# 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 = F2Na
# 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 2024-11-27

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  8.890431006e+03 
1.04  7.163719834e+03 
1.06  5.795256324e+03 
1.08  4.706159984e+03 
1.10  3.835610140e+03 
1.12  3.137055332e+03 
1.14  2.574349976e+03 
1.16  2.119329849e+03 
1.18  1.750128127e+03 
1.20  1.449450560e+03 
1.22  1.203793484e+03 
1.24  1.002455619e+03 
1.26  8.368948810e+02 
1.28  7.003669302e+02 
1.30  5.874500768e+02 
1.32  4.937958407e+02 
1.34  4.159016792e+02 
1.36  3.509629286e+02 
1.38  2.966871192e+02 
1.40  2.512033801e+02 
1.42  2.129747935e+02 
1.44  1.807915488e+02 
1.46  1.536445472e+02 
1.48  1.306958844e+02 
1.50  1.112558307e+02 
1.52  9.474529129e+01 
1.54  8.069805373e+01 
1.56  6.873433809e+01 
1.58  5.852729352e+01 
1.60  4.980612439e+01 
1.62  4.234486848e+01 
1.64  3.595347698e+01 
1.66  3.046868491e+01 
1.68  2.575930425e+01 
1.70  2.171199190e+01 
1.72  1.823360576e+01 
1.74  1.524191179e+01 
1.76  1.266600022e+01 
1.78  1.044782876e+01 
1.80  8.535492928e+00 
1.82  6.886486414e+00 
1.84  5.461157910e+00 
1.86  4.229944354e+00 
1.88  3.167503026e+00 
1.90  2.250033851e+00 
1.92  1.456859662e+00 
1.94  7.708282736e-01 
1.96  1.775322450e-01 
1.98 -3.357501860e-01 
2.00 -7.799608331e-01 
2.02 -1.164161403e+00 
2.04 -1.496168416e+00 
2.06 -1.782742507e+00 
2.08 -2.029801244e+00 
2.10 -2.243300508e+00 
2.12 -2.425954457e+00 
2.14 -2.582309290e+00 
2.16 -2.714526110e+00 
2.18 -2.825123069e+00 
2.20 -2.916548285e+00 
2.22 -2.990922792e+00 
2.24 -3.050097350e+00 
2.26 -3.095696403e+00 
2.28 -3.129164597e+00 
2.30 -3.152093384e+00 
2.32 -3.165231740e+00 
2.34 -3.170254415e+00 
2.36 -3.168273550e+00 
2.38 -3.159500793e+00 
2.40 -3.143981739e+00 
2.42 -3.122517271e+00 
2.44 -3.095818310e+00 
2.46 -3.064516259e+00 
2.48 -3.029210577e+00 
2.50 -2.990652448e+00 
2.52 -2.948925283e+00 
2.54 -2.904431005e+00 
2.56 -2.857523138e+00 
2.58 -2.808512386e+00 
2.60 -2.757670936e+00 
2.62 -2.705449432e+00 
2.64 -2.651783936e+00 
2.66 -2.596864332e+00 
2.68 -2.540861600e+00 
2.70 -2.483923600e+00 
2.72 -2.426180603e+00 
2.74 -2.367747551e+00 
2.76 -2.308732780e+00 
2.78 -2.249236030e+00 
2.80 -2.189360125e+00 
2.82 -2.129237432e+00 
2.84 -2.068903402e+00 
2.86 -2.008458345e+00 
2.88 -1.948005192e+00 
2.90 -1.887650133e+00 
2.92 -1.827502795e+00 
2.94 -1.767675993e+00 
2.96 -1.708285103e+00 
2.98 -1.649447120e+00 
3.00 -1.591288134e+00 
3.02 -1.534147516e+00 
3.04 -1.477903973e+00 
3.06 -1.422610041e+00 
3.08 -1.368383461e+00 
3.10 -1.315332682e+00 
3.12 -1.263556031e+00 
3.14 -1.213140941e+00 
3.16 -1.164163314e+00 
3.18 -1.116687073e+00 
3.20 -1.070763923e+00 
3.22 -1.026432616e+00 
3.24 -9.837206185e-01 
3.26 -9.426616414e-01 
3.28 -9.033199310e-01 
3.30 -8.655984907e-01 
3.32 -8.294828016e-01 
3.34 -7.949493743e-01 
3.36 -7.619667199e-01 
3.38 -7.304963645e-01 
3.40 -7.004938787e-01 
3.42 -6.719098982e-01 
3.44 -6.446911140e-01 
3.46 -6.187812142e-01 
3.48 -5.941217613e-01 
3.50 -5.706529957e-01 
3.52 -5.483144981e-01 
3.54 -5.270458939e-01 
3.56 -5.067875727e-01 
3.58 -4.874808344e-01 
3.60 -4.690684097e-01 
3.62 -4.514947688e-01 
3.64 -4.347063626e-01 
3.66 -4.186518050e-01 
3.68 -4.032880454e-01 
3.70 -3.888984464e-01 
3.72 -3.750322925e-01 
3.74 -3.616586714e-01 
3.76 -3.487485903e-01 
3.78 -3.362739665e-01 
3.80 -3.242077684e-01 
3.82 -3.125241413e-01 
3.84 -3.011985192e-01 
3.86 -2.902077215e-01 
3.88 -2.795300351e-01 
3.90 -2.691452816e-01 
3.92 -2.590348697e-01 
3.94 -2.491818322e-01 
3.96 -2.395859412e-01 
3.98 -2.302803681e-01 
4.00 -2.211757738e-01 
4.02 -2.122641862e-01 
4.04 -2.035388969e-01 
4.06 -1.949944453e-01 
4.08 -1.866265890e-01 
4.10 -1.784322577e-01 
4.12 -1.704094949e-01 
4.14 -1.625573855e-01 
4.16 -1.548759723e-01 
4.18 -1.473661622e-01 
4.20 -1.400296234e-01 
4.22 -1.328686756e-01 
4.24 -1.258861754e-01 
4.26 -1.190853973e-01 
4.28 -1.124699140e-01 
4.30 -1.060434767e-01 
4.32 -9.980983519e-02 
4.34 -9.377281091e-02 
4.36 -8.793601383e-02 
4.38 -8.230277822e-02 
4.40 -7.687608344e-02 
4.42 -7.165847054e-02 
4.44 -6.665196935e-02 
4.46 -6.185803668e-02 
4.48 -5.727750629e-02 
4.50 -5.291084808e-02 
4.52 -4.901800124e-02 
4.54 -4.530445875e-02 
4.56 -4.177100671e-02 
4.58 -3.841845843e-02 
4.60 -3.524629149e-02 
4.62 -3.225308043e-02 
4.64 -2.943655522e-02 
4.66 -2.679366173e-02 
4.68 -2.432062769e-02 
4.70 -2.201303275e-02 
4.72 -1.986588154e-02 
4.74 -1.787367856e-02 
4.76 -1.603050377e-02 
4.78 -1.433008776e-02 
4.80 -1.276588552e-02 
4.82 -1.133114797e-02 
4.84 -1.001899030e-02 
4.86 -8.822456655e-03 
4.88 -7.734580303e-03 
4.90 -6.748439081e-03 
4.92 -5.857205622e-03 
4.94 -5.054192199e-03 
4.96 -4.332890040e-03 
4.98 -3.687003103e-03 
5.00 -3.110476376e-03 
5.02 -2.597518865e-03 
5.04 -2.142621478e-03 
5.06 -1.740570103e-03 
5.08 -1.386454197e-03 
5.10 -1.075671271e-03 
5.12 -8.039276467e-04 
5.14 -5.672359066e-04 
5.16 -3.619094457e-04 
5.18 -1.845545434e-04 
5.20 -3.206035497e-05 
5.22 -4.083198546e-06 
5.24 -3.458464561e-06 
5.26 -2.919829909e-06 
5.28 -2.456645690e-06 
5.30 -2.059427479e-06 
5.32 -1.719746700e-06 
5.34 -1.430129897e-06 
5.36 -1.183965584e-06 
5.38 -9.754183446e-07 
5.40 -7.993498459e-07 
5.42 -6.512463964e-07 
5.44 -5.271526984e-07 
5.46 -4.236114223e-07 
5.48 -3.376082409e-07 
5.50 -2.665219629e-07 
5.52 -2.080794142e-07 
5.54 -1.603147216e-07 
5.56 -1.215326674e-07 
5.58 -9.027579545e-08 
5.60 -6.529496242e-08 
5.62 -4.552304384e-08 
5.64 -3.005151985e-08 
5.66 -1.810968126e-08 
5.68 -9.046212814e-09 
5.70 -2.312926733e-09 
5.72  2.549564828e-09 
5.74  4.120054226e-09 
5.76  3.258877473e-09 
5.78  2.558262782e-09 
5.80  1.991511187e-09 
5.82  1.535895404e-09 
5.84  1.172130618e-09 
5.86  8.839078523e-10 
5.88  6.574835204e-10 
5.90  4.813193232e-10 
5.92  3.457671087e-10 
5.94  2.427938061e-10 
5.96  1.657419751e-10 
5.98  1.091219274e-10 
6.00  6.843176147e-11