# 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 = Cl2Rb
# 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  nan             
1.10  nan             
1.12  nan             
1.14  nan             
1.16  nan             
1.18  nan             
1.20  8.910452680e+06 
1.22  6.915482701e+06 
1.24  5.389261996e+06 
1.26  4.216600485e+06 
1.28  3.311820912e+06 
1.30  2.610897783e+06 
1.32  2.065767014e+06 
1.34  1.640186087e+06 
1.36  1.306710567e+06 
1.38  1.044469983e+06 
1.40  8.375304332e+05 
1.42  6.736785474e+05 
1.44  5.435173425e+05 
1.46  4.397899594e+05 
1.48  3.568718649e+05 
1.50  2.903888765e+05 
1.52  2.369271219e+05 
1.54  1.938136531e+05 
1.56  1.589490894e+05 
1.58  1.306789184e+05 
1.60  1.076955193e+05 
1.62  8.896237428e+04 
1.64  7.365538077e+04 
1.66  6.111745717e+04 
1.68  5.082331954e+04 
1.70  4.235193761e+04 
1.72  3.536482290e+04 
1.74  2.958921819e+04 
1.76  2.480482816e+04 
1.78  2.083325845e+04 
1.80  1.752971838e+04 
1.82  1.477633933e+04 
1.84  1.247704701e+04 
1.86  1.055331588e+04 
1.88  8.940830674e+03 
1.90  7.586808170e+03 
1.92  6.447804936e+03 
1.94  5.488035000e+03 
1.96  4.677939924e+03 
1.98  3.993059944e+03 
2.00  3.413119957e+03 
2.02  2.921298083e+03 
2.04  2.503553388e+03 
2.06  2.148201677e+03 
2.08  1.845488229e+03 
2.10  1.587252085e+03 
2.12  1.366655430e+03 
2.14  1.177959613e+03 
2.16  1.016343926e+03 
2.18  8.777486024e+02 
2.20  7.587416375e+02 
2.22  6.564305123e+02 
2.24  5.683689861e+02 
2.26  4.924854080e+02 
2.28  4.270229323e+02 
2.30  3.704897786e+02 
2.32  3.216169100e+02 
2.34  2.793214842e+02 
2.36  2.426861690e+02 
2.38  2.109225537e+02 
2.40  1.833572484e+02 
2.42  1.594145589e+02 
2.44  1.386011619e+02 
2.46  1.204938073e+02 
2.48  1.047289585e+02 
2.50  9.099395712e+01 
2.52  7.901956344e+01 
2.54  6.857375170e+01 
2.56  5.945461066e+01 
2.58  5.149109666e+01 
2.60  4.453389472e+01 
2.62  3.845536153e+01 
2.64  3.314093212e+01 
2.66  2.849326408e+01 
2.68  2.442786073e+01 
2.70  2.087138082e+01 
2.72  1.775990406e+01 
2.74  1.503781652e+01 
2.76  1.265664697e+01 
2.78  1.057411190e+01 
2.80  8.753295341e+00 
2.82  7.161943798e+00 
2.84  5.771859381e+00 
2.86  4.558011749e+00 
2.88  3.499237443e+00 
2.90  2.576690537e+00 
2.92  1.773800580e+00 
2.94  1.076130601e+00 
2.96  4.709029259e-01 
2.98 -5.278993496e-02 
3.00 -5.051278582e-01 
3.02 -8.944149262e-01 
3.04 -1.228121001e+00 
3.06 -1.512791930e+00 
3.08 -1.754167537e+00 
3.10 -1.957285472e+00 
3.12 -2.126572547e+00 
3.14 -2.265924956e+00 
3.16 -2.378778591e+00 
3.18 -2.468196241e+00 
3.20 -2.536868975e+00 
3.22 -2.587150649e+00 
3.24 -2.621179001e+00 
3.26 -2.640867201e+00 
3.28 -2.647927424e+00 
3.30 -2.644358482e+00 
3.32 -2.631109892e+00 
3.34 -2.609335813e+00 
3.36 -2.580217836e+00 
3.38 -2.544828510e+00 
3.40 -2.504142151e+00 
3.42 -2.459043750e+00 
3.44 -2.410336287e+00 
3.46 -2.358746750e+00 
3.48 -2.304931126e+00 
3.50 -2.249486306e+00 
3.52 -2.192939805e+00 
3.54 -2.135735950e+00 
3.56 -2.078292834e+00 
3.58 -2.020973510e+00 
3.60 -1.964082740e+00 
3.62 -1.907878106e+00 
3.64 -1.852573317e+00 
3.66 -1.798341649e+00 
3.68 -1.745319503e+00 
3.70 -1.693610061e+00 
3.72 -1.643286959e+00 
3.74 -1.594397952e+00 
3.76 -1.546968489e+00 
3.78 -1.501003403e+00 
3.80 -1.456493887e+00 
3.82 -1.413420428e+00 
3.84 -1.371751384e+00 
3.86 -1.331447664e+00 
3.88 -1.292464835e+00 
3.90 -1.254754923e+00 
3.92 -1.218267901e+00 
3.94 -1.182952891e+00 
3.96 -1.148759089e+00 
3.98 -1.115636468e+00 
4.00 -1.083536252e+00 
4.02 -1.052411233e+00 
4.04 -1.022831105e+00 
4.06 -9.940841341e-01 
4.08 -9.660503585e-01 
4.10 -9.387141466e-01 
4.12 -9.120575367e-01 
4.14 -8.860605580e-01 
4.16 -8.607015352e-01 
4.18 -8.359573801e-01 
4.20 -8.118038710e-01 
4.22 -7.882159202e-01 
4.24 -7.651678322e-01 
4.26 -7.426335523e-01 
4.28 -7.205869090e-01 
4.30 -6.990018478e-01 
4.32 -6.778526603e-01 
4.34 -6.571142071e-01 
4.36 -6.367621340e-01 
4.38 -6.167730829e-01 
4.40 -5.971248949e-01 
4.42 -5.777968043e-01 
4.44 -5.587696232e-01 
4.46 -5.400259131e-01 
4.48 -5.215501418e-01 
4.50 -5.033917916e-01 
4.52 -4.854862676e-01 
4.54 -4.677998949e-01 
4.56 -4.503283601e-01 
4.58 -4.330693990e-01 
4.60 -4.160228463e-01 
4.62 -3.991904921e-01 
4.64 -3.825757352e-01 
4.66 -3.661891658e-01 
4.68 -3.500348082e-01 
4.70 -3.341225672e-01 
4.72 -3.184640209e-01 
4.74 -3.030722338e-01 
4.76 -2.879615411e-01 
4.78 -2.731473093e-01 
4.80 -2.586456778e-01 
4.82 -2.444732846e-01 
4.84 -2.306469831e-01 
4.86 -2.171835543e-01 
4.88 -2.040994199e-01 
4.90 -1.914103624e-01 
4.92 -1.791312566e-01 
4.94 -1.672758186e-01 
4.96 -1.558557497e-01 
4.98 -1.448823131e-01 
5.00 -1.343646525e-01 
5.02 -1.243098095e-01 
5.04 -1.147228008e-01 
5.06 -1.056065412e-01 
5.08 -9.696180200e-02 
5.10 -8.878720347e-02 
5.12 -8.107924081e-02 
5.14 -7.383234173e-02 
5.16 -6.703895321e-02 
5.18 -6.068965441e-02 
5.20 -5.477329263e-02 
5.22 -4.927713860e-02 
5.24 -4.418705720e-02 
5.26 -3.948768975e-02 
5.28 -3.516264401e-02 
5.30 -3.119468786e-02 
5.32 -2.756594320e-02 
5.34 -2.425807662e-02 
5.36 -2.125248367e-02 
5.38 -1.853046426e-02 
5.40 -1.607338662e-02 
5.42 -1.386283817e-02 
5.44 -1.188076175e-02 
5.46 -1.010957618e-02 
5.48 -8.532280708e-03 
5.50 -7.132542853e-03 
5.52 -5.894770088e-03 
5.54 -4.804165581e-03 
5.56 -3.846768825e-03 
5.58 -3.009482059e-03 
5.60 -2.280083618e-03 
5.62 -1.647229435e-03 
5.64 -1.100444048e-03 
5.66 -6.301024830e-04 
5.68 -2.274043892e-04 
5.70 -6.174417849e-05 
5.72 -5.771788019e-05 
5.74 -5.390953437e-05 
5.76 -5.031031128e-05 
5.78 -4.691154900e-05 
5.80 -4.370476265e-05 
5.82 -4.068165261e-05 
5.84 -3.783411194e-05 
5.86 -3.515423274e-05 
5.88 -3.263431181e-05 
5.90 -3.026685534e-05 
5.92 -2.804458284e-05 
5.94 -2.596043026e-05 
5.96 -2.400755235e-05 
5.98 -2.217932429e-05 
6.00 -2.046934267e-05