# 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 = BrNa2
# 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  3.858649426e+03 
1.12  nan             
1.14  nan             
1.16  2.478677264e+03 
1.18  2.149701714e+03 
1.20  1.869189043e+03 
1.22  1.628872566e+03 
1.24  1.423369597e+03 
1.26  1.246187960e+03 
1.28  1.093382546e+03 
1.30  9.610025469e+02 
1.32  8.463729734e+02 
1.34  7.466960527e+02 
1.36  6.599790847e+02 
1.38  5.843281399e+02 
1.40  5.180875679e+02 
1.42  4.601879523e+02 
1.44  4.092960499e+02 
1.46  3.644599057e+02 
1.48  3.250056287e+02 
1.50  2.901407151e+02 
1.52  2.592738604e+02 
1.54  2.319602065e+02 
1.56  2.077632668e+02 
1.58  1.862292482e+02 
1.60  1.670482132e+02 
1.62  1.499695393e+02 
1.64  1.347458817e+02 
1.66  1.211233826e+02 
1.68  1.089225263e+02 
1.70  9.798442300e+01 
1.72  8.818473063e+01 
1.74  7.938244031e+01 
1.76  7.146968760e+01 
1.78  6.435128506e+01 
1.80  5.794423285e+01 
1.82  5.218110164e+01 
1.84  4.701244781e+01 
1.86  4.234328236e+01 
1.88  3.812216574e+01 
1.90  3.430486882e+01 
1.92  3.085254481e+01 
1.94  2.772870985e+01 
1.96  2.490503188e+01 
1.98  2.235499624e+01 
2.00  2.004072126e+01 
2.02  1.793955492e+01 
2.04  1.603077581e+01 
2.06  1.429427747e+01 
2.08  1.271323168e+01 
2.10  1.127444546e+01 
2.12  9.963944865e+00 
2.14  8.771912034e+00 
2.16  7.685918258e+00 
2.18  6.694439299e+00 
2.20  5.788840148e+00 
2.22  4.961391053e+00 
2.24  4.205165690e+00 
2.26  3.513949780e+00 
2.28  2.882173446e+00 
2.30  2.304381511e+00 
2.32  1.776476324e+00 
2.34  1.294439908e+00 
2.36  8.546488876e-01 
2.38  4.562880721e-01 
2.40  9.286401855e-02 
2.42 -2.384453711e-01 
2.44 -5.404023895e-01 
2.46 -8.150404596e-01 
2.48 -1.064273707e+00 
2.50 -1.290067467e+00 
2.52 -1.494653667e+00 
2.54 -1.679196533e+00 
2.56 -1.845226443e+00 
2.58 -1.994087206e+00 
2.60 -2.127088119e+00 
2.62 -2.245428750e+00 
2.64 -2.350188316e+00 
2.66 -2.442400057e+00 
2.68 -2.522990980e+00 
2.70 -2.592852563e+00 
2.72 -2.654429656e+00 
2.74 -2.706407813e+00 
2.76 -2.749430951e+00 
2.78 -2.784240934e+00 
2.80 -2.811480010e+00 
2.82 -2.831784745e+00 
2.84 -2.845554871e+00 
2.86 -2.853277829e+00 
2.88 -2.855400624e+00 
2.90 -2.852343817e+00 
2.92 -2.844506671e+00 
2.94 -2.832254319e+00 
2.96 -2.815928283e+00 
2.98 -2.795882506e+00 
3.00 -2.772433163e+00 
3.02 -2.745787212e+00 
3.04 -2.716216437e+00 
3.06 -2.683976010e+00 
3.08 -2.649305861e+00 
3.10 -2.612431900e+00 
3.12 -2.573567132e+00 
3.14 -2.532912637e+00 
3.16 -2.490658472e+00 
3.18 -2.446984459e+00 
3.20 -2.402060902e+00 
3.22 -2.356012938e+00 
3.24 -2.309102855e+00 
3.26 -2.261461094e+00 
3.28 -2.213148100e+00 
3.30 -2.164298087e+00 
3.32 -2.115037944e+00 
3.34 -2.065491833e+00 
3.36 -2.015774643e+00 
3.38 -1.965979760e+00 
3.40 -1.916213412e+00 
3.42 -1.866569676e+00 
3.44 -1.817136183e+00 
3.46 -1.767994334e+00 
3.48 -1.719219338e+00 
3.50 -1.670880235e+00 
3.52 -1.623039940e+00 
3.54 -1.575755287e+00 
3.56 -1.529077105e+00 
3.58 -1.483050324e+00 
3.60 -1.437714111e+00 
3.62 -1.393102054e+00 
3.64 -1.349242385e+00 
3.66 -1.306158241e+00 
3.68 -1.263867974e+00 
3.70 -1.222385487e+00 
3.72 -1.181720229e+00 
3.74 -1.141878604e+00 
3.76 -1.102863720e+00 
3.78 -1.064675613e+00 
3.80 -1.027311906e+00 
3.82 -9.907682260e-01 
3.84 -9.550386061e-01 
3.86 -9.201158637e-01 
3.88 -8.859919528e-01 
3.90 -8.526582803e-01 
3.92 -8.201059864e-01 
3.94 -7.883261835e-01 
3.96 -7.573403398e-01 
3.98 -7.272337408e-01 
4.00 -6.978437984e-01 
4.02 -6.691679284e-01 
4.04 -6.412034549e-01 
4.06 -6.139476878e-01 
4.08 -5.873979679e-01 
4.10 -5.615516827e-01 
4.12 -5.364062579e-01 
4.14 -5.119591290e-01 
4.16 -4.882076962e-01 
4.18 -4.651492685e-01 
4.20 -4.427809986e-01 
4.22 -4.212102441e-01 
4.24 -4.003354903e-01 
4.26 -3.801138463e-01 
4.28 -3.605457929e-01 
4.30 -3.416306332e-01 
4.32 -3.233665197e-01 
4.34 -3.057504837e-01 
4.36 -2.887784679e-01 
4.38 -2.724453613e-01 
4.40 -2.567450364e-01 
4.42 -2.416703893e-01 
4.44 -2.272133819e-01 
4.46 -2.133650858e-01 
4.48 -2.001157296e-01 
4.50 -1.874547464e-01 
4.52 -1.753708244e-01 
4.54 -1.638519580e-01 
4.56 -1.528851446e-01 
4.58 -1.424575483e-01 
4.60 -1.325554106e-01 
4.62 -1.231644899e-01 
4.64 -1.142701262e-01 
4.66 -1.058572975e-01 
4.68 -9.791067583e-02 
4.70 -9.041468386e-02 
4.72 -8.335354999e-02 
4.74 -7.671136315e-02 
4.76 -7.047144953e-02 
4.78 -6.461745694e-02 
4.80 -5.913458636e-02 
4.82 -5.400686952e-02 
4.84 -4.921845189e-02 
4.86 -4.475363706e-02 
4.88 -4.059692866e-02 
4.90 -3.673306973e-02 
4.92 -3.314707931e-02 
4.94 -2.982428625e-02 
4.96 -2.675036004e-02 
4.98 -2.391133865e-02 
5.00 -2.129365335e-02 
5.02 -1.888415040e-02 
5.04 -1.667010980e-02 
5.06 -1.463926087e-02 
5.08 -1.277979493e-02 
5.10 -1.108037513e-02 
5.12 -9.530143341e-03 
5.14 -8.118724429e-03 
5.16 -6.836282914e-03 
5.18 -6.038580707e-03 
5.20 -5.371959596e-03 
5.22 -4.763931847e-03 
5.24 -4.210483829e-03 
5.26 -3.707761806e-03 
5.28 -3.252077844e-03 
5.30 -2.839914090e-03 
5.32 -2.467925523e-03 
5.34 -2.132941273e-03 
5.36 -1.831964637e-03 
5.38 -1.562171909e-03 
5.40 -1.320910132e-03 
5.42 -1.105693898e-03 
5.44 -9.142013227e-04 
5.46 -7.442692975e-04 
5.48 -5.938881423e-04 
5.50 -4.611957575e-04 
5.52 -3.444713839e-04 
5.54 -2.421290610e-04 
5.56 -1.527108753e-04 
5.58 -7.488007683e-05 
5.60 -2.164122047e-05 
5.62 -1.972191369e-05 
5.64 -1.794906981e-05 
5.66 -1.631336157e-05 
5.68 -1.480591272e-05 
5.70 -1.341828698e-05 
5.72 -1.214247644e-05 
5.74 -1.097088937e-05 
5.76 -9.896337817e-06 
5.78 -8.912024674e-06 
5.80 -8.011530638e-06 
5.82 -7.188800888e-06 
5.84 -6.438131652e-06 
5.86 -5.754156694e-06 
5.88 -5.131833785e-06 
5.90 -4.566431189e-06 
5.92 -4.053514247e-06 
5.94 -3.588932065e-06 
5.96 -3.168804378e-06 
5.98 -2.789508609e-06 
6.00 -2.447667163e-06