# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Br2FId # 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 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 9.895123035e+02 nan 1.28 9.342745711e+02 9.342745711e+02 1.30 8.825824771e+02 8.825824771e+02 1.32 8.341729026e+02 8.341729026e+02 1.34 7.888063398e+02 7.888063398e+02 1.36 7.462576650e+02 7.462576650e+02 1.38 7.063220916e+02 7.063220916e+02 1.40 6.688140334e+02 6.688140334e+02 1.42 6.335555219e+02 6.335555219e+02 1.44 6.003903375e+02 6.003903375e+02 1.46 5.691727414e+02 5.691727414e+02 1.48 5.397710478e+02 5.397710478e+02 1.50 5.120635698e+02 5.120635698e+02 1.52 4.859356622e+02 4.859356622e+02 1.54 4.612858683e+02 4.612858683e+02 1.56 4.380179846e+02 4.380179846e+02 1.58 4.160412544e+02 4.160412544e+02 1.60 3.952746321e+02 3.952746321e+02 1.62 3.756384819e+02 3.756384819e+02 1.64 3.570680054e+02 3.570680054e+02 1.66 3.394946517e+02 3.394946517e+02 1.68 3.228566817e+02 3.228566817e+02 1.70 3.070964019e+02 3.070964019e+02 1.72 2.921587893e+02 2.921587893e+02 1.74 2.779945483e+02 2.779945483e+02 1.76 2.645595403e+02 2.645595403e+02 1.78 2.518122797e+02 2.518122797e+02 1.80 2.397128618e+02 2.397128618e+02 1.82 2.282248672e+02 2.282248672e+02 1.84 2.173152820e+02 2.173152820e+02 1.86 2.069526832e+02 2.069526832e+02 1.88 1.971081608e+02 1.971081608e+02 1.90 1.877522691e+02 1.877522691e+02 1.92 1.788629791e+02 1.788629791e+02 1.94 1.704153550e+02 1.704153550e+02 1.96 1.623872749e+02 1.623872749e+02 1.98 1.547569270e+02 1.547569270e+02 2.00 1.475023968e+02 1.475023968e+02 2.02 1.406044918e+02 1.406044918e+02 2.04 1.340445161e+02 1.340445161e+02 2.06 1.278042990e+02 1.278042990e+02 2.08 1.218661557e+02 1.218661557e+02 2.10 1.162125206e+02 1.162125206e+02 2.12 1.108293356e+02 1.108293356e+02 2.14 1.057016778e+02 1.057016778e+02 2.16 1.008150676e+02 1.008150676e+02 2.18 9.615707774e+01 9.615707774e+01 2.20 9.171552918e+01 9.171552918e+01 2.22 8.747869827e+01 8.747869827e+01 2.24 8.343566636e+01 8.343566636e+01 2.26 7.957608853e+01 7.957608853e+01 2.28 7.589075334e+01 7.589075334e+01 2.30 7.237089212e+01 7.237089212e+01 2.32 6.900832855e+01 6.900832855e+01 2.34 6.579546921e+01 6.579546921e+01 2.36 6.272525649e+01 6.272525649e+01 2.38 5.979035774e+01 5.979035774e+01 2.40 5.698547265e+01 5.698547265e+01 2.42 5.430510037e+01 5.430510037e+01 2.44 5.174335124e+01 5.174335124e+01 2.46 4.929547509e+01 4.929547509e+01 2.48 4.695693132e+01 4.695693132e+01 2.50 4.472311815e+01 4.472311815e+01 2.52 4.258967892e+01 4.258967892e+01 2.54 4.055246953e+01 4.055246953e+01 2.56 3.860746133e+01 3.860746133e+01 2.58 3.675035932e+01 3.675035932e+01 2.60 3.497741818e+01 3.497741818e+01 2.62 3.328588379e+01 3.328588379e+01 2.64 3.167262467e+01 3.167262467e+01 2.66 3.013420474e+01 3.013420474e+01 2.68 2.866673949e+01 2.866673949e+01 2.70 2.726783651e+01 2.726783651e+01 2.72 2.593436271e+01 2.593436271e+01 2.74 2.466330081e+01 2.466330081e+01 2.76 2.345174425e+01 2.345174425e+01 2.78 2.229689383e+01 2.229689383e+01 2.80 2.119605563e+01 2.119605563e+01 2.82 2.014662815e+01 2.014662815e+01 2.84 1.914551031e+01 1.914551031e+01 2.86 1.819115053e+01 1.819115053e+01 2.88 1.728121581e+01 1.728121581e+01 2.90 1.641348799e+01 1.641348799e+01 2.92 1.558585953e+01 1.558585953e+01 2.94 1.479633017e+01 1.479633017e+01 2.96 1.404300318e+01 1.404300318e+01 2.98 1.332403072e+01 1.332403072e+01 3.00 1.263768785e+01 1.263768785e+01 3.02 1.198247824e+01 1.198247824e+01 3.04 1.135687117e+01 1.135687117e+01 3.06 1.075942176e+01 1.075942176e+01 3.08 1.018876670e+01 1.018876670e+01 3.10 9.643620282e+00 9.643620282e+00 3.12 9.122770468e+00 9.122770468e+00 3.14 8.625075206e+00 8.625075206e+00 3.16 8.149458826e+00 8.149458826e+00 3.18 7.694873097e+00 7.694873097e+00 3.20 7.260366970e+00 7.260366970e+00 3.22 6.845097240e+00 6.845097240e+00 3.24 6.448214546e+00 6.448214546e+00 3.26 6.068919963e+00 6.068919963e+00 3.28 5.706461455e+00 5.706461455e+00 3.30 5.360130340e+00 5.360130340e+00 3.32 5.029257778e+00 5.029257778e+00 3.34 4.713143308e+00 4.713143308e+00 3.36 4.411149862e+00 4.411149862e+00 3.38 4.122387354e+00 4.122387354e+00 3.40 3.846841904e+00 3.846841904e+00 3.42 3.584025156e+00 3.584025156e+00 3.44 3.333352356e+00 3.333352356e+00 3.46 3.094289898e+00 3.094289898e+00 3.48 2.866489168e+00 2.866489168e+00 3.50 2.649480763e+00 2.649480763e+00 3.52 2.442813903e+00 2.442813903e+00 3.54 2.246054627e+00 2.246054627e+00 3.56 2.058784362e+00 2.058784362e+00 3.58 1.880598827e+00 1.880598827e+00 3.60 1.711107259e+00 1.711107259e+00 3.62 1.549931884e+00 1.549931884e+00 3.64 1.396707618e+00 1.396707618e+00 3.66 1.251081924e+00 1.251081924e+00 3.68 1.112712504e+00 1.112712504e+00 3.70 9.811482744e-01 9.811482744e-01 3.72 8.558503891e-01 8.558503891e-01 3.74 7.368495451e-01 7.368495451e-01 3.76 6.240007169e-01 6.240007169e-01 3.78 5.170025380e-01 5.170025380e-01 3.80 4.155709607e-01 4.155709607e-01 3.82 3.194385887e-01 3.194385887e-01 3.84 2.283539832e-01 2.283539832e-01 3.86 1.420809476e-01 1.420809476e-01 3.88 6.039779396e-02 6.039779396e-02 3.90 -1.690340219e-02 -1.690340219e-02 3.92 -9.001755595e-02 -9.001755595e-02 3.94 -1.591273300e-01 -1.591273300e-01 3.96 -2.244038909e-01 -2.244038909e-01 3.98 -2.860076596e-01 -2.860076596e-01 4.00 -3.440890524e-01 -3.440890524e-01 4.02 -3.987892082e-01 -3.987892082e-01 4.04 -4.502406976e-01 -4.502406976e-01 4.06 -4.985682108e-01 -4.985682108e-01 4.08 -5.438892206e-01 -5.438892206e-01 4.10 -5.863146168e-01 -5.863146168e-01 4.12 -6.259493106e-01 -6.259493106e-01 4.14 -6.628928055e-01 -6.628928055e-01 4.16 -6.972397337e-01 -6.972397337e-01 4.18 -7.290803565e-01 -7.290803565e-01 4.20 -7.585010276e-01 -7.585010276e-01 4.22 -7.857437550e-01 -7.857437550e-01 4.24 -8.107441744e-01 -8.107441744e-01 4.26 -8.335252576e-01 -8.335252576e-01 4.28 -8.541685019e-01 -8.541685019e-01 4.30 -8.727522439e-01 -8.727522439e-01 4.32 -8.893520357e-01 -8.893520357e-01 4.34 -9.040409840e-01 -9.040409840e-01 4.36 -9.168900530e-01 -9.168900530e-01 4.38 -9.279683330e-01 -9.279683330e-01 4.40 -9.373432767e-01 -9.373432767e-01 4.42 -9.450809040e-01 -9.450809040e-01 4.44 -9.512459794e-01 -9.512459794e-01 4.46 -9.559021624e-01 -9.559021624e-01 4.48 -9.591121335e-01 -9.591121335e-01 4.50 -9.610244028e-01 -9.610244028e-01 4.52 -9.616251309e-01 -9.616251309e-01 4.54 -9.609409867e-01 -9.609409867e-01 4.56 -9.590353606e-01 -9.590353606e-01 4.58 -9.559704302e-01 -9.559704302e-01 4.60 -9.518072387e-01 -9.518072387e-01 4.62 -9.466057542e-01 -9.466057542e-01 4.64 -9.404249121e-01 -9.404249121e-01 4.66 -9.333226405e-01 -9.333226405e-01 4.68 -9.253558680e-01 -9.253558680e-01 4.70 -9.165805170e-01 -9.165805170e-01 4.72 -9.070514823e-01 -9.070514823e-01 4.74 -8.968225962e-01 -8.968225962e-01 4.76 -8.859465825e-01 -8.859465825e-01 4.78 -8.744750004e-01 -8.744750004e-01 4.80 -8.624581807e-01 -8.624581807e-01 4.82 -8.499451551e-01 -8.499451551e-01 4.84 -8.369835819e-01 -8.369835819e-01 4.86 -8.236196688e-01 -8.236196688e-01 4.88 -8.098980956e-01 -8.098980956e-01 4.90 -7.958619390e-01 -7.958619390e-01 4.92 -7.815525992e-01 -7.815525992e-01 4.94 -7.670097332e-01 -7.670097332e-01 4.96 -7.522711936e-01 -7.522711936e-01 4.98 -7.373729763e-01 -7.373729763e-01 5.00 -7.223491762e-01 -7.223491762e-01 5.02 -7.072319545e-01 -7.072319545e-01 5.04 -6.920515160e-01 -6.920515160e-01 5.06 -6.768360987e-01 -6.768360987e-01 5.08 -6.616119752e-01 -6.616119752e-01 5.10 -6.464034655e-01 -6.464034655e-01 5.12 -6.312329633e-01 -6.312329633e-01 5.14 -6.161209726e-01 -6.161209726e-01 5.16 -6.010861565e-01 -6.010861565e-01 5.18 -5.861453957e-01 -5.861453957e-01 5.20 -5.713138580e-01 -5.713138580e-01 5.22 -5.566050754e-01 -5.566050754e-01 5.24 -5.420310299e-01 -5.420310299e-01 5.26 -5.276022453e-01 -5.276022453e-01 5.28 -5.133278847e-01 -5.133278847e-01 5.30 -4.992158520e-01 -4.992158520e-01 5.32 -4.852728967e-01 -4.852728967e-01 5.34 -4.715047199e-01 -4.715047199e-01 5.36 -4.579160810e-01 -4.579160810e-01 5.38 -4.445109034e-01 -4.445109034e-01 5.40 -4.312923783e-01 -4.312923783e-01 5.42 -4.182630661e-01 -4.182630661e-01 5.44 -4.054249935e-01 -4.054249935e-01 5.46 -3.927797456e-01 -3.927797456e-01 5.48 -3.803285528e-01 -3.803285528e-01 5.50 -3.680723721e-01 -3.680723721e-01 5.52 -3.560119607e-01 -3.560119607e-01 5.54 -3.441479433e-01 -3.441479433e-01 5.56 -3.324808717e-01 -3.324808717e-01 5.58 -3.210112768e-01 -3.210112768e-01 5.60 -3.097397131e-01 -3.097397131e-01 5.62 -2.986667956e-01 -2.986667956e-01 5.64 -2.877932286e-01 -2.877932286e-01 5.66 -2.771198279e-01 -2.771198279e-01 5.68 -2.666475353e-01 -2.666475353e-01 5.70 -2.563774264e-01 -2.563774264e-01 5.72 -2.463107125e-01 -2.463107125e-01 5.74 -2.364487356e-01 -2.364487356e-01 5.76 -2.267929592e-01 -2.267929592e-01 5.78 -2.173736551e-01 -2.173736551e-01 5.80 -2.082182691e-01 -2.082182691e-01 5.82 -1.992612109e-01 -1.992612109e-01 5.84 -1.905058142e-01 -1.905058142e-01 5.86 -1.819552624e-01 -1.819552624e-01 5.88 -1.736125700e-01 -1.736125700e-01 5.90 -1.654805618e-01 -1.654805618e-01 5.92 -1.575618520e-01 -1.575618520e-01 5.94 -1.498588215e-01 -1.498588215e-01 5.96 -1.424245243e-01 -1.424245243e-01 5.98 -1.352272177e-01 -1.352272177e-01 6.00 -1.282402398e-01 -1.282402398e-01