# 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 = Br2Rb
# 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  nan             
1.22  nan             
1.24  1.155566524e+07 
1.26  9.101958294e+06 
1.28  7.195892461e+06 
1.30  5.709432925e+06 
1.32  4.545802789e+06 
1.34  3.631536773e+06 
1.36  2.910633004e+06 
1.38  2.340229921e+06 
1.40  1.887392397e+06 
1.42  1.526718442e+06 
1.44  1.238541268e+06 
1.46  1.007581405e+06 
1.48  8.219259295e+05 
1.50  6.722550797e+05 
1.52  5.512541561e+05 
1.54  4.531628839e+05 
1.56  3.734317028e+05 
1.58  3.084560272e+05 
1.60  2.553712123e+05 
1.62  2.118946131e+05 
1.64  1.762020670e+05 
1.66  1.468314515e+05 
1.68  1.226081382e+05 
1.70  1.025859409e+05 
1.72  8.600051985e+04 
1.74  7.223307508e+04 
1.76  6.078141496e+04 
1.78  5.123709173e+04 
1.80  4.326687980e+04 
1.82  3.659851577e+04 
1.84  3.100903090e+04 
1.86  2.631543174e+04 
1.88  2.236723034e+04 
1.90  1.904029480e+04 
1.92  1.623217282e+04 
1.94  1.385808813e+04 
1.96  1.184775692e+04 
1.98  1.014281512e+04 
2.00  8.694666544e+03 
2.02  7.462813071e+03 
2.04  6.413438986e+03 
2.06  5.518254979e+03 
2.08  4.753557156e+03 
2.10  4.099464576e+03 
2.12  3.539257527e+03 
2.14  3.058829531e+03 
2.16  2.646307955e+03 
2.18  2.291666161e+03 
2.20  1.986424051e+03 
2.22  1.723399165e+03 
2.24  1.496499257e+03 
2.26  1.300556501e+03 
2.28  1.131168541e+03 
2.30  9.845788022e+02 
2.32  8.575919055e+02 
2.34  7.474795575e+02 
2.36  6.519093864e+02 
2.38  5.688849671e+02 
2.40  4.966957921e+02 
2.42  4.338739990e+02 
2.44  3.791583371e+02 
2.46  3.314668325e+02 
2.48  2.898667036e+02 
2.50  2.535513129e+02 
2.52  2.218269296e+02 
2.54  1.940945121e+02 
2.56  1.698362159e+02 
2.58  1.486039410e+02 
2.60  1.300094074e+02 
2.62  1.137161933e+02 
2.64  9.943242923e+01 
2.66  8.690442891e+01 
2.68  7.591089322e+01 
2.70  6.626099983e+01 
2.72  5.778801669e+01 
2.74  5.034845262e+01 
2.76  4.381200171e+01 
2.78  3.806774067e+01 
2.80  3.301883058e+01 
2.82  2.858063145e+01 
2.84  2.467909133e+01 
2.86  2.124939249e+01 
2.88  1.823475329e+01 
2.90  1.558533293e+01 
2.92  1.325745465e+01 
2.94  1.121278354e+01 
2.96  9.417654659e+00 
2.98  7.842420785e+00 
3.00  6.461047540e+00 
3.02  5.250863284e+00 
3.04  4.191691475e+00 
3.06  3.265787598e+00 
3.08  2.457543236e+00 
3.10  1.753439800e+00 
3.12  1.141477047e+00 
3.14  6.104521164e-01 
3.16  1.509859924e-01 
3.18 -2.452697072e-01 
3.20 -5.856689419e-01 
3.22 -8.766765438e-01 
3.24 -1.124051956e+00 
3.26 -1.332896381e+00 
3.28 -1.507731895e+00 
3.30 -1.652570771e+00 
3.32 -1.770976161e+00 
3.34 -1.866115210e+00 
3.36 -1.940805505e+00 
3.38 -1.997548564e+00 
3.40 -2.038587945e+00 
3.42 -2.065916337e+00 
3.44 -2.081389751e+00 
3.46 -2.086636449e+00 
3.48 -2.082895533e+00 
3.50 -2.071439000e+00 
3.52 -2.053398695e+00 
3.54 -2.029786399e+00 
3.56 -2.001498541e+00 
3.58 -1.969330565e+00 
3.60 -1.933986882e+00 
3.62 -1.896088818e+00 
3.64 -1.856183709e+00 
3.66 -1.814751564e+00 
3.68 -1.772211518e+00 
3.70 -1.728866234e+00 
3.72 -1.685063613e+00 
3.74 -1.641118664e+00 
3.76 -1.597258567e+00 
3.78 -1.553674833e+00 
3.80 -1.510527136e+00 
3.82 -1.467946848e+00 
3.84 -1.426040308e+00 
3.86 -1.384891831e+00 
3.88 -1.344566476e+00 
3.90 -1.305109431e+00 
3.92 -1.266558255e+00 
3.94 -1.228934545e+00 
3.96 -1.192249387e+00 
3.98 -1.156505133e+00 
4.00 -1.121696907e+00 
4.02 -1.087813937e+00 
4.04 -1.054840721e+00 
4.06 -1.022758041e+00 
4.08 -9.915438435e-01 
4.10 -9.611739812e-01 
4.12 -9.316228527e-01 
4.14 -9.028639327e-01 
4.16 -8.748702133e-01 
4.18 -8.476145678e-01 
4.20 -8.210700453e-01 
4.22 -7.954222877e-01 
4.24 -7.704531623e-01 
4.26 -7.460653815e-01 
4.28 -7.222437769e-01 
4.30 -6.989727562e-01 
4.32 -6.762365309e-01 
4.34 -6.540193160e-01 
4.36 -6.323055055e-01 
4.38 -6.110798257e-01 
4.40 -5.903274677e-01 
4.42 -5.700342015e-01 
4.44 -5.501864735e-01 
4.46 -5.307714884e-01 
4.48 -5.117772763e-01 
4.50 -4.932557152e-01 
4.52 -4.751433619e-01 
4.54 -4.574063805e-01 
4.56 -4.400389321e-01 
4.58 -4.230358243e-01 
4.60 -4.063925440e-01 
4.62 -3.901052774e-01 
4.64 -3.741709181e-01 
4.66 -3.585870632e-01 
4.68 -3.433519967e-01 
4.70 -3.284646629e-01 
4.72 -3.139246276e-01 
4.74 -2.997320304e-01 
4.76 -2.858869793e-01 
4.78 -2.723903155e-01 
4.80 -2.592444997e-01 
4.82 -2.464512939e-01 
4.84 -2.340126745e-01 
4.86 -2.219274803e-01 
4.88 -2.101998526e-01 
4.90 -1.988338503e-01 
4.92 -1.878313386e-01 
4.94 -1.771939596e-01 
4.96 -1.669224693e-01 
4.98 -1.570183023e-01 
5.00 -1.474821112e-01 
5.02 -1.383138465e-01 
5.04 -1.295128711e-01 
5.06 -1.210779091e-01 
5.08 -1.130070048e-01 
5.10 -1.052974899e-01 
5.12 -9.794596219e-02 
5.14 -9.094827262e-02 
5.16 -8.429952354e-02 
5.18 -7.799407578e-02 
5.20 -7.202556539e-02 
5.22 -6.638692900e-02 
5.24 -6.107043727e-02 
5.26 -5.606773581e-02 
5.28 -5.136989250e-02 
5.30 -4.696745050e-02 
5.32 -4.285048591e-02 
5.34 -3.900866908e-02 
5.36 -3.543132863e-02 
5.38 -3.210751719e-02 
5.40 -2.902607782e-02 
5.42 -2.617571028e-02 
5.44 -2.354503631e-02 
5.46 -2.112266296e-02 
5.48 -1.889724348e-02 
5.50 -1.685753493e-02 
5.52 -1.499245217e-02 
5.54 -1.329111754e-02 
5.56 -1.174290611e-02 
5.58 -1.033748615e-02 
5.60 -9.064854550e-03 
5.62 -7.915367281e-03 
5.64 -6.879764816e-03 
5.66 -5.949192562e-03 
5.68 -5.115216487e-03 
5.70 -4.369834129e-03 
5.72 -3.705481232e-03 
5.74 -3.115034315e-03 
5.76 -2.591809473e-03 
5.78 -2.129557787e-03 
5.80 -1.722457676e-03 
5.82 -1.365104586e-03 
5.84 -1.052498362e-03 
5.86 -7.800286963e-04 
5.88 -5.434589765e-04 
5.90 -3.389088970e-04 
5.92 -1.628361360e-04 
5.94 -1.201740180e-05 
5.96  3.468790186e-05 
5.98  3.198220753e-05 
6.00  2.945446267e-05