# 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 = Cl2Cs
# 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  3.365682402e+05 
1.26  2.799534494e+05 
1.28  2.335190503e+05 
1.30  1.953182537e+05 
1.32  1.637972624e+05 
1.34  1.377143471e+05 
1.36  1.160714054e+05 
1.38  9.806418921e+04 
1.40  8.304290698e+04 
1.42  7.048070787e+04 
1.44  5.994919725e+04 
1.46  5.109931426e+04 
1.48  4.364519391e+04 
1.50  3.735276943e+04 
1.52  3.202923760e+04 
1.54  2.751590802e+04 
1.56  2.368156793e+04 
1.58  2.041735509e+04 
1.60  1.763328422e+04 
1.62  1.525421440e+04 
1.64  1.321731450e+04 
1.66  1.147035188e+04 
1.68  9.969414821e+03 
1.70  8.677648123e+03 
1.72  7.564035093e+03 
1.74  6.602502615e+03 
1.76  5.770977458e+03 
1.78  5.050742169e+03 
1.80  4.425940343e+03 
1.82  3.883191291e+03 
1.84  3.411054544e+03 
1.86  2.999781277e+03 
1.88  2.641002510e+03 
1.90  2.327639896e+03 
1.92  2.053607187e+03 
1.94  1.813673259e+03 
1.96  1.603341401e+03 
1.98  1.418737393e+03 
2.00  1.256523783e+03 
2.02  1.113827776e+03 
2.04  9.881690006e+02 
2.06  8.774002273e+02 
2.08  7.796565601e+02 
2.10  6.933195992e+02 
2.12  6.169533623e+02 
2.14  5.493662986e+02 
2.16  4.894969862e+02 
2.18  4.364157253e+02 
2.20  3.893114541e+02 
2.22  3.474738655e+02 
2.24  3.102826848e+02 
2.26  2.771946686e+02 
2.28  2.477210082e+02 
2.30  2.214560245e+02 
2.32  1.980354512e+02 
2.34  1.771348844e+02 
2.36  1.584719140e+02 
2.38  1.417955428e+02 
2.40  1.268843460e+02 
2.42  1.135435758e+02 
2.44  1.016007071e+02 
2.46  9.090319646e+01 
2.48  8.131262694e+01 
2.50  7.271297988e+01 
2.52  6.499875340e+01 
2.54  5.807571178e+01 
2.56  5.185845915e+01 
2.58  4.627449963e+01 
2.60  4.125797788e+01 
2.62  3.674980445e+01 
2.64  3.269734712e+01 
2.66  2.905368446e+01 
2.68  2.577708032e+01 
2.70  2.283015392e+01 
2.72  2.017933563e+01 
2.74  1.779190396e+01 
2.76  1.564218149e+01 
2.78  1.370870311e+01 
2.80  1.196982189e+01 
2.82  1.040611946e+01 
2.84  9.000168730e+00 
2.86  7.735945031e+00 
2.88  6.599803663e+00 
2.90  5.579219307e+00 
2.92  4.662831777e+00 
2.94  3.840539435e+00 
2.96  3.103072004e+00 
2.98  2.442210041e+00 
3.00  1.850577777e+00 
3.02  1.321551210e+00 
3.04  8.491790539e-01 
3.06  4.281111096e-01 
3.08  5.353342286e-02 
3.10 -2.788903379e-01 
3.12 -5.739121314e-01 
3.14 -8.351141238e-01 
3.16 -1.064494100e+00 
3.18 -1.264995439e+00 
3.20 -1.439299707e+00 
3.22 -1.589849583e+00 
3.24 -1.718875665e+00 
3.26 -1.828419882e+00 
3.28 -1.920347189e+00 
3.30 -1.996828049e+00 
3.32 -2.058996194e+00 
3.34 -2.108210117e+00 
3.36 -2.145847948e+00 
3.38 -2.173178732e+00 
3.40 -2.191370668e+00 
3.42 -2.201498053e+00 
3.44 -2.204547137e+00 
3.46 -2.201421105e+00 
3.48 -2.192944375e+00 
3.50 -2.179866406e+00 
3.52 -2.162865192e+00 
3.54 -2.142550570e+00 
3.56 -2.119467496e+00 
3.58 -2.094099362e+00 
3.60 -2.066961072e+00 
3.62 -2.038319927e+00 
3.64 -2.008493725e+00 
3.66 -1.977758012e+00 
3.68 -1.946345202e+00 
3.70 -1.914448755e+00 
3.72 -1.882482863e+00 
3.74 -1.850367511e+00 
3.76 -1.818108714e+00 
3.78 -1.785788600e+00 
3.80 -1.753472581e+00 
3.82 -1.721212663e+00 
3.84 -1.689081283e+00 
3.86 -1.657061840e+00 
3.88 -1.625168607e+00 
3.90 -1.593415498e+00 
3.92 -1.561811976e+00 
3.94 -1.530364497e+00 
3.96 -1.499077644e+00 
3.98 -1.467954979e+00 
4.00 -1.436999659e+00 
4.02 -1.406214895e+00 
4.04 -1.376219077e+00 
4.06 -1.346348065e+00 
4.08 -1.316527845e+00 
4.10 -1.286787392e+00 
4.12 -1.257151961e+00 
4.14 -1.227643402e+00 
4.16 -1.198280469e+00 
4.18 -1.169079101e+00 
4.20 -1.140052700e+00 
4.22 -1.111212396e+00 
4.24 -1.082567307e+00 
4.26 -1.054124796e+00 
4.28 -1.025890723e+00 
4.30 -9.978696951e-01 
4.32 -9.700653146e-01 
4.34 -9.424804290e-01 
4.36 -9.151173746e-01 
4.38 -8.879782182e-01 
4.40 -8.610649937e-01 
4.42 -8.343799310e-01 
4.44 -8.079256761e-01 
4.46 -7.817054984e-01 
4.48 -7.557234820e-01 
4.50 -7.299847003e-01 
4.52 -7.044953673e-01 
4.54 -6.792629662e-01 
4.56 -6.542963495e-01 
4.58 -6.296058103e-01 
4.60 -6.052031210e-01 
4.62 -5.811013458e-01 
4.64 -5.573135776e-01 
4.66 -5.338577402e-01 
4.68 -5.107493523e-01 
4.70 -4.880093882e-01 
4.72 -4.656573696e-01 
4.74 -4.437136371e-01 
4.76 -4.221991339e-01 
4.78 -4.011351670e-01 
4.80 -3.805431517e-01 
4.82 -3.604443428e-01 
4.84 -3.408595599e-01 
4.86 -3.218089094e-01 
4.88 -3.033281790e-01 
4.90 -2.854311858e-01 
4.92 -2.681174717e-01 
4.94 -2.514021013e-01 
4.96 -2.352981574e-01 
4.98 -2.198165625e-01 
5.00 -2.049659298e-01 
5.02 -1.907524478e-01 
5.04 -1.771797983e-01 
5.06 -1.642491103e-01 
5.08 -1.519589497e-01 
5.10 -1.403053433e-01 
5.12 -1.292818371e-01 
5.14 -1.188795854e-01 
5.16 -1.090874700e-01 
5.18 -9.989224450e-02 
5.20 -9.127870144e-02 
5.22 -8.322985824e-02 
5.24 -7.572715762e-02 
5.26 -6.875067879e-02 
5.28 -6.227935514e-02 
5.30 -5.629119466e-02 
5.32 -5.076349916e-02 
5.34 -4.567307899e-02 
5.36 -4.099646002e-02 
5.38 -3.671008012e-02 
5.40 -3.279047286e-02 
5.42 -2.921443655e-02 
5.44 -2.595918708e-02 
5.46 -2.300249362e-02 
5.48 -2.032279657e-02 
5.50 -1.789930755e-02 
5.52 -1.571209166e-02 
5.54 -1.374213244e-02 
5.56 -1.197138027e-02 
5.58 -1.038278531e-02 
5.60 -8.960316086e-03 
5.62 -7.688965016e-03 
5.64 -6.554742370e-03 
5.66 -5.544660010e-03 
5.68 -4.646706444e-03 
5.70 -3.996981989e-03 
5.72 -3.523348287e-03 
5.74 -3.093183416e-03 
5.76 -2.703052013e-03 
5.78 -2.349740944e-03 
5.80 -2.030249766e-03 
5.82 -1.741781136e-03 
5.84 -1.481731203e-03 
5.86 -1.247680051e-03 
5.88 -1.037382217e-03 
5.90 -8.487573578e-04 
5.92 -6.798810724e-04 
5.94 -5.289759385e-04 
5.96 -3.944027757e-04 
5.98 -2.977826147e-04 
6.00 -2.766105952e-04