# 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 = AgPtTa2 # 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 4.197390840e+02 4.197390840e+02 1.30 3.910804762e+02 3.910804762e+02 1.32 3.644596933e+02 3.644596933e+02 1.34 3.397276999e+02 3.397276999e+02 1.36 3.167380767e+02 3.167380767e+02 1.38 2.953462320e+02 2.953462320e+02 1.40 2.754125899e+02 2.754125899e+02 1.42 2.568081377e+02 2.568081377e+02 1.44 2.394192389e+02 2.394192389e+02 1.46 2.231497356e+02 2.231497356e+02 1.48 2.079200783e+02 2.079200783e+02 1.50 1.936641332e+02 1.936641332e+02 1.52 1.803246201e+02 1.803246201e+02 1.54 1.678483817e+02 1.678483817e+02 1.56 1.561828562e+02 1.561828562e+02 1.58 1.452746103e+02 1.452746103e+02 1.60 1.350697688e+02 1.350697688e+02 1.62 1.255155134e+02 1.255155134e+02 1.64 1.165618009e+02 1.165618009e+02 1.66 1.081627755e+02 1.081627755e+02 1.68 1.002776543e+02 1.002776543e+02 1.70 9.287096648e+01 9.287096648e+01 1.72 8.591199433e+01 8.591199433e+01 1.74 7.937339387e+01 7.937339387e+01 1.76 7.322941846e+01 7.322941846e+01 1.78 6.745455156e+01 6.745455156e+01 1.80 6.202311514e+01 6.202311514e+01 1.82 5.690973690e+01 5.690973690e+01 1.84 5.209014738e+01 5.209014738e+01 1.86 4.754443184e+01 4.754443184e+01 1.88 4.325920391e+01 4.325920391e+01 1.90 3.921684976e+01 3.921684976e+01 1.92 3.540403568e+01 3.540403568e+01 1.94 3.185367823e+01 3.185367823e+01 1.96 2.857219141e+01 2.857219141e+01 1.98 2.554567922e+01 2.554567922e+01 2.00 2.276063806e+01 2.276063806e+01 2.02 2.020321968e+01 2.020321968e+01 2.04 1.785885721e+01 1.785885721e+01 2.06 1.571232500e+01 1.571232500e+01 2.08 1.374812303e+01 1.374812303e+01 2.10 1.195099414e+01 1.195099414e+01 2.12 1.030639483e+01 1.030639483e+01 2.14 8.800820371e+00 8.800820371e+00 2.16 7.421972195e+00 7.421972195e+00 2.18 6.158802088e+00 6.158802088e+00 2.20 5.001472840e+00 5.001472840e+00 2.22 3.941262177e+00 3.941262177e+00 2.24 2.970428127e+00 2.970428127e+00 2.26 2.082052824e+00 2.082052824e+00 2.28 1.269882967e+00 1.269882967e+00 2.30 5.281845446e-01 5.281845446e-01 2.32 -1.483736554e-01 -1.483736554e-01 2.34 -7.647984695e-01 -7.647984695e-01 2.36 -1.325810597e+00 -1.325810597e+00 2.38 -1.835848585e+00 -1.835848585e+00 2.40 -2.299051626e+00 -2.299051626e+00 2.42 -2.719237770e+00 -2.719237770e+00 2.44 -3.099892904e+00 -3.099892904e+00 2.46 -3.444180306e+00 -3.444180306e+00 2.48 -3.754972545e+00 -3.754972545e+00 2.50 -4.034899029e+00 -4.034899029e+00 2.52 -4.286395941e+00 -4.286395941e+00 2.54 -4.511743696e+00 -4.511743696e+00 2.56 -4.712994844e+00 -4.712994844e+00 2.58 -4.892025933e+00 -4.892025933e+00 2.60 -5.050874292e+00 -5.050874292e+00 2.62 -5.191359260e+00 -5.191359260e+00 2.64 -5.315065261e+00 -5.315065261e+00 2.66 -5.423357360e+00 -5.423357360e+00 2.68 -5.517407004e+00 -5.517407004e+00 2.70 -5.598222264e+00 -5.598222264e+00 2.72 -5.666719966e+00 -5.666719966e+00 2.74 -5.724344883e+00 -5.724344883e+00 2.76 -5.771508513e+00 -5.771508513e+00 2.78 -5.808296418e+00 -5.808296418e+00 2.80 -5.834844491e+00 -5.834844491e+00 2.82 -5.851329378e+00 -5.851329378e+00 2.84 -5.857963448e+00 -5.857963448e+00 2.86 -5.854993950e+00 -5.854993950e+00 2.88 -5.842705618e+00 -5.842705618e+00 2.90 -5.821425412e+00 -5.821425412e+00 2.92 -5.791527358e+00 -5.791527358e+00 2.94 -5.753434958e+00 -5.753434958e+00 2.96 -5.707618573e+00 -5.707618573e+00 2.98 -5.654585987e+00 -5.654585987e+00 3.00 -5.594866078e+00 -5.594866078e+00 3.02 -5.528987653e+00 -5.528987653e+00 3.04 -5.457457314e+00 -5.457457314e+00 3.06 -5.380740833e+00 -5.380740833e+00 3.08 -5.299251553e+00 -5.299251553e+00 3.10 -5.213347594e+00 -5.213347594e+00 3.12 -5.123337560e+00 -5.123337560e+00 3.14 -5.029493100e+00 -5.029493100e+00 3.16 -4.932065928e+00 -4.932065928e+00 3.18 -4.831306898e+00 -4.831306898e+00 3.20 -4.727484780e+00 -4.727484780e+00 3.22 -4.620902636e+00 -4.620902636e+00 3.24 -4.511909914e+00 -4.511909914e+00 3.26 -4.400913886e+00 -4.400913886e+00 3.28 -4.288446367e+00 -4.288446367e+00 3.30 -4.174970526e+00 -4.174970526e+00 3.32 -4.060943315e+00 -4.060943315e+00 3.34 -3.946840256e+00 -3.946840256e+00 3.36 -3.833129226e+00 -3.833129226e+00 3.38 -3.720244172e+00 -3.720244172e+00 3.40 -3.608561656e+00 -3.608561656e+00 3.42 -3.498382696e+00 -3.498382696e+00 3.44 -3.389921555e+00 -3.389921555e+00 3.46 -3.283305805e+00 -3.283305805e+00 3.48 -3.178579521e+00 -3.178579521e+00 3.50 -3.075706541e+00 -3.075706541e+00 3.52 -2.974582790e+00 -2.974582790e+00 3.54 -2.875051305e+00 -2.875051305e+00 3.56 -2.776918527e+00 -2.776918527e+00 3.58 -2.680016147e+00 -2.680016147e+00 3.60 -2.584274680e+00 -2.584274680e+00 3.62 -2.489643529e+00 -2.489643529e+00 3.64 -2.396089453e+00 -2.396089453e+00 3.66 -2.303607980e+00 -2.303607980e+00 3.68 -2.212232069e+00 -2.212232069e+00 3.70 -2.122037709e+00 -2.122037709e+00 3.72 -2.033146122e+00 -2.033146122e+00 3.74 -1.945722321e+00 -1.945722321e+00 3.76 -1.859969934e+00 -1.859969934e+00 3.78 -1.776122464e+00 -1.776122464e+00 3.80 -1.694431532e+00 -1.694431532e+00 3.82 -1.615153007e+00 -1.615153007e+00 3.84 -1.538532218e+00 -1.538532218e+00 3.86 -1.464789645e+00 -1.464789645e+00 3.88 -1.394108422e+00 -1.394108422e+00 3.90 -1.326624791e+00 -1.326624791e+00 3.92 -1.262422244e+00 -1.262422244e+00 3.94 -1.201529622e+00 -1.201529622e+00 3.96 -1.143922980e+00 -1.143922980e+00 3.98 -1.089530667e+00 -1.089530667e+00 4.00 -1.038240796e+00 -1.038240796e+00 4.02 -9.899102299e-01 -9.899102299e-01 4.04 -9.443741756e-01 -9.443741756e-01 4.06 -9.014556562e-01 -9.014556562e-01 4.08 -8.609742175e-01 -8.609742175e-01 4.10 -8.227534158e-01 -8.227534158e-01 4.12 -7.866267941e-01 -7.866267941e-01 4.14 -7.524420690e-01 -7.524420690e-01 4.16 -7.200635685e-01 -7.200635685e-01 4.18 -6.893728755e-01 -6.893728755e-01 4.20 -6.602678854e-01 -6.602678854e-01 4.22 -6.326605715e-01 -6.326605715e-01 4.24 -6.064738653e-01 -6.064738653e-01 4.26 -5.816381258e-01 -5.816381258e-01 4.28 -5.580876721e-01 -5.580876721e-01 4.30 -5.357577856e-01 -5.357577856e-01 4.32 -5.145824625e-01 -5.145824625e-01 4.34 -4.944930429e-01 -4.944930429e-01 4.36 -4.754176940e-01 -4.754176940e-01 4.38 -4.572816103e-01 -4.572816103e-01 4.40 -4.400077309e-01 -4.400077309e-01 4.42 -4.235177569e-01 -4.235177569e-01 4.44 -4.077332801e-01 -4.077332801e-01 4.46 -3.925768749e-01 -3.925768749e-01 4.48 -3.779730873e-01 -3.779730873e-01 4.50 -3.638492553e-01 -3.638492553e-01 4.52 -3.501361683e-01 -3.501361683e-01 4.54 -3.367686458e-01 -3.367686458e-01 4.56 -3.236866749e-01 -3.236866749e-01 4.58 -3.108341048e-01 -3.108341048e-01 4.60 -2.981599010e-01 -2.981599010e-01 4.62 -2.856197386e-01 -2.856197386e-01 4.64 -2.731759340e-01 -2.731759340e-01 4.66 -2.607981070e-01 -2.607981070e-01 4.68 -2.484639458e-01 -2.484639458e-01 4.70 -2.361599725e-01 -2.361599725e-01 4.72 -2.238822318e-01 -2.238822318e-01 4.74 -2.116368058e-01 -2.116368058e-01 4.76 -1.994400440e-01 -1.994400440e-01 4.78 -1.873184001e-01 -1.873184001e-01 4.80 -1.753077881e-01 -1.753077881e-01 4.82 -1.634524108e-01 -1.634524108e-01 4.84 -1.518030532e-01 -1.518030532e-01 4.86 -1.404149276e-01 -1.404149276e-01 4.88 -1.293451873e-01 -1.293451873e-01 4.90 -1.186502950e-01 -1.186502950e-01 4.92 -1.083834503e-01 -1.083834503e-01 4.94 -9.859227778e-02 -9.859227778e-02 4.96 -8.931694309e-02 -8.931694309e-02 4.98 -8.058880898e-02 -8.058880898e-02 5.00 -7.242967812e-02 -7.242967812e-02 5.02 -6.485160638e-02 -6.485160638e-02 5.04 -5.785721975e-02 -5.785721975e-02 5.06 -5.144043604e-02 -5.144043604e-02 5.08 -4.558747959e-02 -4.558747959e-02 5.10 -4.027806222e-02 -4.027806222e-02 5.12 -3.548666853e-02 -3.548666853e-02 5.14 -3.118383238e-02 -3.118383238e-02 5.16 -2.733736212e-02 -2.733736212e-02 5.18 -2.391343524e-02 -2.391343524e-02 5.20 -2.087756909e-02 -2.087756909e-02 5.22 -1.819545119e-02 -1.819545119e-02 5.24 -1.583335200e-02 -1.583335200e-02 5.26 -1.375903689e-02 -1.375903689e-02 5.28 -1.194249621e-02 -1.194249621e-02 5.30 -1.035558939e-02 -1.035558939e-02 5.32 -8.972255522e-03 -8.972255522e-03 5.34 -7.768619185e-03 -7.768619185e-03 5.36 -6.723008761e-03 -6.723008761e-03 5.38 -5.815909176e-03 -5.815909176e-03 5.40 -5.029867778e-03 -5.029867778e-03 5.42 -4.349368904e-03 -4.349368904e-03 5.44 -3.760689581e-03 -3.760689581e-03 5.46 -3.251746108e-03 -3.251746108e-03 5.48 -2.811938790e-03 -2.811938790e-03 5.50 -2.432000127e-03 -2.432000127e-03 5.52 -2.103850080e-03 -2.103850080e-03 5.54 -1.820460714e-03 -1.820460714e-03 5.56 -1.575731544e-03 -1.575731544e-03 5.58 -1.364376111e-03 -1.364376111e-03 5.60 -1.181819835e-03 -1.181819835e-03 5.62 -1.024108740e-03 -1.024108740e-03 5.64 -8.878284864e-04 -8.878284864e-04 5.66 -7.700329224e-04 -7.700329224e-04 5.68 -6.681813590e-04 -6.681813590e-04 5.70 -5.800837111e-04 -5.800837111e-04 5.72 -5.038526827e-04 -5.038526827e-04 5.74 -4.378622078e-04 -4.378622078e-04 5.76 -3.807114140e-04 -3.807114140e-04 5.78 -3.311934344e-04 -3.311934344e-04 5.80 -2.882684609e-04 -2.882684609e-04 5.82 -2.510404915e-04 -2.510404915e-04 5.84 -2.187372875e-04 -2.187372875e-04 5.86 -1.906931114e-04 -1.906931114e-04 5.88 -1.663338708e-04 -1.663338708e-04 5.90 -1.451643386e-04 -1.451643386e-04 5.92 -1.267571635e-04 -1.267571635e-04 5.94 -1.107434227e-04 -1.107434227e-04 5.96 -9.680450084e-05 -9.680450084e-05 5.98 -8.466511007e-05 -8.466511007e-05 6.00 -7.408729020e-05 -7.408729020e-05