# 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 = ClCs2
# 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  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  3.380214283e+05 
1.26  2.812990648e+05 
1.28  2.347653699e+05 
1.30  1.964729500e+05 
1.32  1.648672325e+05 
1.34  1.387060152e+05 
1.36  1.169906588e+05 
1.38  9.891643740e+04 
1.40  8.383315035e+04 
1.42  7.121353518e+04 
1.44  6.062882078e+04 
1.46  5.172966177e+04 
1.48  4.422988440e+04 
1.50  3.789513270e+04 
1.52  3.253234789e+04 
1.54  2.798262452e+04 
1.56  2.411453652e+04 
1.58  2.081900627e+04 
1.60  1.800587446e+04 
1.62  1.559984989e+04 
1.64  1.353793940e+04 
1.66  1.176777420e+04 
1.68  1.024531202e+04 
1.70  8.933575958e+03 
1.72  7.801437045e+03 
1.74  6.822719988e+03 
1.76  5.975256012e+03 
1.78  5.240226530e+03 
1.80  4.601693715e+03 
1.82  4.046200147e+03 
1.84  3.562232241e+03 
1.86  3.139974315e+03 
1.88  2.770992624e+03 
1.90  2.448153499e+03 
1.92  2.165318283e+03 
1.94  1.917203385e+03 
1.96  1.699267315e+03 
1.98  1.507593359e+03 
2.00  1.338806923e+03 
2.02  1.190000897e+03 
2.04  1.058661953e+03 
2.06  9.426125052e+02 
2.08  8.399609453e+02 
2.10  7.490621225e+02 
2.12  6.684558423e+02 
2.14  5.969302355e+02 
2.16  5.334039808e+02 
2.18  4.769285771e+02 
2.20  4.266751872e+02 
2.22  3.819184637e+02 
2.24  3.420224957e+02 
2.26  3.064298422e+02 
2.28  2.746377102e+02 
2.30  2.462283833e+02 
2.32  2.208258030e+02 
2.34  1.980950571e+02 
2.36  1.777416998e+02 
2.38  1.595046593e+02 
2.40  1.431530838e+02 
2.42  1.284833125e+02 
2.44  1.153143364e+02 
2.46  1.034860982e+02 
2.48  9.285270353e+01 
2.50  8.329153530e+01 
2.52  7.469083708e+01 
2.54  6.695055513e+01 
2.56  5.998162000e+01 
2.58  5.370467908e+01 
2.60  4.804898274e+01 
2.62  4.295140423e+01 
2.64  3.835557623e+01 
2.66  3.421112952e+01 
2.68  3.047328377e+01 
2.70  2.710156700e+01 
2.72  2.405967752e+01 
2.74  2.131239160e+01 
2.76  1.883181951e+01 
2.78  1.659458350e+01 
2.80  1.457713847e+01 
2.82  1.275831890e+01 
2.84  1.111908321e+01 
2.86  9.642097447e+00 
2.88  8.312115459e+00 
2.90  7.115252306e+00 
2.92  6.038921740e+00 
2.94  5.071759122e+00 
2.96  4.203538057e+00 
2.98  3.424936887e+00 
3.00  2.727536137e+00 
3.02  2.103731087e+00 
3.04  1.546632121e+00 
3.06  1.049993879e+00 
3.08  6.081519009e-01 
3.10  2.159658982e-01 
3.12 -1.321325242e-01 
3.14 -4.404623312e-01 
3.16 -7.115492578e-01 
3.18 -9.489401248e-01 
3.20 -1.155868988e+00 
3.22 -1.335276678e+00 
3.24 -1.489838710e+00 
3.26 -1.621990414e+00 
3.28 -1.733932334e+00 
3.30 -1.827697500e+00 
3.32 -1.905132209e+00 
3.34 -1.967919577e+00 
3.36 -2.017589068e+00 
3.38 -2.055534988e+00 
3.40 -2.083028037e+00 
3.42 -2.101225618e+00 
3.44 -2.111181029e+00 
3.46 -2.113851687e+00 
3.48 -2.110106517e+00 
3.50 -2.100732632e+00 
3.52 -2.086441413e+00 
3.54 -2.067874102e+00 
3.56 -2.045606990e+00 
3.58 -2.020156288e+00 
3.60 -1.992072365e+00 
3.62 -1.961661434e+00 
3.64 -1.929284091e+00 
3.66 -1.895262685e+00 
3.68 -1.859880278e+00 
3.70 -1.823384431e+00 
3.72 -1.786264334e+00 
3.74 -1.748484257e+00 
3.76 -1.710103986e+00 
3.78 -1.671269634e+00 
3.80 -1.632107473e+00 
3.82 -1.592724066e+00 
3.84 -1.553289567e+00 
3.86 -1.513801860e+00 
3.88 -1.474325099e+00 
3.90 -1.434925372e+00 
3.92 -1.395660603e+00 
3.94 -1.356581943e+00 
3.96 -1.317734969e+00 
3.98 -1.279160669e+00 
4.00 -1.240896278e+00 
4.02 -1.202975968e+00 
4.04 -1.165738841e+00 
4.06 -1.128880446e+00 
4.08 -1.092389437e+00 
4.10 -1.056304300e+00 
4.12 -1.020660237e+00 
4.14 -9.854895372e-01 
4.16 -9.508218911e-01 
4.18 -9.166846636e-01 
4.20 -8.831031239e-01 
4.22 -8.501006357e-01 
4.24 -8.176988133e-01 
4.26 -7.859176443e-01 
4.28 -7.547755843e-01 
4.30 -7.242896258e-01 
4.32 -6.944753450e-01 
4.34 -6.653469297e-01 
4.36 -6.369171922e-01 
4.38 -6.091975689e-01 
4.40 -5.821981115e-01 
4.42 -5.559274715e-01 
4.44 -5.303928803e-01 
4.46 -5.056001298e-01 
4.48 -4.815535524e-01 
4.50 -4.582560058e-01 
4.52 -4.357088613e-01 
4.54 -4.139120002e-01 
4.56 -3.928638163e-01 
4.58 -3.725612284e-01 
4.60 -3.529997010e-01 
4.62 -3.341728870e-01 
4.64 -3.160701994e-01 
4.66 -2.986869858e-01 
4.68 -2.820123084e-01 
4.70 -2.660361699e-01 
4.72 -2.507462140e-01 
4.74 -2.361290372e-01 
4.76 -2.221702744e-01 
4.78 -2.088546890e-01 
4.80 -1.961662665e-01 
4.82 -1.840883100e-01 
4.84 -1.726035367e-01 
4.86 -1.616941741e-01 
4.88 -1.513595082e-01 
4.90 -1.415768082e-01 
4.92 -1.323097775e-01 
4.94 -1.235400703e-01 
4.96 -1.152492557e-01 
4.98 -1.074188968e-01 
5.00 -1.000306251e-01 
5.02 -9.306620775e-02 
5.04 -8.650760931e-02 
5.06 -8.033704738e-02 
5.08 -7.453704186e-02 
5.10 -6.909045820e-02 
5.12 -6.398054489e-02 
5.14 -5.919096529e-02 
5.16 -5.470582411e-02 
5.18 -5.050968897e-02 
5.20 -4.658760736e-02 
5.22 -4.292511932e-02 
5.24 -3.950826629e-02 
5.26 -3.632359652e-02 
5.28 -3.335816739e-02 
5.30 -3.059954498e-02 
5.32 -2.803580134e-02 
5.34 -2.565550959e-02 
5.36 -2.344773737e-02 
5.38 -2.140203874e-02 
5.40 -1.950844488e-02 
5.42 -1.777967306e-02 
5.44 -1.618815353e-02 
5.46 -1.471633014e-02 
5.48 -1.335685092e-02 
5.50 -1.210267251e-02 
5.52 -1.094705944e-02 
5.54 -9.883582140e-03 
5.56 -8.906113949e-03 
5.58 -8.008827093e-03 
5.60 -7.186187759e-03 
5.62 -6.432950343e-03 
5.64 -5.744150954e-03 
5.66 -5.115100266e-03 
5.68 -4.541375799e-03 
5.70 -4.018813709e-03 
5.72 -3.543500164e-03 
5.74 -3.111762396e-03 
5.76 -2.720159483e-03 
5.78 -2.365472940e-03 
5.80 -2.044697190e-03 
5.82 -1.755029961e-03 
5.84 -1.493862678e-03 
5.86 -1.258770895e-03 
5.88 -1.047504817e-03 
5.90 -8.579799557e-04 
5.92 -6.882679492e-04 
5.94 -5.365875939e-04 
5.96 -4.012961019e-04 
5.98 -3.040110658e-04 
6.00 -2.822243511e-04