# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni
# implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1
# composition = Cr2Mn
# 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  7.474821179e+04 
1.02  5.888385725e+04 
1.04  4.659657040e+04 
1.06  3.703344345e+04 
1.08  2.955567760e+04 
1.10  2.368221881e+04 
1.12  1.904890078e+04 
1.14  1.537864630e+04 
1.16  1.245960973e+04 
1.18  1.012905739e+04 
1.20  8.261414673e+03 
1.22  6.759357258e+03 
1.24  5.547136248e+03 
1.26  4.565554136e+03 
1.28  3.768165208e+03 
1.30  3.118388368e+03 
1.32  2.587305808e+03 
1.34  2.151975933e+03 
1.36  1.794134514e+03 
1.38  1.499192264e+03 
1.40  1.255457610e+03 
1.42  1.053531213e+03 
1.44  8.858332840e+02 
1.46  7.462335583e+02 
1.48  6.297598917e+02 
1.50  5.323684214e+02 
1.52  4.507610550e+02 
1.54  3.822408706e+02 
1.56  3.245966404e+02 
1.58  2.760107217e+02 
1.60  2.349857187e+02 
1.62  2.002850021e+02 
1.64  1.708846020e+02 
1.66  1.459349463e+02 
1.68  1.247296751e+02 
1.70  1.066802705e+02 
1.72  9.129548442e+01 
1.74  7.816451569e+01 
1.76  6.694309219e+01 
1.78  5.734203129e+01 
1.80  4.911807891e+01 
1.82  4.206632529e+01 
1.84  3.601374748e+01 
1.86  3.081405316e+01 
1.88  2.634341968e+01 
1.90  2.249690283e+01 
1.92  1.918545231e+01 
1.94  1.633329195e+01 
1.96  1.387574309e+01 
1.98  1.175746793e+01 
2.00  9.931170871e+00 
2.02  8.356411933e+00 
2.04  6.998576376e+00 
2.06  5.827913006e+00 
2.08  4.818870115e+00 
2.10  3.949486950e+00 
2.12  3.200858659e+00 
2.14  2.556699930e+00 
2.16  2.002975952e+00 
2.18  1.527589825e+00 
2.20  1.120117570e+00 
2.22  7.715564578e-01 
2.24  4.740421513e-01 
2.26  2.207517534e-01 
2.28  5.785855140e-03 
2.30 -1.759582767e-01 
2.32 -3.288888177e-01 
2.34 -4.568070408e-01 
2.36 -5.630381600e-01 
2.38 -6.505438569e-01 
2.40 -7.219094234e-01 
2.42 -7.793846250e-01 
2.44 -8.249248984e-01 
2.46 -8.602266696e-01 
2.48 -8.867576205e-01 
2.50 -9.057826136e-01 
2.52 -9.183858785e-01 
2.54 -9.254899785e-01 
2.56 -9.278720899e-01 
2.58 -9.262004648e-01 
2.60 -9.210794728e-01 
2.62 -9.130214774e-01 
2.64 -9.024626650e-01 
2.66 -8.898132614e-01 
2.68 -8.754434694e-01 
2.70 -8.596743477e-01 
2.72 -8.427739603e-01 
2.74 -8.249651796e-01 
2.76 -8.064403464e-01 
2.78 -7.873652372e-01 
2.80 -7.678821231e-01 
2.82 -7.481123833e-01 
2.84 -7.281587313e-01 
2.86 -7.081071069e-01 
2.88 -6.880329622e-01 
2.90 -6.680129871e-01 
2.92 -6.481170217e-01 
2.94 -6.284068851e-01 
2.96 -6.089373200e-01 
2.98 -5.897567851e-01 
3.00 -5.709081133e-01 
3.02 -5.524290516e-01 
3.04 -5.343526979e-01 
3.06 -5.167078462e-01 
3.08 -4.995192525e-01 
3.10 -4.828078297e-01 
3.12 -4.665907808e-01 
3.14 -4.508816776e-01 
3.16 -4.356904378e-01 
3.18 -4.210198150e-01 
3.20 -4.068638253e-01 
3.22 -3.932135694e-01 
3.24 -3.800576307e-01 
3.26 -3.673818731e-01 
3.28 -3.551692150e-01 
3.30 -3.433993836e-01 
3.32 -3.320507301e-01 
3.34 -3.211067956e-01 
3.36 -3.105508815e-01 
3.38 -3.003639065e-01 
3.40 -2.905241871e-01 
3.42 -2.810072065e-01 
3.44 -2.717853769e-01 
3.46 -2.628292748e-01 
3.48 -2.541241728e-01 
3.50 -2.456663963e-01 
3.52 -2.374529010e-01 
3.54 -2.294810369e-01 
3.56 -2.217484948e-01 
3.58 -2.142532505e-01 
3.60 -2.069935053e-01 
3.62 -1.999676239e-01 
3.64 -1.931740697e-01 
3.66 -1.866113384e-01 
3.68 -1.802778897e-01 
3.70 -1.741720770e-01 
3.72 -1.682920766e-01 
3.74 -1.626358144e-01 
3.76 -1.572008928e-01 
3.78 -1.519845160e-01 
3.80 -1.469834147e-01 
3.82 -1.421937702e-01 
3.84 -1.376111376e-01 
3.86 -1.332303693e-01 
3.88 -1.290455369e-01 
3.90 -1.250498539e-01 
3.92 -1.212355973e-01 
3.94 -1.175940294e-01 
3.96 -1.141153195e-01 
3.98 -1.107884649e-01 
4.00 -1.076012123e-01 
4.02 -1.045399789e-01 
4.04 -1.015897735e-01 
4.06 -9.873598382e-02 
4.08 -9.597252130e-02 
4.10 -9.329629696e-02 
4.12 -9.070433037e-02 
4.14 -8.819374503e-02 
4.16 -8.576176517e-02 
4.18 -8.340571247e-02 
4.20 -8.112300295e-02 
4.22 -7.891114387e-02 
4.24 -7.676773067e-02 
4.26 -7.469044403e-02 
4.28 -7.267704696e-02 
4.30 -7.072538193e-02 
4.32 -6.883336819e-02 
4.34 -6.699899902e-02 
4.36 -6.522033916e-02 
4.38 -6.349552229e-02 
4.40 -6.182274854e-02 
4.42 -6.020028214e-02 
4.44 -5.862644911e-02 
4.46 -5.709963503e-02 
4.48 -5.561807543e-02 
4.50 -5.417926977e-02 
4.52 -5.278067585e-02 
4.54 -5.141992406e-02 
4.56 -5.009481145e-02 
4.58 -4.880329587e-02 
4.60 -4.754349013e-02 
4.62 -4.631365615e-02 
4.64 -4.511219928e-02 
4.66 -4.393766250e-02 
4.68 -4.278872075e-02 
4.70 -4.166417530e-02 
4.72 -4.056294807e-02 
4.74 -3.948407610e-02 
4.76 -3.842670596e-02 
4.78 -3.739008819e-02 
4.80 -3.637357188e-02 
4.82 -3.537659915e-02 
4.84 -3.439869972e-02 
4.86 -3.343948550e-02 
4.88 -3.249864522e-02 
4.90 -3.157593906e-02 
4.92 -3.067119332e-02 
4.94 -2.978429512e-02 
4.96 -2.891518711e-02 
4.98 -2.806386221e-02 
5.00 -2.723035838e-02 
5.02 -2.641475339e-02 
5.04 -2.561715963e-02 
5.06 -2.483771893e-02 
5.08 -2.407659742e-02 
5.10 -2.333398036e-02 
5.12 -2.261006704e-02 
5.14 -2.190506569e-02 
5.16 -2.121916682e-02 
5.18 -2.055207691e-02 
5.20 -1.990306686e-02 
5.22 -1.927146183e-02 
5.24 -1.865665579e-02 
5.26 -1.805810402e-02 
5.28 -1.747531560e-02 
5.30 -1.690784596e-02 
5.32 -1.635528934e-02 
5.34 -1.581727132e-02 
5.36 -1.529344132e-02 
5.38 -1.478346510e-02 
5.40 -1.428701729e-02 
5.42 -1.380377386e-02 
5.44 -1.333340466e-02 
5.46 -1.287556592e-02 
5.48 -1.242989272e-02 
5.50 -1.199599157e-02 
5.52 -1.157343282e-02 
5.54 -1.116174325e-02 
5.56 -1.076039854e-02 
5.58 -1.036881579e-02 
5.60 -9.986345981e-03 
5.62 -9.612266557e-03 
5.64 -9.245773872e-03 
5.66 -8.885975718e-03 
5.68 -8.531883832e-03 
5.70 -8.182406398e-03 
5.72 -7.836343310e-03 
5.74 -7.492893076e-03 
5.76 -7.152311799e-03 
5.78 -6.815013826e-03 
5.80 -6.481429407e-03 
5.82 -6.152001848e-03 
5.84 -5.827184676e-03 
5.86 -5.507438793e-03 
5.88 -5.193229643e-03 
5.90 -4.885024366e-03 
5.92 -4.583288960e-03 
5.94 -4.288485441e-03 
5.96 -4.001069002e-03 
5.98 -3.721485173e-03 
6.00 -3.450166979e-03