# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2Pt # 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 8.527242669e+02 0.90 7.783123124e+02 0.92 7.111516528e+02 0.94 6.504312297e+02 0.96 5.954500003e+02 0.98 5.455942585e+02 1.00 5.003296049e+02 1.02 4.591826602e+02 1.04 4.217379156e+02 1.06 3.876278219e+02 1.08 3.565231570e+02 1.10 3.281357890e+02 1.12 3.022054158e+02 1.14 2.784985272e+02 1.16 2.568074081e+02 1.18 2.369443920e+02 1.20 2.187406950e+02 1.22 2.020432523e+02 1.24 1.867174654e+02 1.26 1.726392474e+02 1.28 1.596965775e+02 1.30 1.477860541e+02 1.32 1.368178996e+02 1.34 1.267096489e+02 1.36 1.173859451e+02 1.38 1.087789361e+02 1.40 1.008266550e+02 1.42 9.347230773e+01 1.44 8.666600340e+01 1.46 8.036131531e+01 1.48 7.451640190e+01 1.50 6.909340153e+01 1.52 6.405773200e+01 1.54 5.937754321e+01 1.56 5.502414155e+01 1.58 5.097143058e+01 1.60 4.719670652e+01 1.62 4.367791772e+01 1.64 4.039594544e+01 1.66 3.733287230e+01 1.68 3.447233126e+01 1.70 3.179937479e+01 1.72 2.930016581e+01 1.74 2.696243125e+01 1.76 2.477471865e+01 1.78 2.268236429e+01 1.80 2.076179271e+01 1.82 1.896251084e+01 1.84 1.727879005e+01 1.86 1.570300467e+01 1.88 1.422817880e+01 1.90 1.284789831e+01 1.92 1.155633049e+01 1.94 1.034812536e+01 1.96 9.218361434e+00 1.98 8.162182315e+00 2.00 7.175699329e+00 2.02 6.255025122e+00 2.04 5.396504027e+00 2.06 4.596718454e+00 2.08 3.852463302e+00 2.10 3.160726359e+00 2.12 2.518292349e+00 2.14 1.922737811e+00 2.16 1.371511542e+00 2.18 8.622339875e-01 2.20 3.927410240e-01 2.22 -3.915497095e-02 2.24 -4.353030296e-01 2.26 -7.978032243e-01 2.28 -1.128775668e+00 2.30 -1.430083561e+00 2.32 -1.703543878e+00 2.34 -1.950759548e+00 2.36 -2.173340241e+00 2.38 -2.372824816e+00 2.40 -2.550683774e+00 2.42 -2.708381573e+00 2.44 -2.847205342e+00 2.46 -2.968425916e+00 2.48 -3.073251640e+00 2.50 -3.162750572e+00 2.52 -3.237881780e+00 2.54 -3.299872230e+00 2.56 -3.349802290e+00 2.58 -3.388611879e+00 2.60 -3.417188699e+00 2.62 -3.436369760e+00 2.64 -3.446942955e+00 2.66 -3.449648713e+00 2.68 -3.445181669e+00 2.70 -3.434192424e+00 2.72 -3.417289327e+00 2.74 -3.395040299e+00 2.76 -3.367971370e+00 2.78 -3.336909641e+00 2.80 -3.302214254e+00 2.82 -3.264043049e+00 2.84 -3.222791749e+00 2.86 -3.178832787e+00 2.88 -3.132293752e+00 2.90 -3.082867075e+00 2.92 -3.031844134e+00 2.94 -2.979211102e+00 2.96 -2.925377475e+00 2.98 -2.870548493e+00 3.00 -2.814927262e+00 3.02 -2.758697681e+00 3.04 -2.702027538e+00 3.06 -2.645069685e+00 3.08 -2.587963063e+00 3.10 -2.530833736e+00 3.12 -2.473795975e+00 3.14 -2.416953312e+00 3.16 -2.360398698e+00 3.18 -2.304215947e+00 3.20 -2.248480678e+00 3.22 -2.193259452e+00 3.24 -2.138604139e+00 3.26 -2.085033964e+00 3.28 -2.032266884e+00 3.30 -1.980181482e+00 3.32 -1.928817398e+00 3.34 -1.878205565e+00 3.36 -1.828377730e+00 3.38 -1.779356123e+00 3.40 -1.731175428e+00 3.42 -1.684040501e+00 3.44 -1.637749256e+00 3.46 -1.592317542e+00 3.48 -1.547768250e+00 3.50 -1.504046669e+00 3.52 -1.461082466e+00 3.54 -1.418880880e+00 3.56 -1.377522823e+00 3.58 -1.337068502e+00 3.60 -1.297525760e+00 3.62 -1.258880196e+00 3.64 -1.221111998e+00 3.66 -1.184180747e+00 3.68 -1.148093648e+00 3.70 -1.112863027e+00 3.72 -1.078501497e+00 3.74 -1.045004082e+00 3.76 -1.012095758e+00 3.78 -9.798063221e-01 3.80 -9.483063580e-01 3.82 -9.177256608e-01 3.84 -8.881417560e-01 3.86 -8.595568636e-01 3.88 -8.320442036e-01 3.90 -8.057484559e-01 3.92 -7.808321551e-01 3.94 -7.569285838e-01 3.96 -7.337220071e-01 3.98 -7.109863663e-01 4.00 -6.886136615e-01 4.02 -6.664117596e-01 4.04 -6.442210870e-01 4.06 -6.219417534e-01 4.08 -5.995204346e-01 4.10 -5.769395610e-01 4.12 -5.542084577e-01 4.14 -5.313524713e-01 4.16 -5.083252791e-01 4.18 -4.852573265e-01 4.20 -4.623295185e-01 4.22 -4.396847301e-01 4.24 -4.174090419e-01 4.26 -3.956245111e-01 4.28 -3.744374816e-01 4.30 -3.539265690e-01 4.32 -3.341475865e-01 4.34 -3.151376878e-01 4.36 -2.969188519e-01 4.38 -2.795008051e-01 4.40 -2.628834636e-01 4.42 -2.470589714e-01 4.44 -2.320133953e-01 4.46 -2.177281310e-01 4.48 -2.041810648e-01 4.50 -1.913475276e-01 4.52 -1.792010761e-01 4.54 -1.677141290e-01 4.56 -1.568584838e-01 4.58 -1.466057274e-01 4.60 -1.369275643e-01 4.62 -1.277960741e-01 4.64 -1.191839108e-01 4.66 -1.110644548e-01 4.68 -1.034119235e-01 4.70 -9.620145074e-02 4.72 -8.940913948e-02 4.74 -8.301209362e-02 4.76 -7.698843280e-02 4.78 -7.131729278e-02 4.80 -6.597088096e-02 4.82 -6.117285192e-02 4.84 -5.674560943e-02 4.86 -5.257387424e-02 4.88 -4.864335762e-02 4.90 -4.494051320e-02 4.92 -4.145250798e-02 4.94 -3.816719290e-02 4.96 -3.507307255e-02 4.98 -3.215927516e-02 5.00 -2.941552297e-02 5.02 -2.683210372e-02 5.04 -2.439984266e-02 5.06 -2.211007452e-02 5.08 -1.995461734e-02 5.10 -1.792574717e-02 5.12 -1.601617388e-02 5.14 -1.421901785e-02 5.16 -1.252778759e-02 5.18 -1.093635864e-02 5.20 -9.438953467e-03 5.22 -8.030122531e-03 5.24 -6.704725810e-03 5.26 -5.457895993e-03 5.28 -4.286347089e-03 5.30 -3.213697641e-03 5.32 -2.827251707e-03 5.34 -2.484958845e-03 5.36 -2.168793956e-03 5.38 -1.872455329e-03 5.40 -1.594725380e-03 5.42 -1.334459794e-03 5.44 -1.090583184e-03 5.46 -8.620850077e-04 5.48 -6.480157507e-04 5.50 -4.474833199e-04 5.52 -2.596496089e-04 5.54 -8.260191179e-05 5.56 0.000000000e+00 5.58 0.000000000e+00 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