# 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 = Cr2Fe
# 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  6.276327248e+04 
1.02  4.943113104e+04 
1.04  3.910634312e+04 
1.06  3.107168678e+04 
1.08  2.479000914e+04 
1.10  1.985681961e+04 
1.12  1.596592708e+04 
1.14  1.288437760e+04 
1.16  1.043407120e+04 
1.18  8.478205283e+03 
1.20  6.911222518e+03 
1.22  5.651318990e+03 
1.24  4.634830939e+03 
1.26  3.812009940e+03 
1.28  3.143827839e+03 
1.30  2.599548830e+03 
1.32  2.154878689e+03 
1.34  1.790546342e+03 
1.36  1.491211718e+03 
1.38  1.244623048e+03 
1.40  1.040963546e+03 
1.42  8.723423915e+02 
1.44  7.323973988e+02 
1.46  6.159841024e+02 
1.48  5.189308562e+02 
1.50  4.378457137e+02 
1.52  3.699629594e+02 
1.54  3.130216183e+02 
1.56  2.651683930e+02 
1.58  2.248802719e+02 
1.60  1.909030148e+02 
1.62  1.622011616e+02 
1.64  1.379175513e+02 
1.66  1.173412629e+02 
1.68  9.988144977e+01 
1.70  8.504604641e+01 
1.72  7.242452088e+01 
1.74  6.167376825e+01 
1.76  5.250641500e+01 
1.78  4.468118875e+01 
1.80  3.799526071e+01 
1.82  3.227790156e+01 
1.84  2.738503841e+01 
1.86  2.319494708e+01 
1.88  1.960469561e+01 
1.90  1.652713632e+01 
1.92  1.388840804e+01 
1.94  1.162572255e+01 
1.96  9.685518165e+00 
1.98  8.021981370e+00 
2.00  6.595997346e+00 
2.02  5.374165308e+00 
2.04  4.327936738e+00 
2.06  3.432793680e+00 
2.08  2.667709045e+00 
2.10  2.014640305e+00 
2.12  1.458080148e+00 
2.14  9.846940404e-01 
2.16  5.830141655e-01 
2.18  2.431805649e-01 
2.20 -4.327793974e-02 
2.22 -2.836579398e-01 
2.24 -4.843368398e-01 
2.26 -6.508366008e-01 
2.28 -7.879154229e-01 
2.30 -8.996736105e-01 
2.32 -9.896373578e-01 
2.34 -1.060830601e+00 
2.36 -1.115894775e+00 
2.38 -1.157191749e+00 
2.40 -1.186777611e+00 
2.42 -1.206434363e+00 
2.44 -1.217703439e+00 
2.46 -1.221914341e+00 
2.48 -1.220209085e+00 
2.50 -1.213563045e+00 
2.52 -1.202802705e+00 
2.54 -1.188620739e+00 
2.56 -1.171588890e+00 
2.58 -1.152191445e+00 
2.60 -1.130867657e+00 
2.62 -1.107981305e+00 
2.64 -1.083835017e+00 
2.66 -1.058721506e+00 
2.68 -1.032906502e+00 
2.70 -1.006617214e+00 
2.72 -9.800366498e-01 
2.74 -9.533105470e-01 
2.76 -9.265617901e-01 
2.78 -8.998935678e-01 
2.80 -8.733916880e-01 
2.82 -8.471265308e-01 
2.84 -8.211546852e-01 
2.86 -7.955203149e-01 
2.88 -7.702611910e-01 
2.90 -7.454204740e-01 
2.92 -7.210378270e-01 
2.94 -6.971478096e-01 
2.96 -6.737805279e-01 
2.98 -6.509621622e-01 
3.00 -6.287153864e-01 
3.02 -6.070596941e-01 
3.04 -5.860116409e-01 
3.06 -5.655850152e-01 
3.08 -5.457909454e-01 
3.10 -5.266379515e-01 
3.12 -5.081319471e-01 
3.14 -4.902761999e-01 
3.16 -4.730711978e-01 
3.18 -4.565108816e-01 
3.20 -4.405809120e-01 
3.22 -4.252646743e-01 
3.24 -4.105436238e-01 
3.26 -3.963970092e-01 
3.28 -3.828015794e-01 
3.30 -3.697312735e-01 
3.32 -3.571589778e-01 
3.34 -3.450630358e-01 
3.36 -3.334217667e-01 
3.38 -3.222112746e-01 
3.40 -3.114051817e-01 
3.42 -3.009743550e-01 
3.44 -2.908866268e-01 
3.46 -2.811080913e-01 
3.48 -2.716207365e-01 
3.50 -2.624185365e-01 
3.52 -2.534963063e-01 
3.54 -2.448494358e-01 
3.56 -2.364738199e-01 
3.58 -2.283657874e-01 
3.60 -2.205220267e-01 
3.62 -2.129395108e-01 
3.64 -2.056154200e-01 
3.66 -1.985470635e-01 
3.68 -1.917318001e-01 
3.70 -1.851669578e-01 
3.72 -1.788497521e-01 
3.74 -1.727772045e-01 
3.76 -1.669460598e-01 
3.78 -1.613527032e-01 
3.80 -1.559930768e-01 
3.82 -1.508625960e-01 
3.84 -1.459560656e-01 
3.86 -1.412675957e-01 
3.88 -1.367905175e-01 
3.90 -1.325172986e-01 
3.92 -1.284394592e-01 
3.94 -1.245474874e-01 
3.96 -1.208307547e-01 
3.98 -1.172774316e-01 
4.00 -1.138744037e-01 
4.02 -1.106071868e-01 
4.04 -1.074598432e-01 
4.06 -1.044168495e-01 
4.08 -1.014716145e-01 
4.10 -9.862070000e-02 
4.12 -9.586079556e-02 
4.14 -9.318871270e-02 
4.16 -9.060138052e-02 
4.18 -8.809584142e-02 
4.20 -8.566924703e-02 
4.22 -8.331885413e-02 
4.24 -8.104202084e-02 
4.26 -7.883620281e-02 
4.28 -7.669894961e-02 
4.30 -7.462790122e-02 
4.32 -7.262078462e-02 
4.34 -7.067541052e-02 
4.36 -6.878967020e-02 
4.38 -6.696153244e-02 
4.40 -6.518904062e-02 
4.42 -6.347030982e-02 
4.44 -6.180352417e-02 
4.46 -6.018693412e-02 
4.48 -5.861864658e-02 
4.50 -5.709603841e-02 
4.52 -5.561645060e-02 
4.54 -5.417740218e-02 
4.56 -5.277658399e-02 
4.58 -5.141185253e-02 
4.60 -5.008122390e-02 
4.62 -4.878286769e-02 
4.64 -4.751510107e-02 
4.66 -4.627638277e-02 
4.68 -4.506530723e-02 
4.70 -4.388059875e-02 
4.72 -4.272110567e-02 
4.74 -4.158579461e-02 
4.76 -4.047374478e-02 
4.78 -3.938414228e-02 
4.80 -3.831627443e-02 
4.82 -3.726952425e-02 
4.84 -3.624336482e-02 
4.86 -3.523735379e-02 
4.88 -3.425112787e-02 
4.90 -3.328439735e-02 
4.92 -3.233694073e-02 
4.94 -3.140859922e-02 
4.96 -3.049927146e-02 
4.98 -2.960890811e-02 
5.00 -2.873750655e-02 
5.02 -2.788510560e-02 
5.04 -2.705178023e-02 
5.06 -2.623763632e-02 
5.08 -2.544280546e-02 
5.10 -2.466743969e-02 
5.12 -2.391170638e-02 
5.14 -2.317578306e-02 
5.16 -2.245982927e-02 
5.18 -2.176348955e-02 
5.20 -2.108594532e-02 
5.22 -2.042643759e-02 
5.24 -1.978428276e-02 
5.26 -1.915886491e-02 
5.28 -1.854962815e-02 
5.30 -1.795606890e-02 
5.32 -1.737772823e-02 
5.34 -1.681418414e-02 
5.36 -1.626504389e-02 
5.38 -1.572993633e-02 
5.40 -1.520850417e-02 
5.42 -1.470039632e-02 
5.44 -1.420526021e-02 
5.46 -1.372273407e-02 
5.48 -1.325243929e-02 
5.50 -1.279397267e-02 
5.52 -1.234689879e-02 
5.54 -1.191074229e-02 
5.56 -1.148498018e-02 
5.58 -1.106903418e-02 
5.60 -1.066226300e-02 
5.62 -1.026395468e-02 
5.64 -9.873318867e-03 
5.66 -9.489479175e-03 
5.68 -9.111465451e-03 
5.70 -8.738206115e-03 
5.72 -8.368523217e-03 
5.74 -8.001639149e-03 
5.76 -7.637835431e-03 
5.78 -7.277553169e-03 
5.80 -6.921250513e-03 
5.82 -6.569399623e-03 
5.84 -6.222483636e-03 
5.86 -5.880993629e-03 
5.88 -5.545425586e-03 
5.90 -5.216277361e-03 
5.92 -4.894045650e-03 
5.94 -4.579222948e-03 
5.96 -4.272294522e-03 
5.98 -3.973735372e-03 
6.00 -3.684007198e-03