# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Bonny-G-Bakaev-A-Terentyev-D--Fe-C-Cr
# implementation = 2022--Bonny-G--Fe-C-Cr--LAMMPS--ipr1
# composition = C2Cr
# 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 2024-01-04

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 -1.185710829e+08 
0.86 -1.196961164e+08 
0.88 -1.211487572e+08 
0.90 -1.226076424e+08 
0.92 -1.238381551e+08 
0.94 -1.247517316e+08 
0.96 -1.253866357e+08 
0.98 -1.257999155e+08 
1.00 -1.259887404e+08 
1.02 -1.257894016e+08 
1.04 -1.250518009e+08 
1.06 -1.237908310e+08 
1.08 -1.219879893e+08 
1.10 -1.195860620e+08 
1.12 -1.165555647e+08 
1.14 -1.129787907e+08 
1.16 -1.089721468e+08 
1.18 -1.046052433e+08 
1.20 -9.990363987e+07 
1.22 -9.490388461e+07 
1.24 -8.967985259e+07 
1.26 -8.431117110e+07 
1.28 -7.887239217e+07 
1.30 -7.343055483e+07 
1.32 -6.803153685e+07 
1.34 -6.271049160e+07 
1.36 -5.752638547e+07 
1.38 -5.255506974e+07 
1.40 -4.785839466e+07 
1.42 -4.348352877e+07 
1.44 -3.946407709e+07 
1.46 -3.582158727e+07 
1.48 -3.256634308e+07 
1.50 -2.967775099e+07 
1.52 -2.710407149e+07 
1.54 -2.479942416e+07 
1.56 -2.273241387e+07 
1.58 -2.087609972e+07 
1.60 -1.920656303e+07 
1.62 -1.770256827e+07 
1.64 -1.634526029e+07 
1.66 -1.511789453e+07 
1.68 -1.400559686e+07 
1.70 -1.299515053e+07 
1.72 -1.207480727e+07 
1.74 -1.123412043e+07 
1.76 -1.046379789e+07 
1.78 -9.755572746e+06 
1.80 -9.102090232e+06 
1.82 -8.497006906e+06 
1.84 -7.936250509e+06 
1.86 -7.416375796e+06 
1.88 -6.934089291e+06 
1.90 -6.486354887e+06 
1.92 -6.070375550e+06 
1.94 -5.683578058e+06 
1.96 -5.323597729e+06 
1.98 -4.988266318e+06 
2.00 -4.675604965e+06 
2.02 -4.383799791e+06 
2.04 -4.111185472e+06 
2.06 -3.856232765e+06 
2.08 -3.617537024e+06 
2.10 -3.393807768e+06 
2.12 -3.183859301e+06 
2.14 -2.986602389e+06 
2.16 -2.801036907e+06 
2.18 -2.626245573e+06 
2.20 -2.461390623e+06 
2.22 -2.305707707e+06 
2.24 -2.158499380e+06 
2.26 -2.019130459e+06 
2.28 -1.887023756e+06 
2.30 -1.761656197e+06 
2.32 -1.642555280e+06 
2.34 -1.529295862e+06 
2.36 -1.421497207e+06 
2.38 -1.318823249e+06 
2.40 -1.221121862e+06 
2.42 -1.128449368e+06 
2.44 -1.040840801e+06 
2.46 -9.582939740e+05 
2.48 -8.807724567e+05 
2.50 -8.082086816e+05 
2.52 -7.405071274e+05 
2.54 -6.775475527e+05 
2.56 -6.191882433e+05 
2.58 -5.652677565e+05 
2.60 -5.155590852e+05 
2.62 -4.697754631e+05 
2.64 -4.276429288e+05 
2.66 -3.889040807e+05 
2.68 -3.533172332e+05 
2.70 -3.206556099e+05 
2.72 -2.907065679e+05 
2.74 -2.632708564e+05 
2.76 -2.381619065e+05 
2.78 -2.152051505e+05 
2.80 -1.942373719e+05 
2.82 -1.751060833e+05 
2.84 -1.576689318e+05 
2.86 -1.417931316e+05 
2.88 -1.273549218e+05 
2.90 -1.142390491e+05 
2.92 -1.023382749e+05 
2.94 -9.155290503e+04 
2.96 -8.179034225e+04 
2.98 -7.296465990e+04 
3.00 -6.499619649e+04 
3.02 -5.781117022e+04 
3.04 -5.134131268e+04 
3.06 -4.552352105e+04 
3.08 -4.029952811e+04 
3.10 -3.561558934e+04 
3.12 -3.142218637e+04 
3.14 -2.767374629e+04 
3.16 -2.432837600e+04 
3.18 -2.134761114e+04 
3.20 -1.869617887e+04 
3.22 -1.634177398e+04 
3.24 -1.425484773e+04 
3.26 -1.240840894e+04 
3.28 -1.077783672e+04 
3.30 -9.340704304e+03 
3.32 -8.076613584e+03 
3.34 -6.967039716e+03 
3.36 -5.995185449e+03 
3.38 -5.145844648e+03 
3.40 -4.405274582e+03 
3.42 -3.761076567e+03 
3.44 -3.202084511e+03 
3.46 -2.718261002e+03 
3.48 -2.300600516e+03 
3.50 -1.941039393e+03 
3.52 -1.632372211e+03 
3.54 -1.368174213e+03 
3.56 -1.142729448e+03 
3.58 -9.509643168e+02 
3.60 -7.883861896e+02 
3.62 -6.510268233e+02 
3.64 -5.353902747e+02 
3.66 -4.384050421e+02 
3.68 -3.573801709e+02 
3.70 -2.899650768e+02 
3.72 -2.341128287e+02 
3.74 -1.880466958e+02 
3.76 -1.502296790e+02 
3.78 -1.193369140e+02 
3.80 -9.423053492e+01 
3.82 -7.393726076e+01 
3.84 -5.762836263e+01 
3.86 -4.460092229e+01 
3.88 -3.426039208e+01 
3.90 -2.610677870e+01 
3.92 -1.972259653e+01 
3.94 -1.476121958e+01 
3.96 -1.093703832e+01 
3.98 -8.015279619e+00 
4.00 -5.803992417e+00 
4.02 -4.147365368e+00 
4.04 -2.919884515e+00 
4.06 -2.021259951e+00 
4.08 -1.372047116e+00 
4.10 -9.098923790e-01 
4.12 -5.863365713e-01 
4.14 -3.641142074e-01 
4.16 -2.148901692e-01 
4.18 -1.173797133e-01 
4.20 -5.580174983e-02 
4.22 -1.863910841e-02 
4.24  2.320017052e-03 
4.26  1.284622144e-02 
4.28  1.692095143e-02 
4.30  1.722764794e-02 
4.32  1.552599781e-02 
4.34  1.293195999e-02 
4.36  1.012305058e-02 
4.38  7.485431895e-03 
4.40  5.216652197e-03 
4.42  3.395426028e-03 
4.44  2.027628662e-03 
4.46  1.075703689e-03 
4.48  4.769490083e-04 
4.50  1.546539684e-04 
4.52  2.480909911e-05 
4.54  9.966310017e-08 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00