# 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 = CuPd2Ti # 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 2.499545070e+02 2.499545070e+02 1.30 2.314559006e+02 2.314559006e+02 1.32 2.143254762e+02 2.143254762e+02 1.34 1.984586896e+02 1.984586896e+02 1.36 1.837567308e+02 1.837567308e+02 1.38 1.701256595e+02 1.701256595e+02 1.40 1.574777097e+02 1.574777097e+02 1.42 1.457327084e+02 1.457327084e+02 1.44 1.348187728e+02 1.348187728e+02 1.46 1.246722169e+02 1.246722169e+02 1.48 1.152365773e+02 1.152365773e+02 1.50 1.064609520e+02 1.064609520e+02 1.52 9.829822483e+01 9.829822483e+01 1.54 9.070380287e+01 9.070380287e+01 1.56 8.363509895e+01 8.363509895e+01 1.58 7.705157916e+01 7.705157916e+01 1.60 7.091520462e+01 7.091520462e+01 1.62 6.519111857e+01 6.519111857e+01 1.64 5.984821202e+01 5.984821202e+01 1.66 5.485917529e+01 5.485917529e+01 1.68 5.020003478e+01 5.020003478e+01 1.70 4.585117091e+01 4.585117091e+01 1.72 4.181900374e+01 4.181900374e+01 1.74 3.809067575e+01 3.809067575e+01 1.76 3.464439548e+01 3.464439548e+01 1.78 3.145950640e+01 3.145950640e+01 1.80 2.851665121e+01 2.851665121e+01 1.82 2.579786559e+01 2.579786559e+01 1.84 2.328654054e+01 2.328654054e+01 1.86 2.096728049e+01 2.096728049e+01 1.88 1.882572625e+01 1.882572625e+01 1.90 1.684843797e+01 1.684843797e+01 1.92 1.502289665e+01 1.502289665e+01 1.94 1.333758616e+01 1.333758616e+01 1.96 1.178205400e+01 1.178205400e+01 1.98 1.034687235e+01 1.034687235e+01 2.00 9.023501658e+00 9.023501658e+00 2.02 7.804112674e+00 7.804112674e+00 2.04 6.681426008e+00 6.681426008e+00 2.06 5.648604836e+00 5.648604836e+00 2.08 4.699208465e+00 4.699208465e+00 2.10 3.827190893e+00 3.827190893e+00 2.12 3.026914908e+00 3.026914908e+00 2.14 2.293157410e+00 2.293157410e+00 2.16 1.621095921e+00 1.621095921e+00 2.18 1.006279270e+00 1.006279270e+00 2.20 4.445908740e-01 4.445908740e-01 2.22 -6.778747117e-02 -6.778747117e-02 2.24 -5.344048996e-01 -5.344048996e-01 2.26 -9.585620430e-01 -9.585620430e-01 2.28 -1.343326739e+00 -1.343326739e+00 2.30 -1.691551201e+00 -1.691551201e+00 2.32 -2.005895462e+00 -2.005895462e+00 2.34 -2.288852803e+00 -2.288852803e+00 2.36 -2.542771124e+00 -2.542771124e+00 2.38 -2.769866862e+00 -2.769866862e+00 2.40 -2.972234566e+00 -2.972234566e+00 2.42 -3.151856652e+00 -3.151856652e+00 2.44 -3.310614486e+00 -3.310614486e+00 2.46 -3.450297977e+00 -3.450297977e+00 2.48 -3.572608012e+00 -3.572608012e+00 2.50 -3.679149190e+00 -3.679149190e+00 2.52 -3.771462741e+00 -3.771462741e+00 2.54 -3.850857782e+00 -3.850857782e+00 2.56 -3.918451061e+00 -3.918451061e+00 2.58 -3.975213294e+00 -3.975213294e+00 2.60 -4.021979779e+00 -4.021979779e+00 2.62 -4.059474449e+00 -4.059474449e+00 2.64 -4.088339689e+00 -4.088339689e+00 2.66 -4.109185881e+00 -4.109185881e+00 2.68 -4.123086409e+00 -4.123086409e+00 2.70 -4.130638000e+00 -4.130638000e+00 2.72 -4.131813256e+00 -4.131813256e+00 2.74 -4.126589772e+00 -4.126589772e+00 2.76 -4.115031423e+00 -4.115031423e+00 2.78 -4.097265149e+00 -4.097265149e+00 2.80 -4.073464733e+00 -4.073464733e+00 2.82 -4.043842082e+00 -4.043842082e+00 2.84 -4.008666483e+00 -4.008666483e+00 2.86 -3.968333277e+00 -3.968333277e+00 2.88 -3.923295407e+00 -3.923295407e+00 2.90 -3.874027176e+00 -3.874027176e+00 2.92 -3.821022517e+00 -3.821022517e+00 2.94 -3.764787463e+00 -3.764787463e+00 2.96 -3.705827369e+00 -3.705827369e+00 2.98 -3.644632124e+00 -3.644632124e+00 3.00 -3.581662624e+00 -3.581662624e+00 3.02 -3.517340440e+00 -3.517340440e+00 3.04 -3.452040869e+00 -3.452040869e+00 3.06 -3.386088888e+00 -3.386088888e+00 3.08 -3.319756867e+00 -3.319756867e+00 3.10 -3.253265001e+00 -3.253265001e+00 3.12 -3.186784204e+00 -3.186784204e+00 3.14 -3.120442048e+00 -3.120442048e+00 3.16 -3.054330227e+00 -3.054330227e+00 3.18 -2.988513246e+00 -2.988513246e+00 3.20 -2.923036347e+00 -2.923036347e+00 3.22 -2.857932178e+00 -2.857932178e+00 3.24 -2.793225937e+00 -2.793225937e+00 3.26 -2.728939125e+00 -2.728939125e+00 3.28 -2.665092224e+00 -2.665092224e+00 3.30 -2.601706610e+00 -2.601706610e+00 3.32 -2.538805900e+00 -2.538805900e+00 3.34 -2.476416853e+00 -2.476416853e+00 3.36 -2.414569885e+00 -2.414569885e+00 3.38 -2.353299261e+00 -2.353299261e+00 3.40 -2.292643018e+00 -2.292643018e+00 3.42 -2.232642812e+00 -2.232642812e+00 3.44 -2.173343558e+00 -2.173343558e+00 3.46 -2.114793208e+00 -2.114793208e+00 3.48 -2.057042381e+00 -2.057042381e+00 3.50 -2.000143788e+00 -2.000143788e+00 3.52 -1.944151190e+00 -1.944151190e+00 3.54 -1.889117691e+00 -1.889117691e+00 3.56 -1.835093288e+00 -1.835093288e+00 3.58 -1.782121873e+00 -1.782121873e+00 3.60 -1.730238133e+00 -1.730238133e+00 3.62 -1.679464984e+00 -1.679464984e+00 3.64 -1.629812126e+00 -1.629812126e+00 3.66 -1.581276066e+00 -1.581276066e+00 3.68 -1.533841640e+00 -1.533841640e+00 3.70 -1.487484703e+00 -1.487484703e+00 3.72 -1.442175516e+00 -1.442175516e+00 3.74 -1.397882273e+00 -1.397882273e+00 3.76 -1.354574308e+00 -1.354574308e+00 3.78 -1.312224607e+00 -1.312224607e+00 3.80 -1.270811414e+00 -1.270811414e+00 3.82 -1.230318830e+00 -1.230318830e+00 3.84 -1.190736431e+00 -1.190736431e+00 3.86 -1.152058084e+00 -1.152058084e+00 3.88 -1.114280234e+00 -1.114280234e+00 3.90 -1.077400015e+00 -1.077400015e+00 3.92 -1.041413549e+00 -1.041413549e+00 3.94 -1.006314843e+00 -1.006314843e+00 3.96 -9.720951629e-01 -9.720951629e-01 3.98 -9.387433600e-01 -9.387433600e-01 4.00 -9.062466711e-01 -9.062466711e-01 4.02 -8.745919227e-01 -8.745919227e-01 4.04 -8.437668215e-01 -8.437668215e-01 4.06 -8.137610457e-01 -8.137610457e-01 4.08 -7.845668996e-01 -7.845668996e-01 4.10 -7.561793226e-01 -7.561793226e-01 4.12 -7.285955752e-01 -7.285955752e-01 4.14 -7.018137386e-01 -7.018137386e-01 4.16 -6.758315071e-01 -6.758315071e-01 4.18 -6.506445161e-01 -6.506445161e-01 4.20 -6.262449060e-01 -6.262449060e-01 4.22 -6.026202912e-01 -6.026202912e-01 4.24 -5.797533063e-01 -5.797533063e-01 4.26 -5.576217865e-01 -5.576217865e-01 4.28 -5.361995332e-01 -5.361995332e-01 4.30 -5.154575211e-01 -5.154575211e-01 4.32 -4.953653488e-01 -4.953653488e-01 4.34 -4.758927119e-01 -4.758927119e-01 4.36 -4.570107020e-01 -4.570107020e-01 4.38 -4.386927719e-01 -4.386927719e-01 4.40 -4.209152753e-01 -4.209152753e-01 4.42 -4.036575557e-01 -4.036575557e-01 4.44 -3.869016274e-01 -3.869016274e-01 4.46 -3.706315550e-01 -3.706315550e-01 4.48 -3.548326745e-01 -3.548326745e-01 4.50 -3.394908234e-01 -3.394908234e-01 4.52 -3.245917324e-01 -3.245917324e-01 4.54 -3.101207018e-01 -3.101207018e-01 4.56 -2.960626309e-01 -2.960626309e-01 4.58 -2.824024050e-01 -2.824024050e-01 4.60 -2.691255891e-01 -2.691255891e-01 4.62 -2.562193242e-01 -2.562193242e-01 4.64 -2.436732960e-01 -2.436732960e-01 4.66 -2.314806287e-01 -2.314806287e-01 4.68 -2.196385680e-01 -2.196385680e-01 4.70 -2.081488392e-01 -2.081488392e-01 4.72 -1.970176025e-01 -1.970176025e-01 4.74 -1.862549794e-01 -1.862549794e-01 4.76 -1.758741736e-01 -1.758741736e-01 4.78 -1.658902646e-01 -1.658902646e-01 4.80 -1.563187545e-01 -1.563187545e-01 4.82 -1.471742740e-01 -1.471742740e-01 4.84 -1.384689448e-01 -1.384689448e-01 4.86 -1.302114457e-01 -1.302114457e-01 4.88 -1.224061820e-01 -1.224061820e-01 4.90 -1.150528993e-01 -1.150528993e-01 4.92 -1.081466867e-01 -1.081466867e-01 4.94 -1.016783153e-01 -1.016783153e-01 4.96 -9.563482098e-02 -9.563482098e-02 4.98 -9.000022995e-02 -9.000022995e-02 5.00 -8.475632202e-02 -8.475632202e-02 5.02 -7.988334741e-02 -7.988334741e-02 5.04 -7.536047310e-02 -7.536047310e-02 5.06 -7.116654244e-02 -7.116654244e-02 5.08 -6.728057339e-02 -6.728057339e-02 5.10 -6.368166185e-02 -6.368166185e-02 5.12 -6.034918827e-02 -6.034918827e-02 5.14 -5.726296603e-02 -5.726296603e-02 5.16 -5.440331007e-02 -5.440331007e-02 5.18 -5.175110348e-02 -5.175110348e-02 5.20 -4.928823603e-02 -4.928823603e-02 5.22 -4.699740676e-02 -4.699740676e-02 5.24 -4.486219829e-02 -4.486219829e-02 5.26 -4.286716161e-02 -4.286716161e-02 5.28 -4.099787350e-02 -4.099787350e-02 5.30 -3.924096537e-02 -3.924096537e-02 5.32 -3.758412498e-02 -3.758412498e-02 5.34 -3.601607316e-02 -3.601607316e-02 5.36 -3.452652190e-02 -3.452652190e-02 5.38 -3.310611973e-02 -3.310611973e-02 5.40 -3.174638895e-02 -3.174638895e-02 5.42 -3.043966064e-02 -3.043966064e-02 5.44 -2.917901215e-02 -2.917901215e-02 5.46 -2.795821079e-02 -2.795821079e-02 5.48 -2.677166704e-02 -2.677166704e-02 5.50 -2.561439920e-02 -2.561439920e-02 5.52 -2.448201097e-02 -2.448201097e-02 5.54 -2.337068209e-02 -2.337068209e-02 5.56 -2.227717390e-02 -2.227717390e-02 5.58 -2.119884434e-02 -2.119884434e-02 5.60 -2.013367233e-02 -2.013367233e-02 5.62 -1.908028794e-02 -1.908028794e-02 5.64 -1.803800306e-02 -1.803800306e-02 5.66 -1.700683640e-02 -1.700683640e-02 5.68 -1.598752623e-02 -1.598752623e-02 5.70 -1.498152348e-02 -1.498152348e-02 5.72 -1.399095875e-02 -1.399095875e-02 5.74 -1.301857811e-02 -1.301857811e-02 5.76 -1.206764350e-02 -1.206764350e-02 5.78 -1.114173180e-02 -1.114173180e-02 5.80 -1.024470188e-02 -1.024470188e-02 5.82 -9.380506648e-03 -9.380506648e-03 5.84 -8.552951071e-03 -8.552951071e-03 5.86 -7.765508167e-03 -7.765508167e-03 5.88 -7.021154796e-03 -7.021154796e-03 5.90 -6.322239599e-03 -6.322239599e-03 5.92 -5.670392093e-03 -5.670392093e-03 5.94 -5.066477494e-03 -5.066477494e-03 5.96 -4.510597031e-03 -4.510597031e-03 5.98 -4.002129208e-03 -4.002129208e-03 6.00 -3.539804210e-03 -3.539804210e-03