# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNi2Pd # 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 nan nan 0.98 6.411089179e+02 6.411089179e+02 1.00 5.817072884e+02 5.817072884e+02 1.02 5.281331527e+02 5.281331527e+02 1.04 4.798016910e+02 4.798016910e+02 1.06 4.361879052e+02 4.361879052e+02 1.08 3.968155670e+02 3.968155670e+02 1.10 3.612638134e+02 3.612638134e+02 1.12 3.291437438e+02 3.291437438e+02 1.14 3.001100015e+02 3.001100015e+02 1.16 2.738561534e+02 2.738561534e+02 1.18 2.501027842e+02 2.501027842e+02 1.20 2.285985115e+02 2.285985115e+02 1.22 2.091149080e+02 2.091149080e+02 1.24 1.914519078e+02 1.914519078e+02 1.26 1.754247938e+02 1.754247938e+02 1.28 1.608688010e+02 1.608688010e+02 1.30 1.476372955e+02 1.476372955e+02 1.32 1.355974099e+02 1.355974099e+02 1.34 1.246295935e+02 1.246295935e+02 1.36 1.146287067e+02 1.146287067e+02 1.38 1.054993901e+02 1.054993901e+02 1.40 9.715381922e+01 9.715381922e+01 1.42 8.951667516e+01 8.951667516e+01 1.44 8.252021749e+01 8.252021749e+01 1.46 7.610248750e+01 7.610248750e+01 1.48 7.020741254e+01 7.020741254e+01 1.50 6.478605407e+01 6.478605407e+01 1.52 5.979492586e+01 5.979492586e+01 1.54 5.519448568e+01 5.519448568e+01 1.56 5.094843533e+01 5.094843533e+01 1.58 4.702477496e+01 4.702477496e+01 1.60 4.339596509e+01 4.339596509e+01 1.62 4.003684309e+01 4.003684309e+01 1.64 3.692320052e+01 3.692320052e+01 1.66 3.403479826e+01 3.403479826e+01 1.68 3.135316510e+01 3.135316510e+01 1.70 2.886116289e+01 2.886116289e+01 1.72 2.654221071e+01 2.654221071e+01 1.74 2.438461103e+01 2.438461103e+01 1.76 2.237588508e+01 2.237588508e+01 1.78 2.050410300e+01 2.050410300e+01 1.80 1.876084628e+01 1.876084628e+01 1.82 1.713449752e+01 1.713449752e+01 1.84 1.562125535e+01 1.562125535e+01 1.86 1.416268180e+01 1.416268180e+01 1.88 1.280687367e+01 1.280687367e+01 1.90 1.151902300e+01 1.151902300e+01 1.92 1.029834096e+01 1.029834096e+01 1.94 9.143441796e+00 9.143441796e+00 1.96 8.052813866e+00 8.052813866e+00 1.98 7.024903055e+00 7.024903055e+00 2.00 6.057992976e+00 6.057992976e+00 2.02 5.150263093e+00 5.150263093e+00 2.04 4.299792920e+00 4.299792920e+00 2.06 3.504602880e+00 3.504602880e+00 2.08 2.762589115e+00 2.762589115e+00 2.10 2.071772467e+00 2.071772467e+00 2.12 1.430557340e+00 1.430557340e+00 2.14 8.359573285e-01 8.359573285e-01 2.16 2.860025577e-01 2.860025577e-01 2.18 -2.213639396e-01 -2.213639396e-01 2.20 -6.881492490e-01 -6.881492490e-01 2.22 -1.116473505e+00 -1.116473505e+00 2.24 -1.508204687e+00 -1.508204687e+00 2.26 -1.865220190e+00 -1.865220190e+00 2.28 -2.189396112e+00 -2.189396112e+00 2.30 -2.482570996e+00 -2.482570996e+00 2.32 -2.746547871e+00 -2.746547871e+00 2.34 -2.982760412e+00 -2.982760412e+00 2.36 -3.192816822e+00 -3.192816822e+00 2.38 -3.378539456e+00 -3.378539456e+00 2.40 -3.541281568e+00 -3.541281568e+00 2.42 -3.683161806e+00 -3.683161806e+00 2.44 -3.805214267e+00 -3.805214267e+00 2.46 -3.908799884e+00 -3.908799884e+00 2.48 -3.995227754e+00 -3.995227754e+00 2.50 -4.065748941e+00 -4.065748941e+00 2.52 -4.122151986e+00 -4.122151986e+00 2.54 -4.165316959e+00 -4.165316959e+00 2.56 -4.196013858e+00 -4.196013858e+00 2.58 -4.215251093e+00 -4.215251093e+00 2.60 -4.223983604e+00 -4.223983604e+00 2.62 -4.223051881e+00 -4.223051881e+00 2.64 -4.213191322e+00 -4.213191322e+00 2.66 -4.195300162e+00 -4.195300162e+00 2.68 -4.170295149e+00 -4.170295149e+00 2.70 -4.138808018e+00 -4.138808018e+00 2.72 -4.101496443e+00 -4.101496443e+00 2.74 -4.058384858e+00 -4.058384858e+00 2.76 -4.010299161e+00 -4.010299161e+00 2.78 -3.958409460e+00 -3.958409460e+00 2.80 -3.903135949e+00 -3.903135949e+00 2.82 -3.844717303e+00 -3.844717303e+00 2.84 -3.783573331e+00 -3.783573331e+00 2.86 -3.720091723e+00 -3.720091723e+00 2.88 -3.654629392e+00 -3.654629392e+00 2.90 -3.587528438e+00 -3.587528438e+00 2.92 -3.519229520e+00 -3.519229520e+00 2.94 -3.449859168e+00 -3.449859168e+00 2.96 -3.380255102e+00 -3.380255102e+00 2.98 -3.309665857e+00 -3.309665857e+00 3.00 -3.237832172e+00 -3.237832172e+00 3.02 -3.165846252e+00 -3.165846252e+00 3.04 -3.093865125e+00 -3.093865125e+00 3.06 -3.022044307e+00 -3.022044307e+00 3.08 -2.950521754e+00 -2.950521754e+00 3.10 -2.879420961e+00 -2.879420961e+00 3.12 -2.808852144e+00 -2.808852144e+00 3.14 -2.738913303e+00 -2.738913303e+00 3.16 -2.669691220e+00 -2.669691220e+00 3.18 -2.601262377e+00 -2.601262377e+00 3.20 -2.533693827e+00 -2.533693827e+00 3.22 -2.467043975e+00 -2.467043975e+00 3.24 -2.401357415e+00 -2.401357415e+00 3.26 -2.336990074e+00 -2.336990074e+00 3.28 -2.273759768e+00 -2.273759768e+00 3.30 -2.211589238e+00 -2.211589238e+00 3.32 -2.150504832e+00 -2.150504832e+00 3.34 -2.090527770e+00 -2.090527770e+00 3.36 -2.031675401e+00 -2.031675401e+00 3.38 -1.973956019e+00 -1.973956019e+00 3.40 -1.917397452e+00 -1.917397452e+00 3.42 -1.862226103e+00 -1.862226103e+00 3.44 -1.808160142e+00 -1.808160142e+00 3.46 -1.754995739e+00 -1.754995739e+00 3.48 -1.702788124e+00 -1.702788124e+00 3.50 -1.651722387e+00 -1.651722387e+00 3.52 -1.601823026e+00 -1.601823026e+00 3.54 -1.553007479e+00 -1.553007479e+00 3.56 -1.505219555e+00 -1.505219555e+00 3.58 -1.458469551e+00 -1.458469551e+00 3.60 -1.412787879e+00 -1.412787879e+00 3.62 -1.368189184e+00 -1.368189184e+00 3.64 -1.324664518e+00 -1.324664518e+00 3.66 -1.282211033e+00 -1.282211033e+00 3.68 -1.240820395e+00 -1.240820395e+00 3.70 -1.200457735e+00 -1.200457735e+00 3.72 -1.161108423e+00 -1.161108423e+00 3.74 -1.122769626e+00 -1.122769626e+00 3.76 -1.085423870e+00 -1.085423870e+00 3.78 -1.049050086e+00 -1.049050086e+00 3.80 -1.013544439e+00 -1.013544439e+00 3.82 -9.789237723e-01 -9.789237723e-01 3.84 -9.452257382e-01 -9.452257382e-01 3.86 -9.124644543e-01 -9.124644543e-01 3.88 -8.806689101e-01 -8.806689101e-01 3.90 -8.498584549e-01 -8.498584549e-01 3.92 -8.200826233e-01 -8.200826233e-01 3.94 -7.913686007e-01 -7.913686007e-01 3.96 -7.633963457e-01 -7.633963457e-01 3.98 -7.360522311e-01 -7.360522311e-01 4.00 -7.093067099e-01 -7.093067099e-01 4.02 -6.831460533e-01 -6.831460533e-01 4.04 -6.575677575e-01 -6.575677575e-01 4.06 -6.325769270e-01 -6.325769270e-01 4.08 -6.081834395e-01 -6.081834395e-01 4.10 -5.844795233e-01 -5.844795233e-01 4.12 -5.614999895e-01 -5.614999895e-01 4.14 -5.390006460e-01 -5.390006460e-01 4.16 -5.169418554e-01 -5.169418554e-01 4.18 -4.959156520e-01 -4.959156520e-01 4.20 -4.751795449e-01 -4.751795449e-01 4.22 -4.547529404e-01 -4.547529404e-01 4.24 -4.346432697e-01 -4.346432697e-01 4.26 -4.148611010e-01 -4.148611010e-01 4.28 -3.954188845e-01 -3.954188845e-01 4.30 -3.763301789e-01 -3.763301789e-01 4.32 -3.576090083e-01 -3.576090083e-01 4.34 -3.392691437e-01 -3.392691437e-01 4.36 -3.212678052e-01 -3.212678052e-01 4.38 -3.036331705e-01 -3.036331705e-01 4.40 -2.864472297e-01 -2.864472297e-01 4.42 -2.697718811e-01 -2.697718811e-01 4.44 -2.536522974e-01 -2.536522974e-01 4.46 -2.381197949e-01 -2.381197949e-01 4.48 -2.231942743e-01 -2.231942743e-01 4.50 -2.088862857e-01 -2.088862857e-01 4.52 -1.951987743e-01 -1.951987743e-01 4.54 -1.821285560e-01 -1.821285560e-01 4.56 -1.696674545e-01 -1.696674545e-01 4.58 -1.577944728e-01 -1.577944728e-01 4.60 -1.467526728e-01 -1.467526728e-01 4.62 -1.364975453e-01 -1.364975453e-01 4.64 -1.267507371e-01 -1.267507371e-01 4.66 -1.175030681e-01 -1.175030681e-01 4.68 -1.087356762e-01 -1.087356762e-01 4.70 -1.004291927e-01 -1.004291927e-01 4.72 -9.256404394e-02 -9.256404394e-02 4.74 -8.512066925e-02 -8.512066925e-02 4.76 -7.807969465e-02 -7.807969465e-02 4.78 -7.142768018e-02 -7.142768018e-02 4.80 -6.514804092e-02 -6.514804092e-02 4.82 -6.065977562e-02 -6.065977562e-02 4.84 -5.647060584e-02 -5.647060584e-02 4.86 -5.250917909e-02 -5.250917909e-02 4.88 -4.876437799e-02 -4.876437799e-02 4.90 -4.522533362e-02 -4.522533362e-02 4.92 -4.188156092e-02 -4.188156092e-02 4.94 -3.872297498e-02 -3.872297498e-02 4.96 -3.573990002e-02 -3.573990002e-02 4.98 -3.292307292e-02 -3.292307292e-02 5.00 -3.026364218e-02 -3.026364218e-02 5.02 -2.775316377e-02 -2.775316377e-02 5.04 -2.538359388e-02 -2.538359388e-02 5.06 -2.314727902e-02 -2.314727902e-02 5.08 -2.103694494e-02 -2.103694494e-02 5.10 -1.904568433e-02 -1.904568433e-02 5.12 -1.716694378e-02 -1.716694378e-02 5.14 -1.539450993e-02 -1.539450993e-02 5.16 -1.372249536e-02 -1.372249536e-02 5.18 -1.214532445e-02 -1.214532445e-02 5.20 -1.065771933e-02 -1.065771933e-02 5.22 -9.254686092e-03 -9.254686092e-03 5.24 -7.931500916e-03 -7.931500916e-03 5.26 -6.683680585e-03 -6.683680585e-03 5.28 -5.508057517e-03 -5.508057517e-03 5.30 -4.423516129e-03 -4.423516129e-03 5.32 -3.911517528e-03 -3.911517528e-03 5.34 -3.446555139e-03 -3.446555139e-03 5.36 -3.013261548e-03 -3.013261548e-03 5.38 -2.605943933e-03 -2.605943933e-03 5.40 -2.223090856e-03 -2.223090856e-03 5.42 -1.863276157e-03 -1.863276157e-03 5.44 -1.525154266e-03 -1.525154266e-03 5.46 -1.207455783e-03 -1.207455783e-03 5.48 -9.089833086e-04 -9.089833086e-04 5.50 -6.286075030e-04 -6.286075030e-04 5.52 -3.652632973e-04 -3.652632973e-04 5.54 -1.163588219e-04 -1.163588219e-04 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 0.000000000e+00 5.70 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