# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--Al-Cu--LAMMPS--ipr1 # composition = AlCu2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 9.601494776e+01 0.92 8.953068587e+01 0.94 8.357433221e+01 0.96 7.794715274e+01 0.98 7.275387439e+01 1.00 6.776511218e+01 1.02 6.301369482e+01 1.04 5.849453596e+01 1.06 5.420847118e+01 1.08 5.025244057e+01 1.10 4.658641892e+01 1.12 4.314976790e+01 1.14 3.993863693e+01 1.16 3.708144396e+01 1.18 3.454378074e+01 1.20 3.221374920e+01 1.22 3.001981195e+01 1.24 2.802888367e+01 1.26 2.622730488e+01 1.28 2.458032484e+01 1.30 2.303109399e+01 1.32 2.153510414e+01 1.34 2.012480082e+01 1.36 1.882163877e+01 1.38 1.762846800e+01 1.40 1.655147948e+01 1.42 1.557369861e+01 1.44 1.463746975e+01 1.46 1.368365194e+01 1.48 1.275025020e+01 1.50 1.186290150e+01 1.52 1.101270869e+01 1.54 1.019495201e+01 1.56 9.417970141e+00 1.58 8.709945713e+00 1.60 8.070257766e+00 1.62 7.484600671e+00 1.64 6.924733043e+00 1.66 6.359595346e+00 1.68 5.804276141e+00 1.70 5.278197014e+00 1.72 4.778267190e+00 1.74 4.302339230e+00 1.76 3.847098156e+00 1.78 3.410696149e+00 1.80 2.993999881e+00 1.82 2.598634029e+00 1.84 2.225362263e+00 1.86 1.873310212e+00 1.88 1.539905649e+00 1.90 1.223115098e+00 1.92 9.182397341e-01 1.94 6.122825143e-01 1.96 2.946051552e-01 1.98 -4.609550441e-02 2.00 -3.929962726e-01 2.02 -7.227100409e-01 2.04 -1.032912928e+00 2.06 -1.323203307e+00 2.08 -1.593022191e+00 2.10 -1.841809301e+00 2.12 -2.069021404e+00 2.14 -2.274111168e+00 2.16 -2.456566646e+00 2.18 -2.616349492e+00 2.20 -2.755264378e+00 2.22 -2.875070378e+00 2.24 -2.977627993e+00 2.26 -3.064559097e+00 2.28 -3.137423802e+00 2.30 -3.197748192e+00 2.32 -3.247020642e+00 2.34 -3.286240846e+00 2.36 -3.313996511e+00 2.38 -3.330352498e+00 2.40 -3.335935213e+00 2.42 -3.331309747e+00 2.44 -3.316307327e+00 2.46 -3.291237319e+00 2.48 -3.257832234e+00 2.50 -3.217880198e+00 2.52 -3.172252315e+00 2.54 -3.124353132e+00 2.56 -3.078325462e+00 2.58 -3.039600458e+00 2.60 -3.013707816e+00 2.62 -2.992163713e+00 2.64 -2.968024893e+00 2.66 -2.941395781e+00 2.68 -2.912402734e+00 2.70 -2.880803088e+00 2.72 -2.846040289e+00 2.74 -2.808751778e+00 2.76 -2.769036419e+00 2.78 -2.726708872e+00 2.80 -2.681810902e+00 2.82 -2.634674352e+00 2.84 -2.585750615e+00 2.86 -2.535629898e+00 2.88 -2.485054044e+00 2.90 -2.434843914e+00 2.92 -2.385032440e+00 2.94 -2.334821030e+00 2.96 -2.284451033e+00 2.98 -2.234189577e+00 3.00 -2.184354480e+00 3.02 -2.135260803e+00 3.04 -2.087683027e+00 3.06 -2.041995794e+00 3.08 -1.997723268e+00 3.10 -1.955063199e+00 3.12 -1.914172977e+00 3.14 -1.875157899e+00 3.16 -1.838140797e+00 3.18 -1.803086953e+00 3.20 -1.769712881e+00 3.22 -1.737625604e+00 3.24 -1.706436717e+00 3.26 -1.675728423e+00 3.28 -1.645186792e+00 3.30 -1.614656336e+00 3.32 -1.584122679e+00 3.34 -1.553749145e+00 3.36 -1.523897180e+00 3.38 -1.495134960e+00 3.40 -1.468208713e+00 3.42 -1.442938255e+00 3.44 -1.417750594e+00 3.46 -1.392577837e+00 3.48 -1.367398550e+00 3.50 -1.342210575e+00 3.52 -1.317089640e+00 3.54 -1.292141047e+00 3.56 -1.267444294e+00 3.58 -1.243018164e+00 3.60 -1.218873040e+00 3.62 -1.195005345e+00 3.64 -1.171377574e+00 3.66 -1.147942103e+00 3.68 -1.124664196e+00 3.70 -1.101483690e+00 3.72 -1.078318515e+00 3.74 -1.055098487e+00 3.76 -1.031827329e+00 3.78 -1.008515248e+00 3.80 -9.850957437e-01 3.82 -9.615362341e-01 3.84 -9.378451685e-01 3.86 -9.140331689e-01 3.88 -8.901174739e-01 3.90 -8.661205405e-01 3.92 -8.420785419e-01 3.94 -8.180473849e-01 3.96 -7.940921852e-01 3.98 -7.703126712e-01 4.00 -7.468254466e-01 4.02 -7.237733000e-01 4.04 -7.013511794e-01 4.06 -6.797250641e-01 4.08 -6.589104249e-01 4.10 -6.388916926e-01 4.12 -6.196422620e-01 4.14 -6.010234437e-01 4.16 -5.829943211e-01 4.18 -5.656622285e-01 4.20 -5.490905092e-01 4.22 -5.333069866e-01 4.24 -5.183114865e-01 4.26 -5.040830328e-01 4.28 -4.905915650e-01 4.30 -4.785649571e-01 4.32 -4.673955892e-01 4.34 -4.567022130e-01 4.36 -4.464555787e-01 4.38 -4.366263907e-01 4.40 -4.271852185e-01 4.42 -4.180999289e-01 4.44 -4.093343308e-01 4.46 -4.008472182e-01 4.48 -3.925741790e-01 4.50 -3.844246427e-01 4.52 -3.763029059e-01 4.54 -3.681093401e-01 4.56 -3.597447797e-01 4.58 -3.511621834e-01 4.60 -3.423540182e-01 4.62 -3.333142177e-01 4.64 -3.240376233e-01 4.66 -3.145200829e-01 4.68 -3.047585818e-01 4.70 -2.947513330e-01 4.72 -2.844978480e-01 4.74 -2.739990060e-01 4.76 -2.632571864e-01 4.78 -2.522765485e-01 4.80 -2.411419039e-01 4.82 -2.300756976e-01 4.84 -2.192936701e-01 4.86 -2.090053884e-01 4.88 -1.994197760e-01 4.90 -1.907451292e-01 4.92 -1.831870993e-01 4.94 -1.769237642e-01 4.96 -1.725667979e-01 4.98 -1.701222205e-01 5.00 -1.680812524e-01 5.02 -1.660247523e-01 5.04 -1.639398858e-01 5.06 -1.618106307e-01 5.08 -1.596005163e-01 5.10 -1.572431369e-01 5.12 -1.546671127e-01 5.14 -1.517980262e-01 5.16 -1.485580920e-01 5.18 -1.448658119e-01 5.20 -1.406356796e-01 5.22 -1.357780352e-01 5.24 -1.301991951e-01 5.26 -1.238020084e-01 5.28 -1.164870581e-01 5.30 -1.081546389e-01 5.32 -9.873189984e-02 5.34 -8.837251489e-02 5.36 -7.736959093e-02 5.38 -6.603796698e-02 5.40 -5.470465904e-02 5.42 -4.369798474e-02 5.44 -3.333674683e-02 5.46 -2.392132690e-02 5.48 -1.572835782e-02 5.50 -9.010303543e-03 5.52 -4.000633036e-03 5.54 -9.245590136e-04 5.56 -3.671022144e-06 5.58 -1.335924818e-06 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00