# 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 = BrCs2
# 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  nan             
1.26  nan             
1.28  nan             
1.30  1.032210361e+06 
1.32  8.515944308e+05 
1.34  7.045736400e+05 
1.36  5.845356613e+05 
1.38  4.862398658e+05 
1.40  4.055184336e+05 
1.42  3.390453548e+05 
1.44  2.841582721e+05 
1.46  2.387193658e+05 
1.48  2.010065115e+05 
1.50  1.696286313e+05 
1.52  1.434591435e+05 
1.54  1.215823539e+05 
1.56  1.032526631e+05 
1.58  8.786088352e+04 
1.60  7.490821042e+04 
1.62  6.398536953e+04 
1.64  5.475533138e+04 
1.66  4.694024818e+04 
1.68  4.031041970e+04 
1.70  3.467539802e+04 
1.72  2.987701733e+04 
1.74  2.578381019e+04 
1.76  2.228601817e+04 
1.78  1.929187046e+04 
1.80  1.672459430e+04 
1.82  1.451976471e+04 
1.84  1.262319027e+04 
1.86  1.098919694e+04 
1.88  9.579307180e+03 
1.90  8.361018673e+03 
1.92  7.306773201e+03 
1.94  6.393195090e+03 
1.96  5.600395757e+03 
1.98  4.911503026e+03 
2.00  4.312122088e+03 
2.02  3.789953166e+03 
2.04  3.334480294e+03 
2.06  2.936694901e+03 
2.08  2.588864447e+03 
2.10  2.284378723e+03 
2.12  2.017533479e+03 
2.14  1.783418271e+03 
2.16  1.577795887e+03 
2.18  1.397008263e+03 
2.20  1.237884149e+03 
2.22  1.097682550e+03 
2.24  9.740477440e+02 
2.26  8.649192967e+02 
2.28  7.685067393e+02 
2.30  6.832524352e+02 
2.32  6.077997173e+02 
2.34  5.409655529e+02 
2.36  4.817143329e+02 
2.38  4.291380703e+02 
2.40  3.824586448e+02 
2.42  3.409835994e+02 
2.44  3.041058711e+02 
2.46  2.712936353e+02 
2.48  2.420793498e+02 
2.50  2.160516222e+02 
2.52  1.928488584e+02 
2.54  1.721522292e+02 
2.56  1.536806297e+02 
2.58  1.371842083e+02 
2.60  1.224447727e+02 
2.62  1.092700856e+02 
2.64  9.748872164e+01 
2.66  8.694890351e+01 
2.68  7.751614376e+01 
2.70  6.907124864e+01 
2.72  6.150829997e+01 
2.74  5.473330093e+01 
2.76  4.866298249e+01 
2.78  4.322276184e+01 
2.80  3.834609954e+01 
2.82  3.397429946e+01 
2.84  3.005509702e+01 
2.86  2.653938528e+01 
2.88  2.338681212e+01 
2.90  2.056129665e+01 
2.92  1.802935239e+01 
2.94  1.576102408e+01 
2.96  1.372954282e+01 
2.98  1.191081687e+01 
3.00  1.028328245e+01 
3.02  8.827708541e+00 
3.04  7.526763316e+00 
3.06  6.364884954e+00 
3.08  5.328093424e+00 
3.10  4.403823439e+00 
3.12  3.580776123e+00 
3.14  2.848724516e+00 
3.16  2.198600626e+00 
3.18  1.622167222e+00 
3.20  1.112003302e+00 
3.22  6.614243187e-01 
3.24  2.644074758e-01 
3.26 -8.558616056e-02 
3.28 -3.924207523e-01 
3.30 -6.602108931e-01 
3.32 -8.929622412e-01 
3.34 -1.094293899e+00 
3.36 -1.267464094e+00 
3.38 -1.415391394e+00 
3.40 -1.540749273e+00 
3.42 -1.645928063e+00 
3.44 -1.733083136e+00 
3.46 -1.804158440e+00 
3.48 -1.860907051e+00 
3.50 -1.904909640e+00 
3.52 -1.937591071e+00 
3.54 -1.960235319e+00 
3.56 -1.973998886e+00 
3.58 -1.979922889e+00 
3.60 -1.978943940e+00 
3.62 -1.971903970e+00 
3.64 -1.959559110e+00 
3.66 -1.942587727e+00 
3.68 -1.921661413e+00 
3.70 -1.897264957e+00 
3.72 -1.869866446e+00 
3.74 -1.839901895e+00 
3.76 -1.807759784e+00 
3.78 -1.773785707e+00 
3.80 -1.738286613e+00 
3.82 -1.701531923e+00 
3.84 -1.663838726e+00 
3.86 -1.625336376e+00 
3.88 -1.586418711e+00 
3.90 -1.547064869e+00 
3.92 -1.507365492e+00 
3.94 -1.467456158e+00 
3.96 -1.427456112e+00 
3.98 -1.387470223e+00 
4.00 -1.347590748e+00 
4.02 -1.307898900e+00 
4.04 -1.268466247e+00 
4.06 -1.229355948e+00 
4.08 -1.190623841e+00 
4.10 -1.152319392e+00 
4.12 -1.114486520e+00 
4.14 -1.077164314e+00 
4.16 -1.040387645e+00 
4.18 -1.004187685e+00 
4.20 -9.685923518e-01 
4.22 -9.337327656e-01 
4.24 -8.995352779e-01 
4.26 -8.659839602e-01 
4.28 -8.331013870e-01 
4.30 -8.009074852e-01 
4.32 -7.694197432e-01 
4.34 -7.386533870e-01 
4.36 -7.086215270e-01 
4.38 -6.793352790e-01 
4.40 -6.508038646e-01 
4.42 -6.230346947e-01 
4.44 -5.960334383e-01 
4.46 -5.698040817e-01 
4.48 -5.443489800e-01 
4.50 -5.196689035e-01 
4.52 -4.957630821e-01 
4.54 -4.726292492e-01 
4.56 -4.502636865e-01 
4.58 -4.286612719e-01 
4.60 -4.078155306e-01 
4.62 -3.877186911e-01 
4.64 -3.683617456e-01 
4.66 -3.497343848e-01 
4.68 -3.318244118e-01 
4.70 -3.146207306e-01 
4.72 -2.981100737e-01 
4.74 -2.822783123e-01 
4.76 -2.671092119e-01 
4.78 -2.525865530e-01 
4.80 -2.386965255e-01 
4.82 -2.254223789e-01 
4.84 -2.127469434e-01 
4.86 -2.006527157e-01 
4.88 -1.891219429e-01 
4.90 -1.781367016e-01 
4.92 -1.676789753e-01 
4.94 -1.577307258e-01 
4.96 -1.482739605e-01 
4.98 -1.392907941e-01 
5.00 -1.307635058e-01 
5.02 -1.226745896e-01 
5.04 -1.150067995e-01 
5.06 -1.077431900e-01 
5.08 -1.008686251e-01 
5.10 -9.438517710e-02 
5.12 -8.825420870e-02 
5.14 -8.246056941e-02 
5.16 -7.698950417e-02 
5.18 -7.182666634e-02 
5.20 -6.695812699e-02 
5.22 -6.237038094e-02 
5.24 -5.805034988e-02 
5.26 -5.398538296e-02 
5.28 -5.016325530e-02 
5.30 -4.657216464e-02 
5.32 -4.320072656e-02 
5.34 -4.003796842e-02 
5.36 -3.707332245e-02 
5.38 -3.429661807e-02 
5.40 -3.169807368e-02 
5.42 -2.929050748e-02 
5.44 -2.704636667e-02 
5.46 -2.494803103e-02 
5.48 -2.298800694e-02 
5.50 -2.115903560e-02 
5.52 -1.945409647e-02 
5.54 -1.786640981e-02 
5.56 -1.638943834e-02 
5.58 -1.501688816e-02 
5.60 -1.374270876e-02 
5.62 -1.256109242e-02 
5.64 -1.146647276e-02 
5.66 -1.045352266e-02 
5.68 -9.517151579e-03 
5.70 -8.652502197e-03 
5.72 -7.854946582e-03 
5.74 -7.120081805e-03 
5.76 -6.443725121e-03 
5.78 -5.821908731e-03 
5.80 -5.250874185e-03 
5.82 -4.727066463e-03 
5.84 -4.247127791e-03 
5.86 -3.807891226e-03 
5.88 -3.406374055e-03 
5.90 -3.039771056e-03 
5.92 -2.705447653e-03 
5.94 -2.400933001e-03 
5.96 -2.123913051e-03 
5.98 -1.872223604e-03 
6.00 -1.643843407e-03