 4.22 -7.733693957e-01 -7.733693957e-01 4.24 -7.491545072e-01 -7.491545072e-01 4.26 -7.255041687e-01 -7.255041687e-01 4.28 -7.023941915e-01 -7.023941915e-01 4.30 -6.797995980e-01 -6.797995980e-01 4.32 -6.576958685e-01 -6.576958685e-01 4.34 -6.360602762e-01 -6.360602762e-01 4.36 -6.148731721e-01 -6.148731721e-01 4.38 -5.941190835e-01 -5.941190835e-01 4.40 -5.737875031e-01 -5.737875031e-01 4.42 -5.538732689e-01 -5.538732689e-01 4.44 -5.343764737e-01 -5.343764737e-01 4.46 -5.153018929e-01 -5.153018929e-01 4.48 -4.966579783e-01 -4.966579783e-01 4.50 -4.784555290e-01 -4.784555290e-01 4.52 -4.607062039e-01 -4.607062039e-01 4.54 -4.434210665e-01 -4.434210665e-01 4.56 -4.266093543e-01 -4.266093543e-01 4.58 -4.102776227e-01 -4.102776227e-01 4.60 -3.944293518e-01 -3.944293518e-01 4.62 -3.790650207e-01 -3.790650207e-01 4.64 -3.641825821e-01 -3.641825821e-01 4.66 -3.497782076e-01 -3.497782076e-01 4.68 -3.358471442e-01 -3.358471442e-01 4.70 -3.223845233e-01 -3.223845233e-01 4.72 -3.093859840e-01 -3.093859840e-01 4.74 -2.968480196e-01 -2.968480196e-01 4.76 -2.847680070e-01 -2.847680070e-01 4.78 -2.731439344e-01 -2.731439344e-01 4.80 -2.619723584e-01 -2.619723584e-01 4.82 -2.512541023e-01 -2.512541023e-01 4.84 -2.409836184e-01 -2.409836184e-01 4.86 -2.311552832e-01 -2.311552832e-01 4.88 -2.217611025e-01 -2.217611025e-01 4.90 -2.127904434e-01 -2.127904434e-01 4.92 -2.042299966e-01 -2.042299966e-01 4.94 -1.960639574e-01 -1.960639574e-01 4.96 -1.882743897e-01 -1.882743897e-01 4.98 -1.808417212e-01 -1.808417212e-01 5.00 -1.737453154e-01 -1.737453154e-01 5.02 -1.669640615e-01 -1.669640615e-01 5.04 -1.604769475e-01 -1.604769475e-01 5.06 -1.542635804e-01 -1.542635804e-01 5.08 -1.483046303e-01 -1.483046303e-01 5.10 -1.425821888e-01 -1.425821888e-01 5.12 -1.370800385e-01 -1.370800385e-01 5.14 -1.317838310e-01 -1.317838310e-01 5.16 -1.266811772e-01 -1.266811772e-01 5.18 -1.217616584e-01 -1.217616584e-01 5.20 -1.170167591e-01 -1.170167591e-01 5.22 -1.124397289e-01 -1.124397289e-01 5.24 -1.080253815e-01 -1.080253815e-01 5.26 -1.037698418e-01 -1.037698418e-01 5.28 -9.967015486e-02 -9.967015486e-02 5.30 -9.572352435e-02 -9.572352435e-02 5.32 -9.192837698e-02 -9.192837698e-02 5.34 -8.828332619e-02 -8.828332619e-02 5.36 -8.478671014e-02 -8.478671014e-02 5.38 -8.143637855e-02 -8.143637855e-02 5.40 -7.822953816e-02 -7.822953816e-02 5.42 -7.516266209e-02 -7.516266209e-02 5.44 -7.223146169e-02 -7.223146169e-02 5.46 -6.943091467e-02 -6.943091467e-02 5.48 -6.675533886e-02 -6.675533886e-02 5.50 -6.419849922e-02 -6.419849922e-02 5.52 -6.175373484e-02 -6.175373484e-02 5.54 -5.941409403e-02 -5.941409403e-02 5.56 -5.717246730e-02 -5.717246730e-02 5.58 -5.502171086e-02 -5.502171086e-02 5.60 -5.295475556e-02 -5.295475556e-02 5.62 -5.096469905e-02 -5.096469905e-02 5.64 -4.904488068e-02 -4.904488068e-02 5.66 -4.718894028e-02 -4.718894028e-02 5.68 -4.539086284e-02 -4.539086284e-02 5.70 -4.364501208e-02 -4.364501208e-02 5.72 -4.194615534e-02 -4.194615534e-02 5.74 -4.028948296e-02 -4.028948296e-02 5.76 -3.867062436e-02 -3.867062436e-02 5.78 -3.708566286e-02 -3.708566286e-02 5.80 -3.553114985e-02 -3.553114985e-02 5.82 -3.400412074e-02 -3.400412074e-02 5.84 -3.250211164e-02 -3.250211164e-02 5.86 -3.102317638e-02 -3.102317638e-02 5.88 -2.956590283e-02 -2.956590283e-02 5.90 -2.812942666e-02 -2.812942666e-02 5.92 -2.671344036e-02 -2.671344036e-02 5.94 -2.531819484e-02 -2.531819484e-02 5.96 -2.394449085e-02 -2.394449085e-02 5.98 -2.259365857e-02 -2.259365857e-02 6.00 -2.126752035e-02 -2.126752035e-02