# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I
# implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1
# composition = F2K
# 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  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  2.263484741e+04 
1.10  1.869313671e+04 
1.12  1.548707172e+04 
1.14  1.287056267e+04 
1.16  1.072818267e+04 
1.18  8.967579529e+03 
1.20  7.516718339e+03 
1.22  6.316653365e+03 
1.24  5.321545874e+03 
1.26  4.493997365e+03 
1.28  3.803665087e+03 
1.30  3.226652093e+03 
1.32  2.742866513e+03 
1.34  2.336347119e+03 
1.36  1.994025353e+03 
1.38  1.704776766e+03 
1.40  1.459950822e+03 
1.42  1.252438683e+03 
1.44  1.076167380e+03 
1.46  9.259044053e+02 
1.48  7.977607969e+02 
1.50  6.882765562e+02 
1.52  5.945666601e+02 
1.54  5.141606258e+02 
1.56  4.450927385e+02 
1.58  3.856780696e+02 
1.60  3.344861868e+02 
1.62  2.903074800e+02 
1.64  2.520319661e+02 
1.66  2.189122436e+02 
1.68  1.902378280e+02 
1.70  1.653808218e+02 
1.72  1.438069687e+02 
1.74  1.250604962e+02 
1.76  1.087172912e+02 
1.78  9.447486623e+01 
1.80  8.206505754e+01 
1.82  7.124598529e+01 
1.84  6.180440741e+01 
1.86  5.355575809e+01 
1.88  4.634492303e+01 
1.90  4.003597164e+01 
1.92  3.449901244e+01 
1.94  2.964766674e+01 
1.96  2.539521160e+01 
1.98  2.166540544e+01 
2.00  1.839201116e+01 
2.02  1.551736644e+01 
2.04  1.299032926e+01 
2.06  1.077010587e+01 
2.08  8.819021721e+00 
2.10  7.104355478e+00 
2.12  5.589130785e+00 
2.14  4.253144072e+00 
2.16  3.081842417e+00 
2.18  2.055827765e+00 
2.20  1.158059549e+00 
2.22  3.735730021e-01 
2.24 -3.107260979e-01 
2.26 -9.063178186e-01 
2.28 -1.423288305e+00 
2.30 -1.870518532e+00 
2.32 -2.255845757e+00 
2.34 -2.586893664e+00 
2.36 -2.869225830e+00 
2.38 -3.107917425e+00 
2.40 -3.307889627e+00 
2.42 -3.478495595e+00 
2.44 -3.618356394e+00 
2.46 -3.730067772e+00 
2.48 -3.816957298e+00 
2.50 -3.882065146e+00 
2.52 -3.928034105e+00 
2.54 -3.956998779e+00 
2.56 -3.971031981e+00 
2.58 -3.971965508e+00 
2.60 -3.961416401e+00 
2.62 -3.941023381e+00 
2.64 -3.911788294e+00 
2.66 -3.874804814e+00 
2.68 -3.831057368e+00 
2.70 -3.781410309e+00 
2.72 -3.726622914e+00 
2.74 -3.667358507e+00 
2.76 -3.604211316e+00 
2.78 -3.537702588e+00 
2.80 -3.468282391e+00 
2.82 -3.396379111e+00 
2.84 -3.322366649e+00 
2.86 -3.246582124e+00 
2.88 -3.170145847e+00 
2.90 -3.092429323e+00 
2.92 -3.013653334e+00 
2.94 -2.934084499e+00 
2.96 -2.853970921e+00 
2.98 -2.773544179e+00 
3.00 -2.693020776e+00 
3.02 -2.612822262e+00 
3.04 -2.532919061e+00 
3.06 -2.453447931e+00 
3.08 -2.374592417e+00 
3.10 -2.296473637e+00 
3.12 -2.219240767e+00 
3.14 -2.143028421e+00 
3.16 -2.067957105e+00 
3.18 -1.994193706e+00 
3.20 -1.921762587e+00 
3.22 -1.850743860e+00 
3.24 -1.781209336e+00 
3.26 -1.713219521e+00 
3.28 -1.646824432e+00 
3.30 -1.582064435e+00 
3.32 -1.518971093e+00 
3.34 -1.457568006e+00 
3.36 -1.397871634e+00 
3.38 -1.339892079e+00 
3.40 -1.283633813e+00 
3.42 -1.229095811e+00 
3.44 -1.176273549e+00 
3.46 -1.125158715e+00 
3.48 -1.075739223e+00 
3.50 -1.027999981e+00 
3.52 -9.819230967e-01 
3.54 -9.374882257e-01 
3.56 -8.946730248e-01 
3.58 -8.534527781e-01 
3.60 -8.138007182e-01 
3.62 -7.756881015e-01 
3.64 -7.390842701e-01 
3.66 -7.039567089e-01 
3.68 -6.702755762e-01 
3.70 -6.383396414e-01 
3.72 -6.077000866e-01 
3.74 -5.783302260e-01 
3.76 -5.501997781e-01 
3.78 -5.234100106e-01 
3.80 -4.977753156e-01 
3.82 -4.732562536e-01 
3.84 -4.498158967e-01 
3.86 -4.274158642e-01 
3.88 -4.060167170e-01 
3.90 -3.855783445e-01 
3.92 -3.660603353e-01 
3.94 -3.474223301e-01 
3.96 -3.296243502e-01 
3.98 -3.126270989e-01 
4.00 -2.963922326e-01 
4.02 -2.808825997e-01 
4.04 -2.660624442e-01 
4.06 -2.518975757e-01 
4.08 -2.383555029e-01 
4.10 -2.254055327e-01 
4.12 -2.130188351e-01 
4.14 -2.011684761e-01 
4.16 -1.898294195e-01 
4.18 -1.789785018e-01 
4.20 -1.685943807e-01 
4.22 -1.586574620e-01 
4.24 -1.491498071e-01 
4.26 -1.400550246e-01 
4.28 -1.313581496e-01 
4.30 -1.230455134e-01 
4.32 -1.151134325e-01 
4.34 -1.076065478e-01 
4.36 -1.004345975e-01 
4.38 -9.359003097e-02 
4.40 -8.706559903e-02 
4.42 -8.085425823e-02 
4.44 -7.494908421e-02 
4.46 -6.934319282e-02 
4.48 -6.402967011e-02 
4.50 -5.900151199e-02 
4.52 -5.425157402e-02 
4.54 -4.977253168e-02 
4.56 -4.555685101e-02 
4.58 -4.159676962e-02 
4.60 -3.788428750e-02 
4.62 -3.450558481e-02 
4.64 -3.154822103e-02 
4.66 -2.877123708e-02 
4.68 -2.617068650e-02 
4.70 -2.374196898e-02 
4.72 -2.147990418e-02 
4.74 -1.937880745e-02 
4.76 -1.743256613e-02 
4.78 -1.563471555e-02 
4.80 -1.397851351e-02 
4.82 -1.245700374e-02 
4.84 -1.106280181e-02 
4.86 -9.789111879e-03 
4.88 -8.628763762e-03 
4.90 -7.574633651e-03 
4.92 -6.619694878e-03 
4.94 -5.757063233e-03 
4.96 -4.980036728e-03 
4.98 -4.282129784e-03 
5.00 -3.657101903e-03 
5.02 -3.098980988e-03 
5.04 -2.602081523e-03 
5.06 -2.161017914e-03 
5.08 -1.770713300e-03 
5.10 -1.426404223e-03 
5.12 -1.123641539e-03 
5.14 -8.582879879e-04 
5.16 -6.265128345e-04 
5.18 -4.247839959e-04 
5.20 -2.498580639e-04 
5.22 -2.012645933e-04 
5.24 -1.817179897e-04 
5.26 -1.638366774e-04 
5.28 -1.475004209e-04 
5.30 -1.325957285e-04 
5.32 -1.190156405e-04 
5.34 -1.066595091e-04 
5.36 -9.543277265e-05 
5.38 -8.524672500e-05 
5.40 -7.601828152e-05 
5.42 -6.766974326e-05 
5.44 -6.012856038e-05 
5.46 -5.332709584e-05 
5.48 -4.720239066e-05 
5.50 -4.169593149e-05 
5.52 -3.675342155e-05 
5.54 -3.232455549e-05 
5.56 -2.836279923e-05 
5.58 -2.482517497e-05 
5.60 -2.167205229e-05 
5.62 -1.886694558e-05 
5.64 -1.637631822e-05 
5.66 -1.416939390e-05 
5.68 -1.221797520e-05 
5.70 -1.049626976e-05 
5.72 -8.980724054e-06 
5.74 -7.649864837e-06 
5.76 -6.484148363e-06 
5.78 -5.465817269e-06 
5.80 -4.578765088e-06 
5.82 -3.808408278e-06 
5.84 -3.141565630e-06 
5.86 -2.566344875e-06 
5.88 -2.072036310e-06 
5.90 -1.649013223e-06 
5.92 -1.288638876e-06 
5.94 -9.831798184e-07 
5.96 -7.257252465e-07 
5.98 -5.101121716e-07 
6.00 -3.308561035e-07