# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Co-Cr
# implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1
# composition = CoCr2
# 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 2024-11-27

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  3.776288937e+05 
0.94  2.857189619e+05 
0.96  2.171639259e+05 
0.98  1.657674919e+05 
1.00  1.270475009e+05 
1.02  9.774182084e+04 
1.04  7.546325012e+04 
1.06  5.845514127e+04 
1.08  4.541785099e+04 
1.10  3.538515871e+04 
1.12  2.763544964e+04 
1.14  2.162734440e+04 
1.16  1.695721641e+04 
1.18  1.332624296e+04 
1.20  1.049568811e+04 
1.22  8.283081765e+03 
1.24  6.549049875e+03 
1.26  5.186769685e+03 
1.28  4.114123456e+03 
1.30  3.267762914e+03 
1.32  2.598627414e+03 
1.34  2.068619807e+03 
1.36  1.648083548e+03 
1.38  1.313883767e+03 
1.40  1.047935221e+03 
1.42  8.360728524e+02 
1.44  6.671564233e+02 
1.46  5.323741559e+02 
1.48  4.247435853e+02 
1.50  3.387259683e+02 
1.52  2.699233722e+02 
1.54  2.148434947e+02 
1.56  1.707154487e+02 
1.58  1.353242691e+02 
1.60  1.069283327e+02 
1.62  8.417088249e+01 
1.64  6.596914953e+01 
1.66  5.144312808e+01 
1.68  3.987642750e+01 
1.70  3.068802805e+01 
1.72  2.340872973e+01 
1.74  1.765592947e+01 
1.76  1.311731220e+01 
1.78  9.541693975e+00 
1.80  6.728041402e+00 
1.82  4.500455026e+00 
1.84  2.722689888e+00 
1.86  1.303722132e+00 
1.88  1.748845684e-01 
1.90 -7.163435509e-01 
1.92 -1.410033821e+00 
1.94 -1.937953978e+00 
1.96 -2.334130429e+00 
1.98 -2.632368730e+00 
2.00 -2.861653582e+00 
2.02 -3.044867252e+00 
2.04 -3.199163585e+00 
2.06 -3.336935095e+00 
2.08 -3.466073453e+00 
2.10 -3.590368810e+00 
2.12 -3.710835453e+00 
2.14 -3.827120203e+00 
2.16 -3.938225448e+00 
2.18 -4.042823807e+00 
2.20 -4.139610988e+00 
2.22 -4.227567412e+00 
2.24 -4.306061457e+00 
2.26 -4.374835844e+00 
2.28 -4.433950874e+00 
2.30 -4.483689042e+00 
2.32 -4.524485834e+00 
2.34 -4.556967072e+00 
2.36 -4.581941256e+00 
2.38 -4.600157317e+00 
2.40 -4.612082958e+00 
2.42 -4.617972390e+00 
2.44 -4.618573370e+00 
2.46 -4.615179991e+00 
2.48 -4.608627898e+00 
2.50 -4.598606179e+00 
2.52 -4.582977237e+00 
2.54 -4.558295331e+00 
2.56 -4.522393305e+00 
2.58 -4.474492844e+00 
2.60 -4.414669816e+00 
2.62 -4.343505106e+00 
2.64 -4.262258291e+00 
2.66 -4.172952635e+00 
2.68 -4.077977305e+00 
2.70 -3.979767366e+00 
2.72 -3.880600223e+00 
2.74 -3.782484530e+00 
2.76 -3.687042328e+00 
2.78 -3.595300425e+00 
2.80 -3.507765962e+00 
2.82 -3.424610155e+00 
2.84 -3.345722677e+00 
2.86 -3.270717679e+00 
2.88 -3.199014158e+00 
2.90 -3.129898151e+00 
2.92 -3.062558139e+00 
2.94 -2.996110730e+00 
2.96 -2.929622687e+00 
2.98 -2.862418986e+00 
3.00 -2.794328934e+00 
3.02 -2.725607560e+00 
3.04 -2.656806145e+00 
3.06 -2.588624637e+00 
3.08 -2.521792717e+00 
3.10 -2.456968446e+00 
3.12 -2.394657819e+00 
3.14 -2.335162405e+00 
3.16 -2.278579844e+00 
3.18 -2.224892333e+00 
3.20 -2.174013292e+00 
3.22 -2.125796683e+00 
3.24 -2.080047819e+00 
3.26 -2.036535849e+00 
3.28 -1.995007005e+00 
3.30 -1.955197775e+00 
3.32 -1.916847336e+00 
3.34 -1.879708653e+00 
3.36 -1.843557786e+00 
3.38 -1.808201072e+00 
3.40 -1.773479932e+00 
3.42 -1.739273216e+00 
3.44 -1.705497071e+00 
3.46 -1.672102469e+00 
3.48 -1.639070618e+00 
3.50 -1.606406622e+00 
3.52 -1.574131851e+00 
3.54 -1.542275618e+00 
3.56 -1.510866855e+00 
3.58 -1.479926613e+00 
3.60 -1.449462327e+00 
3.62 -1.419464883e+00 
3.64 -1.389909678e+00 
3.66 -1.360762935e+00 
3.68 -1.331994673e+00 
3.70 -1.303594105e+00 
3.72 -1.275562431e+00 
3.74 -1.247903604e+00 
3.76 -1.220623989e+00 
3.78 -1.193732390e+00 
3.80 -1.167240043e+00 
3.82 -1.141160549e+00 
3.84 -1.115509714e+00 
3.86 -1.090305300e+00 
3.88 -1.065566650e+00 
3.90 -1.041314167e+00 
3.92 -1.017568621e+00 
3.94 -9.943502584e-01 
3.96 -9.716776767e-01 
3.98 -9.495664520e-01 
4.00 -9.280274581e-01 
4.02 -9.070648804e-01 
4.04 -8.866738685e-01 
4.06 -8.668378175e-01 
4.08 -8.475251182e-01 
4.10 -8.286854988e-01 
4.12 -8.102459884e-01 
4.14 -7.921060463e-01 
4.16 -7.741321434e-01 
4.18 -7.561603349e-01 
4.20 -7.380462022e-01 
4.22 -7.196970844e-01 
4.24 -7.010633657e-01 
4.26 -6.821305778e-01 
4.28 -6.629107867e-01 
4.30 -6.434377481e-01 
4.32 -6.237593001e-01 
4.34 -6.039361335e-01 
4.36 -5.840343358e-01 
4.38 -5.641260857e-01 
4.40 -5.442864859e-01 
4.42 -5.245880461e-01 
4.44 -5.051063998e-01 
4.46 -4.859153114e-01 
4.48 -4.670804481e-01 
4.50 -4.486703271e-01 
4.52 -4.307526353e-01 
4.54 -4.133813720e-01 
4.56 -3.966043801e-01 
4.58 -3.804772222e-01 
4.60 -3.650496119e-01 
4.62 -3.503460088e-01 
4.64 -3.362645006e-01 
4.66 -3.228939695e-01 
4.68 -3.103306146e-01 
4.70 -2.986247649e-01 
4.72 -2.877864357e-01 
4.74 -2.777974323e-01 
4.76 -2.686514385e-01 
4.78 -2.599943675e-01 
4.80 -2.514359594e-01 
4.82 -2.425912007e-01 
4.84 -2.330929527e-01 
4.86 -2.228193597e-01 
4.88 -2.117450068e-01 
4.90 -1.999042613e-01 
4.92 -1.873789120e-01 
4.94 -1.743083064e-01 
4.96 -1.607678137e-01 
4.98 -1.468420378e-01 
5.00 -1.326473381e-01 
5.02 -1.183200228e-01 
5.04 -1.040064462e-01 
5.06 -8.985484929e-02 
5.08 -7.600880108e-02 
5.10 -6.258403604e-02 
5.12 -4.974322612e-02 
5.14 -3.765634583e-02 
5.16 -2.644786273e-02 
5.18 -1.620423661e-02 
5.20 -6.981066939e-03 
5.22  1.190485871e-03 
5.24  8.301210300e-03 
5.26  1.436209487e-02 
5.28  1.940124070e-02 
5.30  2.346100255e-02 
5.32  2.659540890e-02 
5.34  2.886781880e-02 
5.36  3.034878280e-02 
5.38  3.111408380e-02 
5.40  3.124294021e-02 
5.42  3.081635934e-02 
5.44  2.991563337e-02 
5.46  2.862097343e-02 
5.48  2.701028007e-02 
5.50  2.515804997e-02 
5.52  2.313442004e-02 
5.54  2.100435040e-02 
5.56  1.882694822e-02 
5.58  1.665493370e-02 
5.60  1.453424910e-02 
5.62  1.250381078e-02 
5.64  1.059540288e-02 
5.66  8.833710131e-03 
5.68  7.236485645e-03 
5.70  5.814847818e-03 
5.72  4.573698820e-03 
5.74  3.512255199e-03 
5.76  2.624679229e-03 
5.78  1.900797607e-03 
5.80  1.326892119e-03 
5.82  8.865447741e-04 
5.84  5.615178645e-04 
5.86  3.326472715e-04 
5.88  1.807252402e-04 
5.90  8.734671107e-05 
5.92  3.569117382e-05 
5.94  1.120987751e-05 
5.96  2.186104187e-06 
5.98  1.340833365e-07 
6.00  4.869757036e-14