# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al
# implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1
# composition = Co2Fe
# 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 2025-07-01

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  2.508339942e+02 
0.98  2.294514163e+02 
1.00  2.102456325e+02 
1.02  1.927391429e+02 
1.04  1.764915645e+02 
1.06  1.619119733e+02 
1.08  1.485844032e+02 
1.10  1.363839405e+02 
1.12  1.250519652e+02 
1.14  1.145895298e+02 
1.16  1.051124757e+02 
1.18  9.638788381e+01 
1.20  8.858302284e+01 
1.22  8.121016044e+01 
1.24  7.434660990e+01 
1.26  6.814314187e+01 
1.28  6.241203959e+01 
1.30  5.717926885e+01 
1.32  5.223884241e+01 
1.34  4.784901428e+01 
1.36  4.364465145e+01 
1.38  3.979373845e+01 
1.40  3.622641981e+01 
1.42  3.294035418e+01 
1.44  3.007503713e+01 
1.46  2.744188899e+01 
1.48  2.483509826e+01 
1.50  2.243372441e+01 
1.52  2.027430328e+01 
1.54  1.834427502e+01 
1.56  1.644987350e+01 
1.58  1.473414968e+01 
1.60  1.312509615e+01 
1.62  1.164399648e+01 
1.64  1.028101252e+01 
1.66  9.077841279e+00 
1.68  7.975620548e+00 
1.70  6.905569164e+00 
1.72  5.922568831e+00 
1.74  5.102315101e+00 
1.76  4.266403355e+00 
1.78  3.500013835e+00 
1.80  2.797910361e+00 
1.82  2.223441943e+00 
1.84  1.629584896e+00 
1.86  1.200254990e+00 
1.88  6.954048344e-01 
1.90  2.354206371e-01 
1.92 -1.830788289e-01 
1.94 -5.210872842e-01 
1.96 -8.693433541e-01 
1.98 -1.184515126e+00 
2.00 -1.469109710e+00 
2.02 -1.725449238e+00 
2.04 -1.955685079e+00 
2.06 -2.161810893e+00 
2.08 -2.345674607e+00 
2.10 -2.458085843e+00 
2.12 -2.578641386e+00 
2.14 -2.711329959e+00 
2.16 -2.827446091e+00 
2.18 -2.928292345e+00 
2.20 -3.015077058e+00 
2.22 -3.088921239e+00 
2.24 -3.066557773e+00 
2.26 -3.123797365e+00 
2.28 -3.170537729e+00 
2.30 -3.207643135e+00 
2.32 -3.235915436e+00 
2.34 -3.256098530e+00 
2.36 -3.268882490e+00 
2.38 -3.274907391e+00 
2.40 -3.274766853e+00 
2.42 -3.269011329e+00 
2.44 -3.203258251e+00 
2.46 -3.191528156e+00 
2.48 -3.175347901e+00 
2.50 -3.155141017e+00 
2.52 -3.073882163e+00 
2.54 -3.050547286e+00 
2.56 -3.024030469e+00 
2.58 -2.994659179e+00 
2.60 -2.962736517e+00 
2.62 -2.928542904e+00 
2.64 -2.892337652e+00 
2.66 -2.854360425e+00 
2.68 -2.814832605e+00 
2.70 -2.773958551e+00 
2.72 -2.731926788e+00 
2.74 -2.667606598e+00 
2.76 -2.625061680e+00 
2.78 -2.581761827e+00 
2.80 -2.537847195e+00 
2.82 -2.493446618e+00 
2.84 -2.448678400e+00 
2.86 -2.403651047e+00 
2.88 -2.358463957e+00 
2.90 -2.313208052e+00 
2.92 -2.267966384e+00 
2.94 -2.222814683e+00 
2.96 -2.177821880e+00 
2.98 -2.133050589e+00 
3.00 -2.088557562e+00 
3.02 -2.044394104e+00 
3.04 -2.000606471e+00 
3.06 -1.957236235e+00 
3.08 -1.914320623e+00 
3.10 -1.871892840e+00 
3.12 -1.829982363e+00 
3.14 -1.788615218e+00 
3.16 -1.730011499e+00 
3.18 -1.690749159e+00 
3.20 -1.652039241e+00 
3.22 -1.613899078e+00 
3.24 -1.576343543e+00 
3.26 -1.539385236e+00 
3.28 -1.503034660e+00 
3.30 -1.408082263e+00 
3.32 -1.375958640e+00 
3.34 -1.344313154e+00 
3.36 -1.313156948e+00 
3.38 -1.282499419e+00 
3.40 -1.252348351e+00 
3.42 -1.222710042e+00 
3.44 -1.193589416e+00 
3.46 -1.164990138e+00 
3.48 -1.136914708e+00 
3.50 -1.109364558e+00 
3.52 -1.082340145e+00 
3.54 -1.055841026e+00 
3.56 -1.029865939e+00 
3.58 -1.004412875e+00 
3.60 -9.794791405e-01 
3.62 -9.550614257e-01 
3.64 -9.311558579e-01 
3.66 -9.077580570e-01 
3.68 -8.848631855e-01 
3.70 -8.624659951e-01 
3.72 -8.405608699e-01 
3.74 -8.191418672e-01 
3.76 -7.982027541e-01 
3.78 -7.777370428e-01 
3.80 -7.577380226e-01 
3.82 -7.381987895e-01 
3.84 -7.191122742e-01 
3.86 -6.564274299e-01 
3.88 -6.401341181e-01 
3.90 -6.241890938e-01 
3.92 -6.085883965e-01 
3.94 -5.933278609e-01 
3.96 -5.784031396e-01 
3.98 -5.638097245e-01 
4.00 -5.495429673e-01 
4.02 -5.355980978e-01 
4.04 -5.219702410e-01 
4.06 -5.086544334e-01 
4.08 -4.956456377e-01 
4.10 -4.829387566e-01 
4.12 -4.705286454e-01 
4.14 -4.584101238e-01 
4.16 -4.465779869e-01 
4.18 -4.350270150e-01 
4.20 -4.237519828e-01 
4.22 -4.127476680e-01 
4.24 -4.020088591e-01 
4.26 -3.915303623e-01 
4.28 -3.813070081e-01 
4.30 -3.713336575e-01 
4.32 -3.616052069e-01 
4.34 -3.521165935e-01 
4.36 -3.428627996e-01 
4.38 -3.338388563e-01 
4.40 -3.250398478e-01 
4.42 -3.164609139e-01 
4.44 -3.080972535e-01 
4.46 -2.999441267e-01 
4.48 -2.919968572e-01 
4.50 -2.842508347e-01 
4.52 -2.767015159e-01 
4.54 -2.693444265e-01 
4.56 -2.621751623e-01 
4.58 -2.551893902e-01 
4.60 -2.483828491e-01 
4.62 -2.417513504e-01 
4.64 -2.352907788e-01 
4.66 -2.289970924e-01 
4.68 -2.228663232e-01 
4.70 -2.168945767e-01 
4.72 -2.110780322e-01 
4.74 -2.054129428e-01 
4.76 -1.998956347e-01 
4.78 -1.945225071e-01 
4.80 -1.892900319e-01 
4.82 -1.841947529e-01 
4.84 -1.792332855e-01 
4.86 -1.744023160e-01 
4.88 -1.696986006e-01 
4.90 -1.651189651e-01 
4.92 -1.606603039e-01 
4.94 -1.563195792e-01 
4.96 -1.520938201e-01 
4.98 -1.479801216e-01 
5.00 -1.439756440e-01 
5.02 -1.400776117e-01 
5.04 -1.362833121e-01 
5.06 -1.325900950e-01 
5.08 -1.289953712e-01 
5.10 -1.254966118e-01 
5.12 -1.220913470e-01 
5.14 -1.187771650e-01 
5.16 -1.155517111e-01 
5.18 -1.124126868e-01 
5.20 -1.093578484e-01 
5.22 -1.063850061e-01 
5.24 -1.034920232e-01 
5.26 -1.006768147e-01 
5.28 -9.793734652e-02 
5.30 -9.527163429e-02 
5.32 -9.267774253e-02 
5.34 -9.015378350e-02 
5.36 -8.769791627e-02 
5.38 -8.530834565e-02 
5.40 -8.298332132e-02 
5.42 -8.072113676e-02 
5.44 -7.852012834e-02 
5.46 -6.274217219e-02 
5.48 -6.108479479e-02 
5.50 -5.947058599e-02 
5.52 -5.789845419e-02 
5.54 -5.636733366e-02 
5.56 -5.487618394e-02 
5.58 -5.342398938e-02 
5.60 -5.200975862e-02 
5.62 -5.063252413e-02 
5.64 -4.929134167e-02 
5.66 -4.798528981e-02 
5.68 -4.671346950e-02 
5.70 -4.547500351e-02 
5.72 -4.426903605e-02 
5.74 -4.309473225e-02 
5.76 -4.195127771e-02 
5.78 -4.083787808e-02 
5.80 -3.975375859e-02 
5.82 -3.869816362e-02 
5.84 -3.767035629e-02 
5.86 -3.666961799e-02 
5.88 -3.569524805e-02 
5.90 -3.474656323e-02 
5.92 -3.382289741e-02 
5.94 -3.292360114e-02 
5.96 -3.204804127e-02 
5.98 -3.119560058e-02 
6.00 -3.036567740e-02