# 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 = FNa2
# 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  8.984337864e+03 
1.04  7.250890688e+03 
1.06  5.876242907e+03 
1.08  4.781471953e+03 
1.10  3.905717675e+03 
1.12  3.202366726e+03 
1.14  2.635244980e+03 
1.16  2.176145012e+03 
1.18  1.803164147e+03 
1.20  1.498990726e+03 
1.22  1.250096198e+03 
1.24  1.045748336e+03 
1.26  8.773932860e+02 
1.28  7.382639785e+02 
1.30  6.229260013e+02 
1.32  5.270161135e+02 
1.34  4.470194431e+02 
1.36  3.801201086e+02 
1.38  3.240143005e+02 
1.40  2.768243065e+02 
1.42  2.370074528e+02 
1.44  2.033410544e+02 
1.46  1.748089727e+02 
1.48  1.505656126e+02 
1.50  1.299146039e+02 
1.52  1.122712287e+02 
1.54  9.716417565e+01 
1.56  8.420751289e+01 
1.58  7.307072958e+01 
1.60  6.347724640e+01 
1.62  5.519598783e+01 
1.64  4.803323219e+01 
1.66  4.182311364e+01 
1.68  3.643039936e+01 
1.70  3.173810974e+01 
1.72  2.765110309e+01 
1.74  2.408556705e+01 
1.76  2.096935824e+01 
1.78  1.824093220e+01 
1.80  1.584720320e+01 
1.82  1.374428826e+01 
1.84  1.189166850e+01 
1.86  1.025842272e+01 
1.88  8.816857275e+00 
1.90  7.542783461e+00 
1.92  6.414608814e+00 
1.94  5.414087575e+00 
1.96  4.525733365e+00 
1.98  3.735647004e+00 
2.00  3.031735587e+00 
2.02  2.404089746e+00 
2.04  1.843831337e+00 
2.06  1.343230271e+00 
2.08  8.954724340e-01 
2.10  4.938539789e-01 
2.12  1.345369314e-01 
2.14 -1.874037200e-01 
2.16 -4.753370423e-01 
2.18 -7.326638936e-01 
2.20 -9.624465089e-01 
2.22 -1.167367699e+00 
2.24 -1.349790916e+00 
2.26 -1.511804334e+00 
2.28 -1.655276457e+00 
2.30 -1.782377308e+00 
2.32 -1.893949861e+00 
2.34 -1.991228456e+00 
2.36 -2.076189402e+00 
2.38 -2.149678557e+00 
2.40 -2.211899250e+00 
2.42 -2.263807044e+00 
2.44 -2.306265814e+00 
2.46 -2.340059220e+00 
2.48 -2.365931479e+00 
2.50 -2.384733333e+00 
2.52 -2.397204696e+00 
2.54 -2.403391690e+00 
2.56 -2.403772137e+00 
2.58 -2.398842140e+00 
2.60 -2.389054489e+00 
2.62 -2.374929757e+00 
2.64 -2.356711979e+00 
2.66 -2.334754681e+00 
2.68 -2.309386028e+00 
2.70 -2.280907971e+00 
2.72 -2.249600056e+00 
2.74 -2.215722255e+00 
2.76 -2.179517549e+00 
2.78 -2.141214288e+00 
2.80 -2.101042534e+00 
2.82 -2.059283543e+00 
2.84 -2.016014445e+00 
2.86 -1.971430117e+00 
2.88 -1.925715560e+00 
2.90 -1.879051350e+00 
2.92 -1.831615407e+00 
2.94 -1.783576969e+00 
2.96 -1.735100272e+00 
2.98 -1.686344597e+00 
3.00 -1.637472790e+00 
3.02 -1.588637384e+00 
3.04 -1.539964527e+00 
3.06 -1.491591033e+00 
3.08 -1.443647351e+00 
3.10 -1.396255823e+00 
3.12 -1.349530353e+00 
3.14 -1.303575906e+00 
3.16 -1.258488014e+00 
3.18 -1.214352362e+00 
3.20 -1.171244492e+00 
3.22 -1.129229274e+00 
3.24 -1.088426416e+00 
3.26 -1.048876939e+00 
3.28 -1.010586529e+00 
3.30 -9.735148078e-01 
3.32 -9.376827862e-01 
3.34 -9.031018460e-01 
3.36 -8.697744716e-01 
3.38 -8.376950318e-01 
3.40 -8.068505963e-01 
3.42 -7.772217684e-01 
3.44 -7.487835198e-01 
3.46 -7.215060102e-01 
3.48 -6.953553817e-01 
3.50 -6.702945153e-01 
3.52 -6.462837409e-01 
3.54 -6.232814956e-01 
3.56 -6.012449246e-01 
3.58 -5.801304219e-01 
3.60 -5.598941112e-01 
3.62 -5.404922664e-01 
3.64 -5.218816745e-01 
3.66 -5.040199425e-01 
3.68 -4.868687752e-01 
3.70 -4.705531787e-01 
3.72 -4.548309889e-01 
3.74 -4.396708963e-01 
3.76 -4.250429719e-01 
3.78 -4.109180353e-01 
3.80 -3.972680023e-01 
3.82 -3.840659845e-01 
3.84 -3.712863667e-01 
3.86 -3.589048643e-01 
3.88 -3.468985633e-01 
3.90 -3.352459443e-01 
3.92 -3.239268924e-01 
3.94 -3.129226953e-01 
3.96 -3.022462169e-01 
3.98 -2.919751806e-01 
4.00 -2.819403352e-01 
4.02 -2.721332189e-01 
4.04 -2.625459829e-01 
4.06 -2.531714142e-01 
4.08 -2.440029509e-01 
4.10 -2.350346894e-01 
4.12 -2.262613833e-01 
4.14 -2.176784354e-01 
4.16 -2.092818831e-01 
4.18 -2.010683761e-01 
4.20 -1.930351496e-01 
4.22 -1.851799910e-01 
4.24 -1.775012024e-01 
4.26 -1.699975583e-01 
4.28 -1.626682610e-01 
4.30 -1.555128916e-01 
4.32 -1.485312357e-01 
4.34 -1.417236042e-01 
4.36 -1.350904317e-01 
4.38 -1.286322967e-01 
4.40 -1.223498971e-01 
4.42 -1.162439981e-01 
4.44 -1.103153827e-01 
4.46 -1.045648040e-01 
4.48 -9.899293987e-02 
4.50 -9.360064856e-02 
4.52 -8.864878893e-02 
4.54 -8.384428322e-02 
4.56 -7.918999458e-02 
4.58 -7.468890387e-02 
4.60 -7.034325738e-02 
4.62 -6.615476032e-02 
4.64 -6.212458293e-02 
4.66 -5.825336791e-02 
4.68 -5.454124123e-02 
4.70 -5.098782612e-02 
4.72 -4.759226019e-02 
4.74 -4.435321530e-02 
4.76 -4.126892007e-02 
4.78 -3.833718462e-02 
4.80 -3.555542736e-02 
4.82 -3.292070348e-02 
4.84 -3.042973482e-02 
4.86 -2.807894080e-02 
4.88 -2.586447012e-02 
4.90 -2.378223288e-02 
4.92 -2.182793283e-02 
4.94 -1.999709947e-02 
4.96 -1.828511968e-02 
4.98 -1.668726872e-02 
5.00 -1.519874018e-02 
5.02 -1.381467490e-02 
5.04 -1.253018845e-02 
5.06 -1.134039719e-02 
5.08 -1.024044262e-02 
5.10 -9.225513989e-03 
5.12 -8.290869114e-03 
5.14 -7.431853230e-03 
5.16 -6.643915950e-03 
5.18 -5.922626266e-03 
5.20 -5.263685615e-03 
5.22 -4.662939042e-03 
5.24 -4.116384499e-03 
5.26 -3.620180366e-03 
5.28 -3.170651237e-03 
5.30 -2.764292110e-03 
5.32 -2.397771028e-03 
5.34 -2.067930324e-03 
5.36 -1.771786561e-03 
5.38 -1.506529280e-03 
5.40 -1.269518701e-03 
5.42 -1.058282462e-03 
5.44 -8.705115463e-04 
5.46 -7.040554908e-04 
5.48 -5.569170011e-04 
5.50 -4.272460722e-04 
5.52 -3.133337207e-04 
5.54 -2.136054213e-04 
5.56 -1.266143355e-04 
5.58 -5.103441511e-05 
5.60  1.194685107e-07 
5.62  1.097840909e-07 
5.64  1.000921211e-07 
5.66  9.059366241e-08 
5.68  8.143867678e-08 
5.70  7.273502079e-08 
5.72  6.455616289e-08 
5.74  5.514339336e-08 
5.76  4.506253937e-08 
5.78  3.664941640e-08 
5.80  2.965459746e-08 
5.82  2.386234667e-08 
5.84  1.908653400e-08 
5.86  1.516698653e-08 
5.88  1.196623692e-08 
5.90  9.366632569e-09 
5.92  7.267771106e-09 
5.94  5.584230814e-09 
5.96  4.243566648e-09 
5.98  3.184544970e-09 
6.00  2.355592305e-09