# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2017--OBrien-C-J-Barr-C-M-Price-P-M-et-al--Pt-Au
# implementation = 2017--OBrien-C-J--Pt-Au--LAMMPS--ipr1
# composition = Au2Pt
# 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  4.381706476e+03 
0.92  3.950520926e+03 
0.94  3.563796554e+03 
0.96  3.216612345e+03 
0.98  2.904648966e+03 
1.00  2.624080021e+03 
1.02  2.371557204e+03 
1.04  2.144106760e+03 
1.06  1.939115133e+03 
1.08  1.754234886e+03 
1.10  1.587398460e+03 
1.12  1.436753614e+03 
1.14  1.300664124e+03 
1.16  1.177678269e+03 
1.18  1.066496715e+03 
1.20  9.659475237e+02 
1.22  8.749918095e+02 
1.24  7.926623910e+02 
1.26  7.181136605e+02 
1.28  6.505914927e+02 
1.30  5.894299672e+02 
1.32  5.340248471e+02 
1.34  4.838276352e+02 
1.36  4.383223639e+02 
1.38  3.970726825e+02 
1.40  3.596763885e+02 
1.42  3.257777169e+02 
1.44  2.950448449e+02 
1.46  2.671722556e+02 
1.48  2.418888431e+02 
1.50  2.189548832e+02 
1.52  1.981479079e+02 
1.54  1.792764998e+02 
1.56  1.621615548e+02 
1.58  1.466467619e+02 
1.60  1.325752255e+02 
1.62  1.198138341e+02 
1.64  1.082380102e+02 
1.66  9.774110240e+01 
1.68  8.821377291e+01 
1.70  7.957679862e+01 
1.72  7.174696121e+01 
1.74  6.464967928e+01 
1.76  5.821944123e+01 
1.78  5.239121247e+01 
1.80  4.711456766e+01 
1.82  4.234007886e+01 
1.84  3.801974354e+01 
1.86  3.410881730e+01 
1.88  3.056684823e+01 
1.90  2.735699586e+01 
1.92  2.445016354e+01 
1.94  2.182074176e+01 
1.96  1.944835744e+01 
1.98  1.731013449e+01 
2.00  1.538380096e+01 
2.02  1.364850491e+01 
2.04  1.209045369e+01 
2.06  1.068522799e+01 
2.08  9.410247378e+00 
2.10  8.225301355e+00 
2.12  7.124151613e+00 
2.14  6.102960799e+00 
2.16  5.157728459e+00 
2.18  4.284321779e+00 
2.20  3.478077928e+00 
2.22  2.735708432e+00 
2.24  2.058800733e+00 
2.26  1.434365267e+00 
2.28  8.632914632e-01 
2.30  3.424406330e-01 
2.32 -1.344116721e-01 
2.34 -5.672537708e-01 
2.36 -9.601631308e-01 
2.38 -1.315581948e+00 
2.40 -1.635738945e+00 
2.42 -1.922953627e+00 
2.44 -2.179498254e+00 
2.46 -2.407827866e+00 
2.48 -2.609018890e+00 
2.50 -2.784315896e+00 
2.52 -2.944831893e+00 
2.54 -3.081567457e+00 
2.56 -3.199878795e+00 
2.58 -3.300897712e+00 
2.60 -3.385608405e+00 
2.62 -3.454908949e+00 
2.64 -3.509690157e+00 
2.66 -3.550848002e+00 
2.68 -3.579231727e+00 
2.70 -3.595700875e+00 
2.72 -3.601171327e+00 
2.74 -3.596562621e+00 
2.76 -3.582816791e+00 
2.78 -3.563604731e+00 
2.80 -3.535502133e+00 
2.82 -3.501226091e+00 
2.84 -3.461517577e+00 
2.86 -3.417042982e+00 
2.88 -3.367257662e+00 
2.90 -3.315524797e+00 
2.92 -3.260989064e+00 
2.94 -3.204113889e+00 
2.96 -3.144856546e+00 
2.98 -3.083199918e+00 
3.00 -3.020801089e+00 
3.02 -2.957611838e+00 
3.04 -2.893366094e+00 
3.06 -2.828317538e+00 
3.08 -2.762629307e+00 
3.10 -2.696105211e+00 
3.12 -2.628743931e+00 
3.14 -2.562072432e+00 
3.16 -2.495322047e+00 
3.18 -2.430687681e+00 
3.20 -2.361780531e+00 
3.22 -2.293739828e+00 
3.24 -2.227002672e+00 
3.26 -2.161880041e+00 
3.28 -2.098558538e+00 
3.30 -2.037106703e+00 
3.32 -1.977483488e+00 
3.34 -1.919547382e+00 
3.36 -1.863065726e+00 
3.38 -1.807739478e+00 
3.40 -1.753414913e+00 
3.42 -1.700071606e+00 
3.44 -1.647696302e+00 
3.46 -1.596084975e+00 
3.48 -1.543888556e+00 
3.50 -1.492330667e+00 
3.52 -1.441414733e+00 
3.54 -1.394283991e+00 
3.56 -1.348215434e+00 
3.58 -1.303266571e+00 
3.60 -1.259494890e+00 
3.62 -1.216907017e+00 
3.64 -1.175491932e+00 
3.66 -1.135236817e+00 
3.68 -1.096127256e+00 
3.70 -1.058147427e+00 
3.72 -1.021280272e+00 
3.74 -9.855076803e-01 
3.76 -9.508421440e-01 
3.78 -9.180770639e-01 
3.80 -8.870131240e-01 
3.82 -8.564145837e-01 
3.84 -8.265992198e-01 
3.86 -7.967263104e-01 
3.88 -7.678242765e-01 
3.90 -7.398599972e-01 
3.92 -7.128106111e-01 
3.94 -6.866532306e-01 
3.96 -6.613650034e-01 
3.98 -6.369231526e-01 
4.00 -6.133050428e-01 
4.02 -5.904882138e-01 
4.04 -5.684504192e-01 
4.06 -5.471696659e-01 
4.08 -5.266242400e-01 
4.10 -5.067927370e-01 
4.12 -4.876540781e-01 
4.14 -4.691875409e-01 
4.16 -4.513727690e-01 
4.18 -4.341897892e-01 
4.20 -4.176190232e-01 
4.22 -4.016412981e-01 
4.24 -3.862378542e-01 
4.26 -3.713903538e-01 
4.28 -3.570808822e-01 
4.30 -3.432919481e-01 
4.32 -3.300064883e-01 
4.34 -3.172078825e-01 
4.36 -3.048799226e-01 
4.38 -2.930068192e-01 
4.40 -2.815732576e-01 
4.42 -2.705642630e-01 
4.44 -2.599653565e-01 
4.46 -2.497624099e-01 
4.48 -2.399417522e-01 
4.50 -2.304900488e-01 
4.52 -2.213944601e-01 
4.54 -2.126423944e-01 
4.56 -2.042217767e-01 
4.58 -1.961208538e-01 
4.60 -1.883281129e-01 
4.62 -1.808327241e-01 
4.64 -1.736238399e-01 
4.66 -1.666910829e-01 
4.68 -1.600246584e-01 
4.70 -1.536147960e-01 
4.72 -1.474524250e-01 
4.74 -1.415439622e-01 
4.76 -1.358609993e-01 
4.78 -1.303686639e-01 
4.80 -1.250540442e-01 
4.82 -1.199461434e-01 
4.84 -1.150890535e-01 
4.86 -1.105143447e-01 
4.88 -1.062175476e-01 
4.90 -1.013724425e-01 
4.92 -9.523403335e-02 
4.94 -8.928154609e-02 
4.96 -8.513628002e-02 
4.98 -8.178833356e-02 
5.00 -8.003372682e-02 
5.02 -7.849020710e-02 
5.04 -7.706506640e-02 
5.06 -7.566781409e-02 
5.08 -7.422781549e-02 
5.10 -7.266375072e-02 
5.12 -7.087572784e-02 
5.14 -6.886997827e-02 
5.16 -6.666100356e-02 
5.18 -6.431280721e-02 
5.20 -6.192693296e-02 
5.22 -5.960501153e-02 
5.24 -5.744001105e-02 
5.26 -5.550954252e-02 
5.28 -5.389942246e-02 
5.30 -5.265990804e-02 
5.32 -5.171756707e-02 
5.34 -5.099527312e-02 
5.36 -5.042661038e-02 
5.38 -4.995491035e-02 
5.40 -4.953203706e-02 
5.42 -4.911706965e-02 
5.44 -4.867478484e-02 
5.46 -4.817402378e-02 
5.48 -4.758612045e-02 
5.50 -4.688358108e-02 
5.52 -4.604710040e-02 
5.54 -4.508446902e-02 
5.56 -4.400944558e-02 
5.58 -4.283378630e-02 
5.60 -4.157200066e-02 
5.62 -4.025315926e-02 
5.64 -3.873878332e-02 
5.66 -3.420590158e-02 
5.68 -2.408185727e-02 
5.70 -1.160431568e-02 
5.72 -2.972046206e-03 
5.74 -1.054332387e-04 
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