# 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 = ClNa2
# 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  1.187565991e+04 
1.12  9.997174740e+03 
1.14  8.440536008e+03 
1.16  7.146329275e+03 
1.18  6.067014258e+03 
1.20  5.163970290e+03 
1.22  4.406259359e+03 
1.24  3.768757017e+03 
1.26  3.230881383e+03 
1.28  2.775945760e+03 
1.30  2.390290006e+03 
1.32  2.062384006e+03 
1.34  1.783058100e+03 
1.36  1.544471446e+03 
1.38  1.340205638e+03 
1.40  1.165032530e+03 
1.42  1.014403145e+03 
1.44  8.846328189e+02 
1.46  7.726858499e+02 
1.48  6.758962440e+02 
1.50  5.920322949e+02 
1.52  5.192353258e+02 
1.54  4.559810933e+02 
1.56  4.008992081e+02 
1.58  3.528497594e+02 
1.60  3.108701917e+02 
1.62  2.741465380e+02 
1.64  2.419706616e+02 
1.66  2.137348942e+02 
1.68  1.889278435e+02 
1.70  1.671062160e+02 
1.72  1.478944844e+02 
1.74  1.309707414e+02 
1.76  1.160320047e+02 
1.78  1.028299024e+02 
1.80  9.115106482e+01 
1.82  8.080939152e+01 
1.84  7.164272243e+01 
1.86  6.351970427e+01 
1.88  5.631000838e+01 
1.90  4.990476571e+01 
1.92  4.420956627e+01 
1.94  3.914110002e+01 
1.96  3.462551366e+01 
1.98  3.060032455e+01 
2.00  2.700866049e+01 
2.02  2.380177581e+01 
2.04  2.093524661e+01 
2.06  1.836990883e+01 
2.08  1.607194917e+01 
2.10  1.401101273e+01 
2.12  1.216155048e+01 
2.14  1.050066032e+01 
2.16  9.008343946e+00 
2.18  7.666844735e+00 
2.20  6.460650963e+00 
2.22  5.376085469e+00 
2.24  4.402029623e+00 
2.26  3.526909025e+00 
2.28  2.740675161e+00 
2.30  2.034429085e+00 
2.32  1.401081465e+00 
2.34  8.328268044e-01 
2.36  3.246158134e-01 
2.38 -1.291329226e-01 
2.40 -5.336127305e-01 
2.42 -8.935157177e-01 
2.44 -1.213085133e+00 
2.46 -1.496160252e+00 
2.48 -1.746291920e+00 
2.50 -1.966633250e+00 
2.52 -2.160321264e+00 
2.54 -2.329376461e+00 
2.56 -2.477111002e+00 
2.58 -2.604819766e+00 
2.60 -2.714018764e+00 
2.62 -2.806470516e+00 
2.64 -2.883738417e+00 
2.66 -2.947261789e+00 
2.68 -2.998245958e+00 
2.70 -3.037895037e+00 
2.72 -3.067272514e+00 
2.74 -3.087305805e+00 
2.76 -3.098834443e+00 
2.78 -3.102620127e+00 
2.80 -3.099369675e+00 
2.82 -3.089790160e+00 
2.84 -3.074338455e+00 
2.86 -3.053737080e+00 
2.88 -3.028266845e+00 
2.90 -2.998328065e+00 
2.92 -2.964350030e+00 
2.94 -2.926717949e+00 
2.96 -2.885783401e+00 
2.98 -2.841867786e+00 
3.00 -2.795265497e+00 
3.02 -2.746246858e+00 
3.04 -2.695130756e+00 
3.06 -2.642081142e+00 
3.08 -2.587301993e+00 
3.10 -2.530992889e+00 
3.12 -2.473341603e+00 
3.14 -2.414526015e+00 
3.16 -2.354715883e+00 
3.18 -2.294074439e+00 
3.20 -2.232759798e+00 
3.22 -2.170925649e+00 
3.24 -2.108788133e+00 
3.26 -2.046493056e+00 
3.28 -1.984102736e+00 
3.30 -1.921758936e+00 
3.32 -1.859612070e+00 
3.34 -1.797807879e+00 
3.36 -1.736488608e+00 
3.38 -1.675792279e+00 
3.40 -1.615851795e+00 
3.42 -1.556793899e+00 
3.44 -1.498738065e+00 
3.46 -1.441795359e+00 
3.48 -1.386067343e+00 
3.50 -1.331645073e+00 
3.52 -1.278608239e+00 
3.54 -1.227024491e+00 
3.56 -1.176948987e+00 
3.58 -1.128424187e+00 
3.60 -1.081479891e+00 
3.62 -1.036133536e+00 
3.64 -9.923907257e-01 
3.66 -9.502459817e-01 
3.68 -9.096836744e-01 
3.70 -8.706791036e-01 
3.72 -8.331993358e-01 
3.74 -7.972053815e-01 
3.76 -7.626528666e-01 
3.78 -7.294930992e-01 
3.80 -6.976744848e-01 
3.82 -6.671436452e-01 
3.84 -6.378464305e-01 
3.86 -6.097288081e-01 
3.88 -5.827376173e-01 
3.90 -5.568211877e-01 
3.92 -5.319298215e-01 
3.94 -5.080161468e-01 
3.96 -4.850655380e-01 
3.98 -4.631420467e-01 
4.00 -4.420552948e-01 
4.02 -4.217532979e-01 
4.04 -4.025141220e-01 
4.06 -3.839760783e-01 
4.08 -3.660742293e-01 
4.10 -3.487965866e-01 
4.12 -3.321307003e-01 
4.14 -3.160637440e-01 
4.16 -3.005825942e-01 
4.18 -2.856739039e-01 
4.20 -2.713241717e-01 
4.22 -2.575198044e-01 
4.24 -2.442471731e-01 
4.26 -2.314926644e-01 
4.28 -2.192427241e-01 
4.30 -2.074838962e-01 
4.32 -1.962028551e-01 
4.34 -1.853864327e-01 
4.36 -1.750216399e-01 
4.38 -1.650956832e-01 
4.40 -1.555959766e-01 
4.42 -1.465101497e-01 
4.44 -1.378260516e-01 
4.46 -1.295317516e-01 
4.48 -1.216155375e-01 
4.50 -1.140659114e-01 
4.52 -1.068715833e-01 
4.54 -1.000214654e-01 
4.56 -9.350430023e-02 
4.58 -8.730977673e-02 
4.60 -8.142735728e-02 
4.62 -7.584647682e-02 
4.64 -7.055535347e-02 
4.66 -6.554593237e-02 
4.68 -6.080826215e-02 
4.70 -5.633253176e-02 
4.72 -5.210906625e-02 
4.74 -4.812832383e-02 
4.76 -4.438089440e-02 
4.78 -4.085749941e-02 
4.80 -3.754899320e-02 
4.82 -3.444636549e-02 
4.84 -3.154074521e-02 
4.86 -2.882340540e-02 
4.88 -2.636845888e-02 
4.90 -2.425402958e-02 
4.92 -2.226911074e-02 
4.94 -2.040919287e-02 
4.96 -1.866962175e-02 
4.98 -1.704562968e-02 
5.00 -1.553236582e-02 
5.02 -1.412492530e-02 
5.04 -1.281837704e-02 
5.06 -1.160779002e-02 
5.08 -1.048825789e-02 
5.10 -9.454921839e-03 
5.12 -8.502991554e-03 
5.14 -7.627764320e-03 
5.16 -6.824642145e-03 
5.18 -6.089146919e-03 
5.20 -5.416933639e-03 
5.22 -4.803801697e-03 
5.24 -4.245704308e-03 
5.26 -3.738756124e-03 
5.28 -3.279239129e-03 
5.30 -2.863606891e-03 
5.32 -2.488487282e-03 
5.34 -2.150683772e-03 
5.36 -1.847175414e-03 
5.38 -1.575115627e-03 
5.40 -1.331829916e-03 
5.42 -1.114812635e-03 
5.44 -9.217229094e-04 
5.46 -7.503798543e-04 
5.48 -5.987571741e-04 
5.50 -4.649772729e-04 
5.52 -3.473049659e-04 
5.54 -2.441408915e-04 
5.56 -1.540147119e-04 
5.58 -7.557818289e-05 
5.60 -2.182524793e-05 
5.62 -1.947373999e-05 
5.64 -1.734158893e-05 
5.66 -1.541123022e-05 
5.68 -1.366625274e-05 
5.70 -1.209134484e-05 
5.72 -1.067224119e-05 
5.74 -9.395670288e-06 
5.76 -8.249303094e-06 
5.78 -7.221702663e-06 
5.80 -6.302275065e-06 
5.82 -5.481221633e-06 
5.84 -4.749492637e-06 
5.86 -4.098742470e-06 
5.88 -3.521286396e-06 
5.90 -3.010058924e-06 
5.92 -2.558573822e-06 
5.94 -2.160885824e-06 
5.96 -1.811554017e-06 
5.98 -1.505606933e-06 
6.00 -1.238509326e-06