# 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 = CoMn2
# 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  7.158281267e+04 
1.02  5.639143083e+04 
1.04  4.462525003e+04 
1.06  3.546758893e+04 
1.08  2.830677885e+04 
1.10  2.268219457e+04 
1.12  1.824513325e+04 
1.14  1.473028178e+04 
1.16  1.193478805e+04 
1.18  9.702826077e+03 
1.20  7.914150936e+03 
1.22  6.475568312e+03 
1.24  5.314543190e+03 
1.26  4.374389214e+03 
1.28  3.610630510e+03 
1.30  2.988237126e+03 
1.32  2.479517165e+03 
1.34  2.062501340e+03 
1.36  1.719699284e+03 
1.38  1.437139666e+03 
1.40  1.203625962e+03 
1.42  1.010156715e+03 
1.44  8.494728957e+02 
1.46  7.157035597e+02 
1.48  6.040868054e+02 
1.50  5.107496798e+02 
1.52  4.325333995e+02 
1.54  3.668548857e+02 
1.56  3.115962054e+02 
1.58  2.650163653e+02 
1.60  2.256810697e+02 
1.62  1.924057735e+02 
1.64  1.642096104e+02 
1.66  1.402787426e+02 
1.68  1.199364959e+02 
1.70  1.026190631e+02 
1.72  8.785579872e+01 
1.74  7.525310847e+01 
1.76  6.448113198e+01 
1.78  5.526278106e+01 
1.80  4.736495994e+01 
1.82  4.059130102e+01 
1.84  3.477598436e+01 
1.86  2.977879713e+01 
1.88  2.548105022e+01 
1.90  2.178213831e+01 
1.92  1.859668187e+01 
1.94  1.585202905e+01 
1.96  1.348616765e+01 
1.98  1.144603652e+01 
2.00  9.686281213e+00 
2.02  8.168115705e+00 
2.04  6.858334898e+00 
2.06  5.728398103e+00 
2.08  4.753791622e+00 
2.10  3.913444911e+00 
2.12  3.189217761e+00 
2.14  2.565482009e+00 
2.16  2.028767737e+00 
2.18  1.567463559e+00 
2.20  1.171562500e+00 
2.22  8.324206431e-01 
2.24  5.424859123e-01 
2.26  2.952047377e-01 
2.28  8.490885982e-02 
2.30 -9.330617523e-02 
2.32 -2.436790771e-01 
2.34 -3.698669948e-01 
2.36 -4.750693006e-01 
2.38 -5.621340530e-01 
2.40 -6.335480117e-01 
2.42 -6.914761580e-01 
2.44 -7.378013071e-01 
2.46 -7.741580828e-01 
2.48 -8.019620507e-01 
2.50 -8.224346883e-01 
2.52 -8.366247717e-01 
2.54 -8.454266742e-01 
2.56 -8.495960815e-01 
2.58 -8.497831783e-01 
2.60 -8.465731689e-01 
2.62 -8.404625844e-01 
2.64 -8.318745993e-01 
2.66 -8.212071149e-01 
2.68 -8.088193257e-01 
2.70 -7.950230184e-01 
2.72 -7.800789181e-01 
2.74 -7.642041938e-01 
2.76 -7.475865264e-01 
2.78 -7.303879387e-01 
2.80 -7.127477528e-01 
2.82 -6.947851216e-01 
2.84 -6.766011873e-01 
2.86 -6.582809187e-01 
2.88 -6.398990101e-01 
2.90 -6.215308084e-01 
2.92 -6.032448800e-01 
2.94 -5.851019765e-01 
2.96 -5.671559557e-01 
2.98 -5.494545549e-01 
3.00 -5.320400362e-01 
3.02 -5.149497180e-01 
3.04 -4.982164063e-01 
3.06 -4.818687395e-01 
3.08 -4.659314552e-01 
3.10 -4.504255899e-01 
3.12 -4.353686190e-01 
3.14 -4.207745437e-01 
3.16 -4.066538831e-01 
3.18 -3.930104308e-01 
3.20 -3.798398071e-01 
3.22 -3.671348641e-01 
3.24 -3.548860631e-01 
3.26 -3.430812926e-01 
3.28 -3.317056648e-01 
3.30 -3.207412921e-01 
3.32 -3.101688677e-01 
3.34 -2.999734028e-01 
3.36 -2.901394608e-01 
3.38 -2.806492673e-01 
3.40 -2.714825031e-01 
3.42 -2.626160874e-01 
3.44 -2.540239531e-01 
3.46 -2.456782332e-01 
3.48 -2.375650995e-01 
3.50 -2.296812755e-01 
3.52 -2.220240577e-01 
3.54 -2.145910922e-01 
3.56 -2.073803273e-01 
3.58 -2.003899634e-01 
3.60 -1.936183983e-01 
3.62 -1.870641716e-01 
3.64 -1.807259054e-01 
3.66 -1.746022443e-01 
3.68 -1.686917920e-01 
3.70 -1.629930479e-01 
3.72 -1.575043415e-01 
3.74 -1.522237656e-01 
3.76 -1.471491089e-01 
3.78 -1.422777875e-01 
3.80 -1.376067751e-01 
3.82 -1.331325337e-01 
3.84 -1.288509426e-01 
3.86 -1.247572277e-01 
3.88 -1.208458896e-01 
3.90 -1.171106324e-01 
3.92 -1.135442910e-01 
3.94 -1.101387594e-01 
3.96 -1.068849175e-01 
3.98 -1.037725591e-01 
4.00 -1.007903185e-01 
4.02 -9.792559800e-02 
4.04 -9.516449471e-02 
4.06 -9.249345645e-02 
4.08 -8.990682698e-02 
4.10 -8.740172854e-02 
4.12 -8.497538386e-02 
4.14 -8.262511193e-02 
4.16 -8.034832501e-02 
4.18 -7.814252576e-02 
4.20 -7.600530432e-02 
4.22 -7.393433549e-02 
4.24 -7.192737593e-02 
4.26 -6.998226146e-02 
4.28 -6.809690437e-02 
4.30 -6.626929084e-02 
4.32 -6.449747840e-02 
4.34 -6.277959344e-02 
4.36 -6.111382883e-02 
4.38 -5.949844156e-02 
4.40 -5.793175053e-02 
4.42 -5.641213427e-02 
4.44 -5.493802886e-02 
4.46 -5.350792589e-02 
4.48 -5.212018831e-02 
4.50 -5.077253604e-02 
4.52 -4.946265549e-02 
4.54 -4.818838753e-02 
4.56 -4.694772214e-02 
4.58 -4.573879314e-02 
4.60 -4.455987293e-02 
4.62 -4.340936731e-02 
4.64 -4.228581029e-02 
4.66 -4.118785899e-02 
4.68 -4.011428853e-02 
4.70 -3.906398697e-02 
4.72 -3.803595028e-02 
4.74 -3.702927738e-02 
4.76 -3.604316516e-02 
4.78 -3.507690357e-02 
4.80 -3.412987068e-02 
4.82 -3.320152790e-02 
4.84 -3.229141505e-02 
4.86 -3.139914563e-02 
4.88 -3.052440196e-02 
4.90 -2.966693052e-02 
4.92 -2.882653712e-02 
4.94 -2.800308228e-02 
4.96 -2.719647646e-02 
4.98 -2.640667550e-02 
5.00 -2.563367588e-02 
5.02 -2.487751018e-02 
5.04 -2.413824245e-02 
5.06 -2.341596363e-02 
5.08 -2.271078699e-02 
5.10 -2.202284362e-02 
5.12 -2.135227786e-02 
5.14 -2.069924282e-02 
5.16 -2.006387527e-02 
5.18 -1.944584950e-02 
5.20 -1.884442404e-02 
5.22 -1.825891113e-02 
5.24 -1.768869100e-02 
5.26 -1.713320512e-02 
5.28 -1.659194934e-02 
5.30 -1.606446718e-02 
5.32 -1.555034297e-02 
5.34 -1.504919510e-02 
5.36 -1.456066922e-02 
5.38 -1.408443145e-02 
5.40 -1.362016157e-02 
5.42 -1.316754627e-02 
5.44 -1.272627233e-02 
5.46 -1.229601985e-02 
5.48 -1.187645541e-02 
5.50 -1.146722535e-02 
5.52 -1.106794894e-02 
5.54 -1.067821159e-02 
5.56 -1.029755807e-02 
5.58 -9.925485711e-03 
5.60 -9.561437622e-03 
5.62 -9.204795896e-03 
5.64 -8.854874820e-03 
5.66 -8.510914088e-03 
5.68 -8.172072003e-03 
5.70 -7.837418695e-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