# 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 = CoFe2
# 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  2.497826605e+02 
0.98  2.286039361e+02 
1.00  2.095874296e+02 
1.02  1.922708307e+02 
1.04  1.761547457e+02 
1.06  1.617057789e+02 
1.08  1.484942797e+02 
1.10  1.363921570e+02 
1.12  1.251368685e+02 
1.14  1.147345924e+02 
1.16  1.053088791e+02 
1.18  9.663326872e+01 
1.20  8.888736209e+01 
1.22  8.154748175e+01 
1.24  7.470478738e+01 
1.26  6.852924175e+01 
1.28  6.280894061e+01 
1.30  5.759196215e+01 
1.32  5.265477539e+01 
1.34  4.828799389e+01 
1.36  4.407958132e+01 
1.38  4.022422080e+01 
1.40  3.664933928e+01 
1.42  3.335438716e+01 
1.44  3.047906149e+01 
1.46  2.784714341e+01 
1.48  2.522749709e+01 
1.50  2.281273587e+01 
1.52  2.065142310e+01 
1.54  1.870623413e+01 
1.56  1.679656176e+01 
1.58  1.506753913e+01 
1.60  1.344305138e+01 
1.62  1.194663283e+01 
1.64  1.056849808e+01 
1.66  9.361911790e+00 
1.68  8.244053935e+00 
1.70  7.158727997e+00 
1.72  6.160838859e+00 
1.74  5.331886152e+00 
1.76  4.481452623e+00 
1.78  3.701007102e+00 
1.80  2.985319535e+00 
1.82  2.413022586e+00 
1.84  1.805388559e+00 
1.86  1.362839281e+00 
1.88  8.453194293e-01 
1.90  3.732060014e-01 
1.92 -5.689252380e-02 
1.94 -4.030307545e-01 
1.96 -7.620691354e-01 
1.98 -1.087514625e+00 
2.00 -1.381888274e+00 
2.02 -1.647526491e+00 
2.04 -1.886595164e+00 
2.06 -2.101102625e+00 
2.08 -2.292911552e+00 
2.10 -2.412846328e+00 
2.12 -2.540518457e+00 
2.14 -2.679931281e+00 
2.16 -2.802393808e+00 
2.18 -2.909222898e+00 
2.20 -3.001640973e+00 
2.22 -3.080782886e+00 
2.24 -3.057492234e+00 
2.26 -3.119762957e+00 
2.28 -3.171217260e+00 
2.30 -3.212733240e+00 
2.32 -3.245126194e+00 
2.34 -3.269153082e+00 
2.36 -3.285516647e+00 
2.38 -3.294869240e+00 
2.40 -3.297816362e+00 
2.42 -3.294919950e+00 
2.44 -3.219521021e+00 
2.46 -3.210918342e+00 
2.48 -3.197631951e+00 
2.50 -3.180097134e+00 
2.52 -3.101299855e+00 
2.54 -3.080226932e+00 
2.56 -3.055782890e+00 
2.58 -3.028305219e+00 
2.60 -2.998106632e+00 
2.62 -2.965476762e+00 
2.64 -2.930683746e+00 
2.66 -2.893975693e+00 
2.68 -2.855582060e+00 
2.70 -2.815714932e+00 
2.72 -2.774570207e+00 
2.74 -2.709535305e+00 
2.76 -2.667733846e+00 
2.78 -2.625074103e+00 
2.80 -2.581702500e+00 
2.82 -2.537753845e+00 
2.84 -2.493352130e+00 
2.86 -2.448611275e+00 
2.88 -2.403635830e+00 
2.90 -2.358521616e+00 
2.92 -2.313356338e+00 
2.94 -2.268220148e+00 
2.96 -2.223186175e+00 
2.98 -2.178321016e+00 
3.00 -2.133685199e+00 
3.02 -2.089333611e+00 
3.04 -2.045315898e+00 
3.06 -2.001676843e+00 
3.08 -1.958456714e+00 
3.10 -1.915691587e+00 
3.12 -1.873413656e+00 
3.14 -1.831651515e+00 
3.16 -1.768622513e+00 
3.18 -1.729093349e+00 
3.20 -1.690088563e+00 
3.22 -1.651627802e+00 
3.24 -1.613728122e+00 
3.26 -1.576404187e+00 
3.28 -1.539668449e+00 
3.30 -1.444313195e+00 
3.32 -1.411770750e+00 
3.34 -1.379692112e+00 
3.36 -1.348089961e+00 
3.38 -1.316975138e+00 
3.40 -1.286356789e+00 
3.42 -1.256242488e+00 
3.44 -1.226638361e+00 
3.46 -1.197549193e+00 
3.48 -1.168978541e+00 
3.50 -1.140928825e+00 
3.52 -1.113401421e+00 
3.54 -1.086396752e+00 
3.56 -1.059914360e+00 
3.58 -1.033952985e+00 
3.60 -1.008510636e+00 
3.62 -9.835846510e-01 
3.64 -9.591717617e-01 
3.66 -9.352681480e-01 
3.68 -9.118694911e-01 
3.70 -8.889710222e-01 
3.72 -8.665675678e-01 
3.74 -8.446535924e-01 
3.76 -8.232232376e-01 
3.78 -8.022703585e-01 
3.80 -7.817885582e-01 
3.82 -7.617712186e-01 
3.84 -7.422115301e-01 
3.86 -6.759981556e-01 
3.88 -6.593524298e-01 
3.90 -6.430567937e-01 
3.92 -6.271075735e-01 
3.94 -6.115008680e-01 
3.96 -5.962325734e-01 
3.98 -5.812984054e-01 
4.00 -5.666939206e-01 
4.02 -5.524145362e-01 
4.04 -5.384555479e-01 
4.06 -5.248121471e-01 
4.08 -5.114794366e-01 
4.10 -4.984524452e-01 
4.12 -4.857261411e-01 
4.14 -4.732954447e-01 
4.16 -4.611552398e-01 
4.18 -4.493003845e-01 
4.20 -4.377257213e-01 
4.22 -4.264260857e-01 
4.24 -4.153963149e-01 
4.26 -4.046312553e-01 
4.28 -3.941257700e-01 
4.30 -3.838747446e-01 
4.32 -3.738730935e-01 
4.34 -3.641157651e-01 
4.36 -3.545977471e-01 
4.38 -3.453140703e-01 
4.40 -3.362598130e-01 
4.42 -3.274301046e-01 
4.44 -3.188201288e-01 
4.46 -3.104251265e-01 
4.48 -3.022403982e-01 
4.50 -2.942613067e-01 
4.52 -2.864832786e-01 
4.54 -2.789018065e-01 
4.56 -2.715124502e-01 
4.58 -2.643108380e-01 
4.60 -2.572926678e-01 
4.62 -2.504537083e-01 
4.64 -2.437897991e-01 
4.66 -2.372968517e-01 
4.68 -2.309708498e-01 
4.70 -2.248078492e-01 
4.72 -2.188039785e-01 
4.74 -2.129554387e-01 
4.76 -2.072585031e-01 
4.78 -2.017095171e-01 
4.80 -1.963048983e-01 
4.82 -1.910411353e-01 
4.84 -1.859147880e-01 
4.86 -1.809224866e-01 
4.88 -1.760609314e-01 
4.90 -1.713268916e-01 
4.92 -1.667172050e-01 
4.94 -1.622287773e-01 
4.96 -1.578585810e-01 
4.98 -1.536036545e-01 
5.00 -1.494611019e-01 
5.02 -1.454280913e-01 
5.04 -1.415018543e-01 
5.06 -1.376796852e-01 
5.08 -1.339589394e-01 
5.10 -1.303370332e-01 
5.12 -1.268114423e-01 
5.14 -1.233797011e-01 
5.16 -1.200394014e-01 
5.18 -1.167881917e-01 
5.20 -1.136237759e-01 
5.22 -1.105439125e-01 
5.24 -1.075464133e-01 
5.26 -1.046291429e-01 
5.28 -1.017900171e-01 
5.30 -9.902700226e-02 
5.32 -9.633811419e-02 
5.34 -9.372141713e-02 
5.36 -9.117502279e-02 
5.38 -8.869708933e-02 
5.40 -8.628582046e-02 
5.42 -8.393946440e-02 
5.44 -8.165631298e-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