# 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 = Pt2Ta
# 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    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  nan             
0.92  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  5.512402712e+02 
1.16  5.133820027e+02 
1.18  4.783624134e+02 
1.20  4.459236600e+02 
1.22  4.157956804e+02 
1.24  3.877353465e+02 
1.26  3.615507314e+02 
1.28  3.371021841e+02 
1.30  3.142829232e+02 
1.32  2.929941993e+02 
1.34  2.731320517e+02 
1.36  2.545869071e+02 
1.38  2.372487318e+02 
1.40  2.210147241e+02 
1.42  2.057951688e+02 
1.44  1.915125864e+02 
1.46  1.780979972e+02 
1.48  1.654908859e+02 
1.50  1.536413832e+02 
1.52  1.425090225e+02 
1.54  1.320572772e+02 
1.56  1.222478620e+02 
1.58  1.130380865e+02 
1.60  1.043814961e+02 
1.62  9.623040825e+01 
1.64  8.853897657e+01 
1.66  8.126598939e+01 
1.68  7.437699939e+01 
1.70  6.784908501e+01 
1.72  6.166510251e+01 
1.74  5.580868510e+01 
1.76  5.029819443e+01 
1.78  4.522931404e+01 
1.80  4.057361530e+01 
1.82  3.629346785e+01 
1.84  3.235593660e+01 
1.86  2.873392948e+01 
1.88  2.540575758e+01 
1.90  2.235348416e+01 
1.92  1.956091858e+01 
1.94  1.701217739e+01 
1.96  1.469122054e+01 
1.98  1.258206650e+01 
2.00  1.066911271e+01 
2.02  8.937239551e+00 
2.04  7.371747940e+00 
2.06  5.958325242e+00 
2.08  4.683145623e+00 
2.10  3.533070171e+00 
2.12  2.495853032e+00 
2.14  1.560289032e+00 
2.16  7.162908882e-01 
2.18 -4.509150955e-02 
2.20 -7.317008921e-01 
2.22 -1.350348967e+00 
2.24 -1.906933142e+00 
2.26 -2.406579356e+00 
2.28 -2.853792906e+00 
2.30 -3.252600851e+00 
2.32 -3.606674008e+00 
2.34 -3.919421583e+00 
2.36 -4.194056779e+00 
2.38 -4.433636692e+00 
2.40 -4.641062814e+00 
2.42 -4.818977654e+00 
2.44 -4.970198526e+00 
2.46 -5.097453650e+00 
2.48 -5.203300787e+00 
2.50 -5.290130207e+00 
2.52 -5.361095883e+00 
2.54 -5.420579486e+00 
2.56 -5.469528166e+00 
2.58 -5.508467008e+00 
2.60 -5.537939149e+00 
2.62 -5.558454086e+00 
2.64 -5.570446883e+00 
2.66 -5.574266912e+00 
2.68 -5.570188904e+00 
2.70 -5.558434766e+00 
2.72 -5.539196052e+00 
2.74 -5.512651399e+00 
2.76 -5.478977596e+00 
2.78 -5.438355863e+00 
2.80 -5.390976312e+00 
2.82 -5.337043610e+00 
2.84 -5.276786526e+00 
2.86 -5.210472782e+00 
2.88 -5.138429083e+00 
2.90 -5.061063906e+00 
2.92 -4.978888080e+00 
2.94 -4.892526143e+00 
2.96 -4.802711100e+00 
2.98 -4.710257862e+00 
3.00 -4.616016150e+00 
3.02 -4.520810468e+00 
3.04 -4.425379747e+00 
3.06 -4.330329826e+00 
3.08 -4.236107526e+00 
3.10 -4.142998340e+00 
3.12 -4.051143237e+00 
3.14 -3.960566840e+00 
3.16 -3.871209042e+00 
3.18 -3.782954364e+00 
3.20 -3.695655949e+00 
3.22 -3.609153488e+00 
3.24 -3.523285756e+00 
3.26 -3.437898998e+00 
3.28 -3.352852404e+00 
3.30 -3.268021598e+00 
3.32 -3.183300701e+00 
3.34 -3.098603250e+00 
3.36 -3.013862058e+00 
3.38 -2.929028245e+00 
3.40 -2.844118413e+00 
3.42 -2.759277080e+00 
3.44 -2.674655710e+00 
3.46 -2.590393192e+00 
3.48 -2.506616940e+00 
3.50 -2.423443940e+00 
3.52 -2.340982010e+00 
3.54 -2.259331496e+00 
3.56 -2.178587442e+00 
3.58 -2.098842227e+00 
3.60 -2.020188517e+00 
3.62 -1.942722340e+00 
3.64 -1.866545982e+00 
3.66 -1.791770369e+00 
3.68 -1.718516589e+00 
3.70 -1.646916185e+00 
3.72 -1.577109954e+00 
3.74 -1.509245084e+00 
3.76 -1.443470642e+00 
3.78 -1.379931639e+00 
3.80 -1.318762143e+00 
3.82 -1.260078064e+00 
3.84 -1.203970379e+00 
3.86 -1.150499570e+00 
3.88 -1.099691881e+00 
3.90 -1.051537854e+00 
3.92 -1.005993228e+00 
3.94 -9.629820781e-01 
3.96 -9.224017314e-01 
3.98 -8.841289513e-01 
4.00 -8.480267145e-01 
4.02 -8.139509973e-01 
4.04 -7.817570492e-01 
4.06 -7.513047571e-01 
4.08 -7.224628248e-01 
4.10 -6.951116099e-01 
4.12 -6.691446019e-01 
4.14 -6.444685186e-01 
4.16 -6.210022893e-01 
4.18 -5.986750939e-01 
4.20 -5.774238241e-01 
4.22 -5.571903383e-01 
4.24 -5.379188808e-01 
4.26 -5.195539685e-01 
4.28 -5.020389388e-01 
4.30 -4.853152175e-01 
4.32 -4.693222388e-01 
4.34 -4.539978614e-01 
4.36 -4.392790866e-01 
4.38 -4.251028884e-01 
4.40 -4.114070098e-01 
4.42 -3.981306310e-01 
4.44 -3.852148730e-01 
4.46 -3.726031415e-01 
4.48 -3.602413349e-01 
4.50 -3.480780497e-01 
4.52 -3.360646775e-01 
4.54 -3.241555809e-01 
4.56 -3.123098795e-01 
4.58 -3.004892148e-01 
4.60 -2.886573325e-01 
4.62 -2.767840377e-01 
4.64 -2.648456238e-01 
4.66 -2.528256431e-01 
4.68 -2.407158933e-01 
4.70 -2.285174787e-01 
4.72 -2.162417968e-01 
4.74 -2.039112905e-01 
4.76 -1.915598047e-01 
4.78 -1.792323960e-01 
4.80 -1.669844755e-01 
4.82 -1.548802293e-01 
4.84 -1.429903146e-01 
4.86 -1.313889617e-01 
4.88 -1.201506567e-01 
4.90 -1.093466776e-01 
4.92 -9.904177998e-02 
4.94 -8.929132366e-02 
4.96 -8.013907799e-02 
4.98 -7.161585857e-02 
5.00 -6.373904612e-02 
5.02 -5.651293768e-02 
5.04 -4.992980007e-02 
5.06 -4.397144328e-02 
5.08 -3.861111268e-02 
5.10 -3.381550798e-02 
5.12 -2.954676608e-02 
5.14 -2.576427487e-02 
5.16 -2.242626783e-02 
5.18 -1.949113480e-02 
5.20 -1.691844688e-02 
5.22 -1.466969373e-02 
5.24 -1.270879594e-02 
5.26 -1.100233705e-02 
5.28 -9.519617625e-03 
5.30 -8.233314357e-03 
5.32 -7.118867335e-03 
5.34 -6.154328266e-03 
5.36 -5.320220367e-03 
5.38 -4.599359757e-03 
5.40 -3.976657671e-03 
5.42 -3.438917114e-03 
5.44 -2.974633181e-03 
5.46 -2.573802980e-03 
5.48 -2.227748701e-03 
5.50 -1.928955644e-03 
5.52 -1.670925832e-03 
5.54 -1.448047032e-03 
5.56 -1.255476506e-03 
5.58 -1.089038485e-03 
5.60 -9.451342309e-04 
5.62 -8.206634686e-04 
5.64 -7.129559965e-04 
5.66 -6.197123220e-04 
5.68 -5.389522538e-04 
5.70 -4.689704702e-04 
5.72 -4.082981737e-04 
5.74 -3.556700420e-04 
5.76 -3.099957700e-04 
5.78 -2.703355846e-04 
5.80 -2.358791903e-04 
5.82 -2.059276717e-04 
5.84 -1.798779430e-04 
5.86 -1.572093872e-04 
5.88 -1.374723782e-04 
5.90 -1.202784205e-04 
5.92 -1.052916764e-04 
5.94 -9.222168565e-05 
5.96 -8.081710748e-05 
5.98 -7.086034077e-05 
6.00 -6.216289690e-05