# 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 = BrRb2
# 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  1.155584946e+07 
1.26  9.102131687e+06 
1.28  7.196055673e+06 
1.30  5.709586565e+06 
1.32  4.545947454e+06 
1.34  3.631673050e+06 
1.36  2.910761372e+06 
1.38  2.340350837e+06 
1.40  1.887506303e+06 
1.42  1.526825743e+06 
1.44  1.238642357e+06 
1.46  1.007676657e+06 
1.48  8.220156751e+05 
1.50  6.723396449e+05 
1.52  5.513338526e+05 
1.54  4.532380080e+05 
1.56  3.735025182e+05 
1.58  3.085227855e+05 
1.60  2.554341657e+05 
1.62  2.119539902e+05 
1.64  1.762580706e+05 
1.66  1.468842813e+05 
1.68  1.226579867e+05 
1.70  1.026329861e+05 
1.72  8.604493038e+04 
1.74  7.227500842e+04 
1.76  6.082101749e+04 
1.78  5.127449525e+04 
1.80  4.330221304e+04 
1.82  3.663190169e+04 
1.84  3.104057848e+04 
1.86  2.634524216e+04 
1.88  2.239539459e+04 
1.90  1.906690327e+04 
1.92  1.625730993e+04 
1.94  1.388183309e+04 
1.96  1.187018557e+04 
1.98  1.016399715e+04 
2.00  8.714669871e+03 
2.02  7.481700580e+03 
2.04  6.431269926e+03 
2.06  5.535086657e+03 
2.08  4.769444540e+03 
2.10  4.114459243e+03 
2.12  3.553408364e+03 
2.14  3.072184689e+03 
2.16  2.658913379e+03 
2.18  2.303565335e+03 
2.20  1.997658298e+03 
2.22  1.734007636e+03 
2.24  1.506519074e+03 
2.26  1.310021686e+03 
2.28  1.140112085e+03 
2.30  9.930323921e+02 
2.32  8.655852636e+02 
2.34  7.550405687e+02 
2.36  6.590640801e+02 
2.38  5.756575581e+02 
2.40  5.031088995e+02 
2.42  4.399484874e+02 
2.44  3.849138675e+02 
2.46  3.369212756e+02 
2.48  2.950364250e+02 
2.50  2.584517486e+02 
2.52  2.264724696e+02 
2.54  1.984985695e+02 
2.56  1.740113199e+02 
2.58  1.525618257e+02 
2.60  1.337609422e+02 
2.62  1.172716915e+02 
2.64  1.028017831e+02 
2.66  9.009702065e+01 
2.68  7.893640335e+01 
2.70  6.912762061e+01 
2.72  6.050356343e+01 
2.74  5.292012417e+01 
2.76  4.624725974e+01 
2.78  4.037366139e+01 
2.80  3.520219311e+01 
2.82  3.064795167e+01 
2.84  2.663653807e+01 
2.86  2.310256835e+01 
2.88  1.998953702e+01 
2.90  1.724733819e+01 
2.92  1.483201357e+01 
2.94  1.270495308e+01 
2.96  1.083222179e+01 
2.98  9.183940737e+00 
3.00  7.733829908e+00 
3.02  6.458837928e+00 
3.04  5.338583066e+00 
3.06  4.355098905e+00 
3.08  3.492539836e+00 
3.10  2.737104915e+00 
3.12  2.076521379e+00 
3.14  1.499519540e+00 
3.16  9.965150257e-01 
3.18  5.589439313e-01 
3.20  1.792840689e-01 
3.22 -1.490437359e-01 
3.24 -4.319400230e-01 
3.26 -6.746309054e-01 
3.28 -8.817476894e-01 
3.30 -1.057396975e+00 
3.32 -1.205222382e+00 
3.34 -1.328458905e+00 
3.36 -1.429980763e+00 
3.38 -1.512329285e+00 
3.40 -1.577795209e+00 
3.42 -1.628403460e+00 
3.44 -1.665958106e+00 
3.46 -1.692067990e+00 
3.48 -1.708168770e+00 
3.50 -1.715541940e+00 
3.52 -1.715331566e+00 
3.54 -1.708562073e+00 
3.56 -1.696147355e+00 
3.58 -1.678903878e+00 
3.60 -1.657560811e+00 
3.62 -1.632767990e+00 
3.64 -1.605104916e+00 
3.66 -1.575087196e+00 
3.68 -1.543293342e+00 
3.70 -1.509958386e+00 
3.72 -1.475447832e+00 
3.74 -1.440108759e+00 
3.76 -1.404220154e+00 
3.78 -1.368025123e+00 
3.80 -1.331734300e+00 
3.82 -1.295528956e+00 
3.84 -1.259563874e+00 
3.86 -1.223969990e+00 
3.88 -1.188856830e+00 
3.90 -1.154314775e+00 
3.92 -1.120417143e+00 
3.94 -1.087222122e+00 
3.96 -1.054774547e+00 
3.98 -1.023107548e+00 
4.00 -9.922440540e-01 
4.02 -9.621981758e-01 
4.04 -9.329763574e-01 
4.06 -9.045782762e-01 
4.08 -8.769993881e-01 
4.10 -8.502299887e-01 
4.12 -8.242567535e-01 
4.14 -7.990634702e-01 
4.16 -7.746316825e-01 
4.18 -7.509412499e-01 
4.20 -7.279708302e-01 
4.22 -7.058043800e-01 
4.24 -6.843232227e-01 
4.26 -6.634685708e-01 
4.28 -6.432223380e-01 
4.30 -6.235660110e-01 
4.32 -6.044808736e-01 
4.34 -5.859481915e-01 
4.36 -5.679493596e-01 
4.38 -5.504660186e-01 
4.40 -5.334801440e-01 
4.42 -5.169741117e-01 
4.44 -5.009307458e-01 
4.46 -4.853333499e-01 
4.48 -4.701657276e-01 
4.50 -4.555381295e-01 
4.52 -4.413288361e-01 
4.54 -4.274739572e-01 
4.56 -4.139641707e-01 
4.58 -4.007900058e-01 
4.60 -3.879419105e-01 
4.62 -3.754103182e-01 
4.64 -3.631857093e-01 
4.66 -3.512586705e-01 
4.68 -3.396199505e-01 
4.70 -3.282605123e-01 
4.72 -3.171715812e-01 
4.74 -3.063446895e-01 
4.76 -2.957706228e-01 
4.78 -2.854411160e-01 
4.80 -2.753508037e-01 
4.82 -2.654927691e-01 
4.84 -2.558605606e-01 
4.86 -2.464468766e-01 
4.88 -2.372470433e-01 
4.90 -2.282568824e-01 
4.92 -2.194718799e-01 
4.94 -2.108880180e-01 
4.96 -2.025014756e-01 
4.98 -1.943094359e-01 
5.00 -1.863093742e-01 
5.02 -1.784991073e-01 
5.04 -1.708768530e-01 
5.06 -1.634411983e-01 
5.08 -1.561910654e-01 
5.10 -1.491256739e-01 
5.12 -1.422445015e-01 
5.14 -1.355472423e-01 
5.16 -1.290337645e-01 
5.18 -1.227040669e-01 
5.20 -1.165582353e-01 
5.22 -1.105963994e-01 
5.24 -1.048186908e-01 
5.26 -9.922520159e-02 
5.28 -9.381594557e-02 
5.30 -8.859082147e-02 
5.32 -8.354957871e-02 
5.34 -7.869178633e-02 
5.36 -7.401680516e-02 
5.38 -6.952376361e-02 
5.40 -6.521153709e-02 
5.42 -6.107873143e-02 
5.44 -5.712367023e-02 
5.46 -5.334438607e-02 
5.48 -4.973861582e-02 
5.50 -4.630379971e-02 
5.52 -4.303708409e-02 
5.54 -3.993532782e-02 
5.56 -3.699511184e-02 
5.58 -3.421275194e-02 
5.60 -3.158431414e-02 
5.62 -2.910563265e-02 
5.64 -2.677232990e-02 
5.66 -2.457983831e-02 
5.68 -2.252342359e-02 
5.70 -2.059820901e-02 
5.72 -1.879920051e-02 
5.74 -1.712131211e-02 
5.76 -1.555939151e-02 
5.78 -1.410824532e-02 
5.80 -1.276266394e-02 
5.82 -1.151744552e-02 
5.84 -1.036741904e-02 
5.86 -9.307466113e-03 
5.88 -8.332541437e-03 
5.90 -7.437691718e-03 
5.92 -6.618072957e-03 
5.94 -5.868966023e-03 
5.96 -5.199668891e-03 
5.98 -4.598480833e-03 
6.00 -4.051542033e-03