# 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 = Co2Mn
# 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  6.703577060e+04 
1.02  5.280563073e+04 
1.04  4.178436734e+04 
1.06  3.320682724e+04 
1.08  2.649994189e+04 
1.10  2.123216025e+04 
1.12  1.707679424e+04 
1.14  1.378528498e+04 
1.16  1.116759357e+04 
1.18  9.077739621e+03 
1.20  7.403078083e+03 
1.22  6.056306897e+03 
1.24  4.969478889e+03 
1.26  4.089494625e+03 
1.28  3.374693788e+03 
1.30  2.792265034e+03 
1.32  2.316271244e+03 
1.34  1.926136081e+03 
1.36  1.605478802e+03 
1.38  1.341215023e+03 
1.40  1.122859527e+03 
1.42  9.419831218e+02 
1.44  7.917886251e+02 
1.46  6.667789593e+02 
1.48  5.624957662e+02 
1.50  4.753132504e+02 
1.52  4.022744413e+02 
1.54  3.409614975e+02 
1.56  2.893921276e+02 
1.58  2.459369730e+02 
1.60  2.092538490e+02 
1.62  1.782343940e+02 
1.64  1.519609021e+02 
1.66  1.296720246e+02 
1.68  1.107348070e+02 
1.70  9.462193911e+01 
1.72  8.089331085e+01 
1.74  6.918093007e+01 
1.76  5.917644184e+01 
1.78  5.062086038e+01 
1.80  4.329636031e+01 
1.82  3.701948092e+01 
1.84  3.163533096e+01 
1.86  2.701296919e+01 
1.88  2.304158768e+01 
1.90  1.962729291e+01 
1.92  1.669043139e+01 
1.94  1.416324001e+01 
1.96  1.198788775e+01 
1.98  1.011489732e+01 
2.00  8.501991149e+00 
2.02  7.113029676e+00 
2.04  5.917087981e+00 
2.06  4.887591167e+00 
2.08  4.001723002e+00 
2.10  3.239880999e+00 
2.12  2.585196392e+00 
2.14  2.023143708e+00 
2.16  1.541210680e+00 
2.18  1.128618748e+00 
2.20  7.760861993e-01 
2.22  4.756015690e-01 
2.24  2.201650717e-01 
2.26  3.706183373e-03 
2.28 -1.790202566e-01 
2.30 -3.325476191e-01 
2.32 -4.607886394e-01 
2.34 -5.671136456e-01 
2.36 -6.544699169e-01 
2.38 -7.254843189e-01 
2.40 -7.824485872e-01 
2.42 -8.273554220e-01 
2.44 -8.619352018e-01 
2.46 -8.876874368e-01 
2.48 -9.059077038e-01 
2.50 -9.177106986e-01 
2.52 -9.240499444e-01 
2.54 -9.257346222e-01 
2.56 -9.234440012e-01 
2.58 -9.177603337e-01 
2.60 -9.092096218e-01 
2.62 -8.982356436e-01 
2.64 -8.852144698e-01 
2.66 -8.705019214e-01 
2.68 -8.544195662e-01 
2.70 -8.372455135e-01 
2.72 -8.192103182e-01 
2.74 -8.005040936e-01 
2.76 -7.812902327e-01 
2.78 -7.617089317e-01 
2.80 -7.418798751e-01 
2.82 -7.219045255e-01 
2.84 -7.018680676e-01 
2.86 -6.818410541e-01 
2.88 -6.618851948e-01 
2.90 -6.420642658e-01 
2.92 -6.224364222e-01 
2.94 -6.030530154e-01 
2.96 -5.839594078e-01 
2.98 -5.651956515e-01 
3.00 -5.467970479e-01 
3.02 -5.287946029e-01 
3.04 -5.112153898e-01 
3.06 -4.940828318e-01 
3.08 -4.774169135e-01 
3.10 -4.612343299e-01 
3.12 -4.455485811e-01 
3.14 -4.303700185e-01 
3.16 -4.157057978e-01 
3.18 -4.015565610e-01 
3.20 -3.879149379e-01 
3.22 -3.747709944e-01 
3.24 -3.621125901e-01 
3.26 -3.499251719e-01 
3.28 -3.381915490e-01 
3.30 -3.268916483e-01 
3.32 -3.160041530e-01 
3.34 -3.055124767e-01 
3.36 -2.953997901e-01 
3.38 -2.856470488e-01 
3.40 -2.762327752e-01 
3.42 -2.671328322e-01 
3.44 -2.583201896e-01 
3.46 -2.497661029e-01 
3.48 -2.414559435e-01 
3.50 -2.333857058e-01 
3.52 -2.255520213e-01 
3.54 -2.179519300e-01 
3.56 -2.105828275e-01 
3.58 -2.034424090e-01 
3.60 -1.965286114e-01 
3.62 -1.898395520e-01 
3.64 -1.833734662e-01 
3.66 -1.771286427e-01 
3.68 -1.711033578e-01 
3.70 -1.652958073e-01 
3.72 -1.597040387e-01 
3.74 -1.543258813e-01 
3.76 -1.491588758e-01 
3.78 -1.442002030e-01 
3.80 -1.394466122e-01 
3.82 -1.348943489e-01 
3.84 -1.305390816e-01 
3.86 -1.263758291e-01 
3.88 -1.223988867e-01 
3.90 -1.186017524e-01 
3.92 -1.149770531e-01 
3.94 -1.115164703e-01 
3.96 -1.082106659e-01 
3.98 -1.050492077e-01 
4.00 -1.020204949e-01 
4.02 -9.911168380e-02 
4.04 -9.630861313e-02 
4.06 -9.359748237e-02 
4.08 -9.097250151e-02 
4.10 -8.843070213e-02 
4.12 -8.596922177e-02 
4.14 -8.358529932e-02 
4.16 -8.127627171e-02 
4.18 -7.903957068e-02 
4.20 -7.687271963e-02 
4.22 -7.477333044e-02 
4.24 -7.273910050e-02 
4.26 -7.076780975e-02 
4.28 -6.885731774e-02 
4.30 -6.700556088e-02 
4.32 -6.521054969e-02 
4.34 -6.347036618e-02 
4.36 -6.178316123e-02 
4.38 -6.014715219e-02 
4.40 -5.856062038e-02 
4.42 -5.702190882e-02 
4.44 -5.552941997e-02 
4.46 -5.408161353e-02 
4.48 -5.267681511e-02 
4.50 -5.131268150e-02 
4.52 -4.998683396e-02 
4.54 -4.869705361e-02 
4.56 -4.744127588e-02 
4.58 -4.621758507e-02 
4.60 -4.502420894e-02 
4.62 -4.385951329e-02 
4.64 -4.272199665e-02 
4.66 -4.161028498e-02 
4.68 -4.052312636e-02 
4.70 -3.945938577e-02 
4.72 -3.841803993e-02 
4.74 -3.739817207e-02 
4.76 -3.639896683e-02 
4.78 -3.541970513e-02 
4.80 -3.445975916e-02 
4.82 -3.351858725e-02 
4.84 -3.259572891e-02 
4.86 -3.169079984e-02 
4.88 -3.080348694e-02 
4.90 -2.993354342e-02 
4.92 -2.908078384e-02 
4.94 -2.824507928e-02 
4.96 -2.742635242e-02 
4.98 -2.662457277e-02 
5.00 -2.583975178e-02 
5.02 -2.507193809e-02 
5.04 -2.432121275e-02 
5.06 -2.358768446e-02 
5.08 -2.287148482e-02 
5.10 -2.217276362e-02 
5.12 -2.149168416e-02 
5.14 -2.082841853e-02 
5.16 -2.018312232e-02 
5.18 -1.955548835e-02 
5.20 -1.894479316e-02 
5.22 -1.835036635e-02 
5.24 -1.777160465e-02 
5.26 -1.720796497e-02 
5.28 -1.665895745e-02 
5.30 -1.612413844e-02 
5.32 -1.560310358e-02 
5.34 -1.509548082e-02 
5.36 -1.460092343e-02 
5.38 -1.411910307e-02 
5.40 -1.364970278e-02 
5.42 -1.319241002e-02 
5.44 -1.274690974e-02 
5.46 -1.231287736e-02 
5.48 -1.188997183e-02 
5.50 -1.147782867e-02 
5.52 -1.107605295e-02 
5.54 -1.068421240e-02 
5.56 -1.030183037e-02 
5.58 -9.928378907e-03 
5.60 -9.563271757e-03 
5.62 -9.205857419e-03 
5.64 -8.855412162e-03 
5.66 -8.511133063e-03 
5.68 -8.172131035e-03 
5.70 -7.837423861e-03 
5.72 -7.505931738e-03 
5.74 -7.176939773e-03 
5.76 -6.850699269e-03 
5.78 -6.527606816e-03 
5.80 -6.208074243e-03 
5.82 -5.892525905e-03 
5.84 -5.581395955e-03 
5.86 -5.275125627e-03 
5.88 -4.974160514e-03 
5.90 -4.678947849e-03 
5.92 -4.389933783e-03 
5.94 -4.107560662e-03 
5.96 -3.832264311e-03 
5.98 -3.564471310e-03 
6.00 -3.304596272e-03