# 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 = PtTa2
# 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  5.312182579e+02 
1.16  4.933857815e+02 
1.18  4.584871688e+02 
1.20  4.262461386e+02 
1.22  3.963945052e+02 
1.24  3.687015197e+02 
1.26  3.429827404e+02 
1.28  3.190930698e+02 
1.30  2.969120208e+02 
1.32  2.763284116e+02 
1.34  2.572300914e+02 
1.36  2.394998958e+02 
1.38  2.230165773e+02 
1.40  2.076599260e+02 
1.42  1.933179258e+02 
1.44  1.798926604e+02 
1.46  1.673034842e+02 
1.48  1.554875970e+02 
1.50  1.443979925e+02 
1.52  1.339986835e+02 
1.54  1.242583324e+02 
1.56  1.151446084e+02 
1.58  1.066211598e+02 
1.60  9.864753986e+01 
1.62  9.118117087e+01 
1.64  8.418005632e+01 
1.66  7.760525084e+01 
1.68  7.142257318e+01 
1.70  6.560332186e+01 
1.72  6.012381094e+01 
1.74  5.496373900e+01 
1.76  5.010494707e+01 
1.78  4.553747967e+01 
1.80  4.124238076e+01 
1.82  3.719775283e+01 
1.84  3.338251351e+01 
1.86  2.979948689e+01 
1.88  2.648403046e+01 
1.90  2.341873028e+01 
1.92  2.058689348e+01 
1.94  1.797481459e+01 
1.96  1.557113722e+01 
1.98  1.336603509e+01 
2.00  1.135027441e+01 
2.02  9.514332998e+00 
2.04  7.847803244e+00 
2.06  6.339229177e+00 
2.08  4.976357819e+00 
2.10  3.746638371e+00 
2.12  2.637763699e+00 
2.14  1.638109475e+00 
2.16  7.370176542e-01 
2.18 -7.506736991e-02 
2.20 -8.065812279e-01 
2.22 -1.464912010e+00 
2.24 -2.056535692e+00 
2.26 -2.587186569e+00 
2.28 -3.062034471e+00 
2.30 -3.485842792e+00 
2.32 -3.863086255e+00 
2.34 -4.198015136e+00 
2.36 -4.494663872e+00 
2.38 -4.756815343e+00 
2.40 -4.987943842e+00 
2.42 -5.191164951e+00 
2.44 -5.369182048e+00 
2.46 -5.524073660e+00 
2.48 -5.658196809e+00 
2.50 -5.773769513e+00 
2.52 -5.872779288e+00 
2.54 -5.957042026e+00 
2.56 -6.028217975e+00 
2.58 -6.087792392e+00 
2.60 -6.136829427e+00 
2.62 -6.175755722e+00 
2.64 -6.204925268e+00 
2.66 -6.225544621e+00 
2.68 -6.238543080e+00 
2.70 -6.243857236e+00 
2.72 -6.241450403e+00 
2.74 -6.231311819e+00 
2.76 -6.213454288e+00 
2.78 -6.187910945e+00 
2.80 -6.154732689e+00 
2.82 -6.113987878e+00 
2.84 -6.065765446e+00 
2.86 -6.010181797e+00 
2.88 -5.947390905e+00 
2.90 -5.877595951e+00 
2.92 -5.801059755e+00 
2.94 -5.718110499e+00 
2.96 -5.629139268e+00 
2.98 -5.534587268e+00 
3.00 -5.434923208e+00 
3.02 -5.330614460e+00 
3.04 -5.222098137e+00 
3.06 -5.109758666e+00 
3.08 -4.993916736e+00 
3.10 -4.874831402e+00 
3.12 -4.752713996e+00 
3.14 -4.627750507e+00 
3.16 -4.500128320e+00 
3.18 -4.370063573e+00 
3.20 -4.237825860e+00 
3.22 -4.103757708e+00 
3.24 -3.968286629e+00 
3.26 -3.831928042e+00 
3.28 -3.695277966e+00 
3.30 -3.558995356e+00 
3.32 -3.423775212e+00 
3.34 -3.290314971e+00 
3.36 -3.159277822e+00 
3.38 -3.031257215e+00 
3.40 -2.906746704e+00 
3.42 -2.786118365e+00 
3.44 -2.669611600e+00 
3.46 -2.557332574e+00 
3.48 -2.449263064e+00 
3.50 -2.345276554e+00 
3.52 -2.245168696e+00 
3.54 -2.148773134e+00 
3.56 -2.055940229e+00 
3.58 -1.966496927e+00 
3.60 -1.880266810e+00 
3.62 -1.797087257e+00 
3.64 -1.716822537e+00 
3.66 -1.639372767e+00 
3.68 -1.564678716e+00 
3.70 -1.492722545e+00 
3.72 -1.423524640e+00 
3.74 -1.357136846e+00 
3.76 -1.293632668e+00 
3.78 -1.233095256e+00 
3.80 -1.175604306e+00 
3.82 -1.121223188e+00 
3.84 -1.069987656e+00 
3.86 -1.021897356e+00 
3.88 -9.769109606e-01 
3.90 -9.349452765e-01 
3.92 -8.958781015e-01 
3.94 -8.595541508e-01 
3.96 -8.257930318e-01 
3.98 -7.943981491e-01 
4.00 -7.651654926e-01 
4.02 -7.378914899e-01 
4.04 -7.123794006e-01 
4.06 -6.884440236e-01 
4.08 -6.659147373e-01 
4.10 -6.446370568e-01 
4.12 -6.244730258e-01 
4.14 -6.053006656e-01 
4.16 -5.870128935e-01 
4.18 -5.695160636e-01 
4.20 -5.527283587e-01 
4.22 -5.365781643e-01 
4.24 -5.210025121e-01 
4.26 -5.059456471e-01 
4.28 -4.913577413e-01 
4.30 -4.771937621e-01 
4.32 -4.634124916e-01 
4.34 -4.499756841e-01 
4.36 -4.368473471e-01 
4.38 -4.239931681e-01 
4.40 -4.113800095e-01 
4.42 -3.989755171e-01 
4.44 -3.867480138e-01 
4.46 -3.746668001e-01 
4.48 -3.626999221e-01 
4.50 -3.508158575e-01 
4.52 -3.389838073e-01 
4.54 -3.271738697e-01 
4.56 -3.153574268e-01 
4.58 -3.035077360e-01 
4.60 -2.916007168e-01 
4.62 -2.796159234e-01 
4.64 -2.675376796e-01 
4.66 -2.553563343e-01 
4.68 -2.430695744e-01 
4.70 -2.306837033e-01 
4.72 -2.182147672e-01 
4.74 -2.056893895e-01 
4.76 -1.931451645e-01 
4.78 -1.806304709e-01 
4.80 -1.682035940e-01 
4.82 -1.559311112e-01 
4.84 -1.438855564e-01 
4.86 -1.321424941e-01 
4.88 -1.207771975e-01 
4.90 -1.098612022e-01 
4.92 -9.945903763e-02 
4.94 -8.962542279e-02 
4.96 -8.040315830e-02 
4.98 -7.182185887e-02 
5.00 -6.389757120e-02 
5.02 -5.663320247e-02 
5.04 -5.001964689e-02 
5.06 -4.403742405e-02 
5.08 -3.865861563e-02 
5.10 -3.384890627e-02 
5.12 -2.956955236e-02 
5.14 -2.577920403e-02 
5.16 -2.243539329e-02 
5.18 -1.949547010e-02 
5.20 -1.691894081e-02 
5.22 -1.466728777e-02 
5.24 -1.270433232e-02 
5.26 -1.099659944e-02 
5.28 -9.513495702e-03 
5.30 -8.227345980e-03 
5.32 -7.113328016e-03 
5.34 -6.149337061e-03 
5.36 -5.315806321e-03 
5.38 -4.595502866e-03 
5.40 -3.973313604e-03 
5.42 -3.436031715e-03 
5.44 -2.972150658e-03 
5.46 -2.571670244e-03 
5.48 -2.225917423e-03 
5.50 -1.927382993e-03 
5.52 -1.669574488e-03 
5.54 -1.446884828e-03 
5.56 -1.254475906e-03 
5.58 -1.088176013e-03 
5.60 -9.443899163e-04 
5.62 -8.200203399e-04 
5.64 -7.123996296e-04 
5.66 -6.192304502e-04 
5.68 -5.385344344e-04 
5.70 -4.686078008e-04 
5.72 -4.079830540e-04 
5.74 -3.553959732e-04 
5.76 -3.097571859e-04 
5.78 -2.701277106e-04 
5.80 -2.356979242e-04 
5.82 -2.057694840e-04 
5.84 -1.797397925e-04 
5.86 -1.570886500e-04 
5.88 -1.373667878e-04 
5.90 -1.201860164e-04 
5.92 -1.052107612e-04 
5.94 -9.215078797e-05 
5.96 -8.075495094e-05 
5.98 -7.080581684e-05 
6.00 -6.211504207e-05