# 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 = AlPbW2 # 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 3.877077799e+02 3.877077799e+02 1.30 3.609036997e+02 3.609036997e+02 1.32 3.360314460e+02 3.360314460e+02 1.34 3.129298067e+02 3.129298067e+02 1.36 2.914558469e+02 2.914558469e+02 1.38 2.714834827e+02 2.714834827e+02 1.40 2.529014253e+02 2.529014253e+02 1.42 2.356097576e+02 2.356097576e+02 1.44 2.195161021e+02 2.195161021e+02 1.46 2.045328377e+02 2.045328377e+02 1.48 1.905762538e+02 1.905762538e+02 1.50 1.775675244e+02 1.775675244e+02 1.52 1.654343458e+02 1.654343458e+02 1.54 1.541118212e+02 1.541118212e+02 1.56 1.435420608e+02 1.435420608e+02 1.58 1.336729702e+02 1.336729702e+02 1.60 1.244568259e+02 1.244568259e+02 1.62 1.158490354e+02 1.158490354e+02 1.64 1.078072228e+02 1.078072228e+02 1.66 1.002907794e+02 1.002907794e+02 1.68 9.326091222e+01 9.326091222e+01 1.70 8.668113660e+01 8.668113660e+01 1.72 8.051795792e+01 8.051795792e+01 1.74 7.474146292e+01 7.474146292e+01 1.76 6.932563147e+01 6.932563147e+01 1.78 6.424829008e+01 6.424829008e+01 1.80 5.949066793e+01 5.949066793e+01 1.82 5.503685683e+01 5.503685683e+01 1.84 5.087333616e+01 5.087333616e+01 1.86 4.698618640e+01 4.698618640e+01 1.88 4.336130454e+01 4.336130454e+01 1.90 3.998518861e+01 3.998518861e+01 1.92 3.684933355e+01 3.684933355e+01 1.94 3.394022511e+01 3.394022511e+01 1.96 3.124187978e+01 3.124187978e+01 1.98 2.873862503e+01 2.873862503e+01 2.00 2.641533128e+01 2.641533128e+01 2.02 2.425758290e+01 2.425758290e+01 2.04 2.225183505e+01 2.225183505e+01 2.06 2.038550060e+01 2.038550060e+01 2.08 1.864695127e+01 1.864695127e+01 2.10 1.702546987e+01 1.702546987e+01 2.12 1.551121145e+01 1.551121145e+01 2.14 1.409519716e+01 1.409519716e+01 2.16 1.276934093e+01 1.276934093e+01 2.18 1.152647785e+01 1.152647785e+01 2.20 1.036035751e+01 1.036035751e+01 2.22 9.265590738e+00 9.265590738e+00 2.24 8.237547447e+00 8.237547447e+00 2.26 7.272225703e+00 7.272225703e+00 2.28 6.366113342e+00 6.366113342e+00 2.30 5.516065293e+00 5.516065293e+00 2.32 4.719198188e+00 4.719198188e+00 2.34 3.972823397e+00 3.972823397e+00 2.36 3.274394648e+00 3.274394648e+00 2.38 2.621481907e+00 2.621481907e+00 2.40 2.011759205e+00 2.011759205e+00 2.42 1.443003305e+00 1.443003305e+00 2.44 9.130965955e-01 9.130965955e-01 2.46 4.200653892e-01 4.200653892e-01 2.48 -3.785163839e-02 -3.785163839e-02 2.50 -4.625706012e-01 -4.625706012e-01 2.52 -8.559390572e-01 -8.559390572e-01 2.54 -1.219719522e+00 -1.219719522e+00 2.56 -1.555612297e+00 -1.555612297e+00 2.58 -1.865269054e+00 -1.865269054e+00 2.60 -2.150292260e+00 -2.150292260e+00 2.62 -2.412211679e+00 -2.412211679e+00 2.64 -2.652178846e+00 -2.652178846e+00 2.66 -2.870919303e+00 -2.870919303e+00 2.68 -3.069137902e+00 -3.069137902e+00 2.70 -3.247530479e+00 -3.247530479e+00 2.72 -3.406778658e+00 -3.406778658e+00 2.74 -3.547553304e+00 -3.547553304e+00 2.76 -3.670522084e+00 -3.670522084e+00 2.78 -3.776357518e+00 -3.776357518e+00 2.80 -3.865743832e+00 -3.865743832e+00 2.82 -3.939382986e+00 -3.939382986e+00 2.84 -3.998000830e+00 -3.998000830e+00 2.86 -4.042354751e+00 -4.042354751e+00 2.88 -4.073243111e+00 -4.073243111e+00 2.90 -4.091515732e+00 -4.091515732e+00 2.92 -4.098083586e+00 -4.098083586e+00 2.94 -4.093925023e+00 -4.093925023e+00 2.96 -4.080085641e+00 -4.080085641e+00 2.98 -4.057669362e+00 -4.057669362e+00 3.00 -4.028207320e+00 -4.028207320e+00 3.02 -3.993350245e+00 -3.993350245e+00 3.04 -3.953903645e+00 -3.953903645e+00 3.06 -3.910637365e+00 -3.910637365e+00 3.08 -3.864260631e+00 -3.864260631e+00 3.10 -3.815391302e+00 -3.815391302e+00 3.12 -3.764532150e+00 -3.764532150e+00 3.14 -3.712065778e+00 -3.712065778e+00 3.16 -3.658265120e+00 -3.658265120e+00 3.18 -3.603294861e+00 -3.603294861e+00 3.20 -3.547210467e+00 -3.547210467e+00 3.22 -3.489976476e+00 -3.489976476e+00 3.24 -3.431486641e+00 -3.431486641e+00 3.26 -3.371584748e+00 -3.371584748e+00 3.28 -3.310085687e+00 -3.310085687e+00 3.30 -3.246796626e+00 -3.246796626e+00 3.32 -3.181538075e+00 -3.181538075e+00 3.34 -3.114164359e+00 -3.114164359e+00 3.36 -3.044582696e+00 -3.044582696e+00 3.38 -2.972802730e+00 -2.972802730e+00 3.40 -2.898908830e+00 -2.898908830e+00 3.42 -2.822892885e+00 -2.822892885e+00 3.44 -2.744868001e+00 -2.744868001e+00 3.46 -2.665080446e+00 -2.665080446e+00 3.48 -2.583863501e+00 -2.583863501e+00 3.50 -2.501597082e+00 -2.501597082e+00 3.52 -2.418756076e+00 -2.418756076e+00 3.54 -2.335884342e+00 -2.335884342e+00 3.56 -2.253556372e+00 -2.253556372e+00 3.58 -2.172339739e+00 -2.172339739e+00 3.60 -2.092762123e+00 -2.092762123e+00 3.62 -2.015285645e+00 -2.015285645e+00 3.64 -1.940289995e+00 -1.940289995e+00 3.66 -1.868064407e+00 -1.868064407e+00 3.68 -1.798807478e+00 -1.798807478e+00 3.70 -1.732633063e+00 -1.732633063e+00 3.72 -1.669580244e+00 -1.669580244e+00 3.74 -1.609625413e+00 -1.609625413e+00 3.76 -1.552694906e+00 -1.552694906e+00 3.78 -1.498677043e+00 -1.498677043e+00 3.80 -1.447432914e+00 -1.447432914e+00 3.82 -1.398805614e+00 -1.398805614e+00 3.84 -1.352627873e+00 -1.352627873e+00 3.86 -1.308728202e+00 -1.308728202e+00 3.88 -1.266935696e+00 -1.266935696e+00 3.90 -1.227083659e+00 -1.227083659e+00 3.92 -1.189011819e+00 -1.189011819e+00 3.94 -1.152569788e+00 -1.152569788e+00 3.96 -1.117615435e+00 -1.117615435e+00 3.98 -1.084017264e+00 -1.084017264e+00 4.00 -1.051653992e+00 -1.051653992e+00 4.02 -1.020414364e+00 -1.020414364e+00 4.04 -9.901968095e-01 -9.901968095e-01 4.06 -9.609090754e-01 -9.609090754e-01 4.08 -9.324679027e-01 -9.324679027e-01 4.10 -9.047974038e-01 -9.047974038e-01 4.12 -8.778349568e-01 -8.778349568e-01 4.14 -8.515219754e-01 -8.515219754e-01 4.16 -8.258107389e-01 -8.258107389e-01 4.18 -8.006630037e-01 -8.006630037e-01 4.20 -7.760503505e-01 -7.760503505e-01 4.22 -7.519544051e-01 -7.519544051e-01 4.24 -7.283667923e-01 -7.283667923e-01 4.26 -7.052886841e-01 -7.052886841e-01 4.28 -6.827298295e-01 -6.827298295e-01 4.30 -6.607070156e-01 -6.607070156e-01 4.32 -6.392419852e-01 -6.392419852e-01 4.34 -6.183589368e-01 -6.183589368e-01 4.36 -5.980818125e-01 -5.980818125e-01 4.38 -5.784316340e-01 -5.784316340e-01 4.40 -5.594241561e-01 -5.594241561e-01 4.42 -5.410680636e-01 -5.410680636e-01 4.44 -5.233638520e-01 -5.233638520e-01 4.46 -5.063034353e-01 -5.063034353e-01 4.48 -4.898704220e-01 -4.898704220e-01 4.50 -4.740409188e-01 -4.740409188e-01 4.52 -4.587847113e-01 -4.587847113e-01 4.54 -4.440666346e-01 -4.440666346e-01 4.56 -4.298479673e-01 -4.298479673e-01 4.58 -4.160877502e-01 -4.160877502e-01 4.60 -4.027439623e-01 -4.027439623e-01 4.62 -3.897742077e-01 -3.897742077e-01 4.64 -3.771366869e-01 -3.771366869e-01 4.66 -3.647921606e-01 -3.647921606e-01 4.68 -3.527030977e-01 -3.527030977e-01 4.70 -3.408342515e-01 -3.408342515e-01 4.72 -3.291532325e-01 -3.291532325e-01 4.74 -3.176310385e-01 -3.176310385e-01 4.76 -3.062425772e-01 -3.062425772e-01 4.78 -2.949671986e-01 -2.949671986e-01 4.80 -2.837884329e-01 -2.837884329e-01 4.82 -2.726978516e-01 -2.726978516e-01 4.84 -2.616903175e-01 -2.616903175e-01 4.86 -2.507679814e-01 -2.507679814e-01 4.88 -2.399395086e-01 -2.399395086e-01 4.90 -2.292200201e-01 -2.292200201e-01 4.92 -2.186307334e-01 -2.186307334e-01 4.94 -2.081982693e-01 -2.081982693e-01 4.96 -1.979536166e-01 -1.979536166e-01 4.98 -1.879307892e-01 -1.879307892e-01 5.00 -1.781652465e-01 -1.781652465e-01 5.02 -1.686921884e-01 -1.686921884e-01 5.04 -1.595448542e-01 -1.595448542e-01 5.06 -1.507529632e-01 -1.507529632e-01 5.08 -1.423414201e-01 -1.423414201e-01 5.10 -1.343293797e-01 -1.343293797e-01 5.12 -1.267297196e-01 -1.267297196e-01 5.14 -1.195489235e-01 -1.195489235e-01 5.16 -1.127873381e-01 -1.127873381e-01 5.18 -1.064397316e-01 -1.064397316e-01 5.20 -1.004960643e-01 -1.004960643e-01 5.22 -9.494237877e-02 -9.494237877e-02 5.24 -8.976172064e-02 -8.976172064e-02 5.26 -8.493500413e-02 -8.493500413e-02 5.28 -8.044173744e-02 -8.044173744e-02 5.30 -7.626090841e-02 -7.626090841e-02 5.32 -7.237141637e-02 -7.237141637e-02 5.34 -6.875245790e-02 -6.875245790e-02 5.36 -6.538382421e-02 -6.538382421e-02 5.38 -6.224610254e-02 -6.224610254e-02 5.40 -5.932080197e-02 -5.932080197e-02 5.42 -5.659042334e-02 -5.659042334e-02 5.44 -5.403848982e-02 -5.403848982e-02 5.46 -5.164955113e-02 -5.164955113e-02 5.48 -4.940917084e-02 -4.940917084e-02 5.50 -4.730390297e-02 -4.730390297e-02 5.52 -4.532126167e-02 -4.532126167e-02 5.54 -4.344968616e-02 -4.344968616e-02 5.56 -4.167850218e-02 -4.167850218e-02 5.58 -3.999788079e-02 -3.999788079e-02 5.60 -3.839879510e-02 -3.839879510e-02 5.62 -3.687297590e-02 -3.687297590e-02 5.64 -3.541286703e-02 -3.541286703e-02 5.66 -3.401158131e-02 -3.401158131e-02 5.68 -3.266285849e-02 -3.266285849e-02 5.70 -3.136102611e-02 -3.136102611e-02 5.72 -3.010096405e-02 -3.010096405e-02 5.74 -2.887807368e-02 -2.887807368e-02 5.76 -2.768825212e-02 -2.768825212e-02 5.78 -2.652787185e-02 -2.652787185e-02 5.80 -2.539376569e-02 -2.539376569e-02 5.82 -2.428321681e-02 -2.428321681e-02 5.84 -2.319395301e-02 -2.319395301e-02 5.86 -2.212414445e-02 -2.212414445e-02 5.88 -2.107240315e-02 -2.107240315e-02 5.90 -2.003778287e-02 -2.003778287e-02 5.92 -1.901977718e-02 -1.901977718e-02 5.94 -1.801830790e-02 -1.801830790e-02 5.96 -1.703364394e-02 -1.703364394e-02 5.98 -1.606653021e-02 -1.606653021e-02 6.00 -1.511811420e-02 -1.511811420e-02