# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Allera-A-Ribeiro-F-Perez-M-Rodney-D--Fe-C
# implementation = 2022--Allera-A--Fe-C--LAMMPS--ipr1
# composition = C2Fe
# 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 2023-05-19

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 -1.642132624e+10 
0.86 -1.333176526e+10 
0.88 -1.074280923e+10 
0.90 -8.587738985e+09 
0.92 -6.786607519e+09 
0.94 -5.308017294e+09 
0.96 -4.120830106e+09 
0.98 -3.182688749e+09 
1.00 -2.444974860e+09 
1.02 -1.867687426e+09 
1.04 -1.481330942e+09 
1.06 -1.266213687e+09 
1.08 -1.160313716e+09 
1.10 -1.060299249e+09 
1.12 -9.533434806e+08 
1.14 -8.437064140e+08 
1.16 -7.352985016e+08 
1.18 -6.316081417e+08 
1.20 -5.356746590e+08 
1.22 -4.529596138e+08 
1.24 -3.845198868e+08 
1.26 -3.299390799e+08 
1.28 -2.846589629e+08 
1.30 -2.456424526e+08 
1.32 -2.117712029e+08 
1.34 -1.822086764e+08 
1.36 -1.563786674e+08 
1.38 -1.338450622e+08 
1.40 -1.142544285e+08 
1.42 -9.731331699e+07 
1.44 -8.275058845e+07 
1.46 -7.032307901e+07 
1.48 -5.981180547e+07 
1.50 -5.096675137e+07 
1.52 -4.351651006e+07 
1.54 -3.723081716e+07 
1.56 -3.192319636e+07 
1.58 -2.743808363e+07 
1.60 -2.364525808e+07 
1.62 -2.043616643e+07 
1.64 -1.772344699e+07 
1.66 -1.543444224e+07 
1.68 -1.350599102e+07 
1.70 -1.188249211e+07 
1.72 -1.051585269e+07 
1.74 -9.365248046e+06 
1.76 -8.395996330e+06 
1.78 -7.578715911e+06 
1.80 -6.888610513e+06 
1.82 -6.303907202e+06 
1.84 -5.806295334e+06 
1.86 -5.379682039e+06 
1.88 -5.009656514e+06 
1.90 -4.683450683e+06 
1.92 -4.389804106e+06 
1.94 -4.119174933e+06 
1.96 -3.866936413e+06 
1.98 -3.631319357e+06 
2.00 -3.410974226e+06 
2.02 -3.204712383e+06 
2.04 -3.011439064e+06 
2.06 -2.830146253e+06 
2.08 -2.659906329e+06 
2.10 -2.499865748e+06 
2.12 -2.349239659e+06 
2.14 -2.207306852e+06 
2.16 -2.073405110e+06 
2.18 -1.946926805e+06 
2.20 -1.827313860e+06 
2.22 -1.714055084e+06 
2.24 -1.606683702e+06 
2.26 -1.504774400e+06 
2.28 -1.407940587e+06 
2.30 -1.315831963e+06 
2.32 -1.228132216e+06 
2.34 -1.144556981e+06 
2.36 -1.064851937e+06 
2.38 -9.887923342e+05 
2.40 -9.162775460e+05 
2.42 -8.473713038e+05 
2.44 -7.821235817e+05 
2.46 -7.205543969e+05 
2.48 -6.626560490e+05 
2.50 -6.083954850e+05 
2.52 -5.577167496e+05 
2.54 -5.105434874e+05 
2.56 -4.667814758e+05 
2.58 -4.263200727e+05 
2.60 -3.889967681e+05 
2.62 -3.546005163e+05 
2.64 -3.229291244e+05 
2.66 -2.937924351e+05 
2.68 -2.670117304e+05 
2.70 -2.424191518e+05 
2.72 -2.198571504e+05 
2.74 -1.991779564e+05 
2.76 -1.802430695e+05 
2.78 -1.629227752e+05 
2.80 -1.470956774e+05 
2.82 -1.326482510e+05 
2.84 -1.194744170e+05 
2.86 -1.074751311e+05 
2.88 -9.655799499e+04 
2.90 -8.663688245e+04 
2.92 -7.763158234e+04 
2.94 -6.946745839e+04 
2.96 -6.207512533e+04 
2.98 -5.539013948e+04 
3.00 -4.935270334e+04 
3.02 -4.390738555e+04 
3.04 -3.900285403e+04 
3.06 -3.459162136e+04 
3.08 -3.062979101e+04 
3.10 -2.707678221e+04 
3.12 -2.389517484e+04 
3.14 -2.105052529e+04 
3.16 -1.851116703e+04 
3.18 -1.624802064e+04 
3.20 -1.423441517e+04 
3.22 -1.244591961e+04 
3.24 -1.086018352e+04 
3.26 -9.456787467e+03 
3.28 -8.217101630e+03 
3.30 -7.124153243e+03 
3.32 -6.162501772e+03 
3.34 -5.318121805e+03 
3.36 -4.578293236e+03 
3.38 -3.931498221e+03 
3.40 -3.367325084e+03 
3.42 -2.876378162e+03 
3.44 -2.450193671e+03 
3.46 -2.081161441e+03 
3.48 -1.762451855e+03 
3.50 -1.487947792e+03 
3.52 -1.252181624e+03 
3.54 -1.050276602e+03 
3.56 -8.778925668e+02 
3.58 -7.311758291e+02 
3.60 -6.067127507e+02 
3.62 -5.014870302e+02 
3.64 -4.128403329e+02 
3.66 -3.384361127e+02 
3.68 -2.762264219e+02 
3.70 -2.244215392e+02 
3.72 -1.814622032e+02 
3.74 -1.459942911e+02 
3.76 -1.168457030e+02 
3.78 -9.300573549e+01 
3.80 -7.360464969e+01 
3.82 -5.789994263e+01 
3.84 -4.526013304e+01 
3.86 -3.514943693e+01 
3.88 -2.710973881e+01 
3.90 -2.075252154e+01 
3.92 -1.575529923e+01 
3.94 -1.185195117e+01 
3.96 -8.825221113e+00 
3.98 -6.499413167e+00 
4.00 -4.729615703e+00 
4.02 -3.396976403e+00 
4.04 -2.404860796e+00 
4.06 -1.675401051e+00 
4.08 -1.146428664e+00 
4.10 -7.687752400e-01 
4.12 -5.039273942e-01 
4.14 -3.220095811e-01 
4.16 -2.000708052e-01 
4.18 -1.206474902e-01 
4.20 -7.057306003e-02 
4.22 -4.013507707e-02 
4.24 -2.267814608e-02 
4.26 -1.358357056e-02 
4.28 -9.646769472e-03 
4.30 -8.695204023e-03 
4.32 -9.296086091e-03 
4.34 -1.053662327e-02 
4.36 -1.186200975e-02 
4.38 -1.295847263e-02 
4.40 -1.367078394e-02 
4.42 -1.394566132e-02 
4.44 -1.379373190e-02 
4.46 -1.326485588e-02 
4.48 -1.243229264e-02 
4.50 -1.138276552e-02 
4.52 -1.021027947e-02 
4.54 -9.012286143e-03 
4.56 -7.881620302e-03 
4.58 -6.850227590e-03 
4.60 -5.913741456e-03 
4.62 -5.067379964e-03 
4.64 -4.306399654e-03 
4.66 -3.626108395e-03 
4.68 -3.021848131e-03 
4.70 -2.489007719e-03 
4.72 -2.022999138e-03 
4.74 -1.619270485e-03 
4.76 -1.273292448e-03 
4.78 -9.805582638e-04 
4.80 -7.365838491e-04 
4.82 -5.368915259e-04 
4.84 -3.770338361e-04 
4.86 -2.525611084e-04 
4.88 -1.590357851e-04 
4.90 -9.203038668e-05 
4.92 -4.711910049e-05 
4.94 -1.987627678e-05 
4.96 -5.888471419e-06 
4.98 -7.368860773e-07 
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