# 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 = Co2Cr
# 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  4.820285079e+05 
0.94  4.000469861e+05 
0.96  3.247708970e+05 
0.98  2.555284041e+05 
1.00  1.972427125e+05 
1.02  1.528997213e+05 
1.04  1.190062615e+05 
1.06  9.298193822e+04 
1.08  7.291183181e+04 
1.10  5.736751442e+04 
1.12  4.527842262e+04 
1.14  3.583828282e+04 
1.16  2.843730984e+04 
1.18  2.261230508e+04 
1.20  1.800988251e+04 
1.22  1.435938970e+04 
1.24  1.145273244e+04 
1.26  9.135428706e+03 
1.28  7.301099398e+03 
1.30  5.846681183e+03 
1.32  4.690545038e+03 
1.34  3.769303156e+03 
1.36  3.033578671e+03 
1.38  2.444788644e+03 
1.40  1.972676278e+03 
1.42  1.593456347e+03 
1.44  1.288375909e+03 
1.46  1.042577457e+03 
1.48  8.442604798e+02 
1.50  6.840302727e+02 
1.52  5.543947218e+02 
1.54  4.493722557e+02 
1.56  3.641835801e+02 
1.58  2.950104264e+02 
1.60  2.387967046e+02 
1.62  1.931005772e+02 
1.64  1.559581115e+02 
1.66  1.257724155e+02 
1.68  1.012425449e+02 
1.70  8.130882301e+01 
1.72  6.510932089e+01 
1.74  5.194332536e+01 
1.76  4.124267652e+01 
1.78  3.254847647e+01 
1.80  2.548929203e+01 
1.82  1.974793462e+01 
1.84  1.506942554e+01 
1.86  1.126112470e+01 
1.88  8.165489517e+00 
1.90  5.655006745e+00 
1.92  3.628914010e+00 
1.94  2.006395310e+00 
1.96  7.159160716e-01 
1.98 -3.062997035e-01 
2.00 -1.115385058e+00 
2.02 -1.757453040e+00 
2.04 -2.270034381e+00 
2.06 -2.682407039e+00 
2.08 -3.015365786e+00 
2.10 -3.285375371e+00 
2.12 -3.508688679e+00 
2.14 -3.697649865e+00 
2.16 -3.859483575e+00 
2.18 -3.997680980e+00 
2.20 -4.113611033e+00 
2.22 -4.208113990e+00 
2.24 -4.282113680e+00 
2.26 -4.336907968e+00 
2.28 -4.374311618e+00 
2.30 -4.396624947e+00 
2.32 -4.406537764e+00 
2.34 -4.406931879e+00 
2.36 -4.400652865e+00 
2.38 -4.390333237e+00 
2.40 -4.378185610e+00 
2.42 -4.365951002e+00 
2.44 -4.354769486e+00 
2.46 -4.344924035e+00 
2.48 -4.335774068e+00 
2.50 -4.325426116e+00 
2.52 -4.310311997e+00 
2.54 -4.286291789e+00 
2.56 -4.251379203e+00 
2.58 -4.205686955e+00 
2.60 -4.150711667e+00 
2.62 -4.088735563e+00 
2.64 -4.022360552e+00 
2.66 -3.954156827e+00 
2.68 -3.886419969e+00 
2.70 -3.821019084e+00 
2.72 -3.759321549e+00 
2.74 -3.702164869e+00 
2.76 -3.649745544e+00 
2.78 -3.601615032e+00 
2.80 -3.556865209e+00 
2.82 -3.514323046e+00 
2.84 -3.472621440e+00 
2.86 -3.430277582e+00 
2.88 -3.386026982e+00 
2.90 -3.338964779e+00 
2.92 -3.288525236e+00 
2.94 -3.234448386e+00 
2.96 -3.176747386e+00 
2.98 -3.115770150e+00 
3.00 -3.052203247e+00 
3.02 -2.986882183e+00 
3.04 -2.920676014e+00 
3.06 -2.854433073e+00 
3.08 -2.788919041e+00 
3.10 -2.724757723e+00 
3.12 -2.662382868e+00 
3.14 -2.602009691e+00 
3.16 -2.543652308e+00 
3.18 -2.487227924e+00 
3.20 -2.432620589e+00 
3.22 -2.379692120e+00 
3.24 -2.328288111e+00 
3.26 -2.278244335e+00 
3.28 -2.229393234e+00 
3.30 -2.181570184e+00 
3.32 -2.134619291e+00 
3.34 -2.088398476e+00 
3.36 -2.042783701e+00 
3.38 -1.997672179e+00 
3.40 -1.952984509e+00 
3.42 -1.908665672e+00 
3.44 -1.864684904e+00 
3.46 -1.821034482e+00 
3.48 -1.777727524e+00 
3.50 -1.734794928e+00 
3.52 -1.692281624e+00 
3.54 -1.650242382e+00 
3.56 -1.608737411e+00 
3.58 -1.567828086e+00 
3.60 -1.527573140e+00 
3.62 -1.488025726e+00 
3.64 -1.449231790e+00 
3.66 -1.411230236e+00 
3.68 -1.374055416e+00 
3.70 -1.337741114e+00 
3.72 -1.302319427e+00 
3.74 -1.267818217e+00 
3.76 -1.234260379e+00 
3.78 -1.201663265e+00 
3.80 -1.170038199e+00 
3.82 -1.139390078e+00 
3.84 -1.109717085e+00 
3.86 -1.081010503e+00 
3.88 -1.053254650e+00 
3.90 -1.026426947e+00 
3.92 -1.000498107e+00 
3.94 -9.754324818e-01 
3.96 -9.511885312e-01 
3.98 -9.277194927e-01 
4.00 -9.049741475e-01 
4.02 -8.828978300e-01 
4.04 -8.614335556e-01 
4.06 -8.405233380e-01 
4.08 -8.201097253e-01 
4.10 -8.001374999e-01 
4.12 -7.805555783e-01 
4.14 -7.613191185e-01 
4.16 -7.423918343e-01 
4.18 -7.237469075e-01 
4.20 -7.053581488e-01 
4.22 -6.871944602e-01 
4.24 -6.692218837e-01 
4.26 -6.514059323e-01 
4.28 -6.337135998e-01 
4.30 -6.161149220e-01 
4.32 -5.985848316e-01 
4.34 -5.811045055e-01 
4.36 -5.636615423e-01 
4.38 -5.462526562e-01 
4.40 -5.288814351e-01 
4.42 -5.115622202e-01 
4.44 -4.943157594e-01 
4.46 -4.771746918e-01 
4.48 -4.601755916e-01 
4.50 -4.433666196e-01 
4.52 -4.268009068e-01 
4.54 -4.105318463e-01 
4.56 -3.946266759e-01 
4.58 -3.791463186e-01 
4.60 -3.641411016e-01 
4.62 -3.496803844e-01 
4.64 -3.358262211e-01 
4.66 -3.225386732e-01 
4.68 -3.097830646e-01 
4.70 -2.977260626e-01 
4.72 -2.864677314e-01 
4.74 -2.760370264e-01 
4.76 -2.664264261e-01 
4.78 -2.575885038e-01 
4.80 -2.490443571e-01 
4.82 -2.403153041e-01 
4.84 -2.309798203e-01 
4.86 -2.208872464e-01 
4.88 -2.099989501e-01 
4.90 -1.983446080e-01 
4.92 -1.860054870e-01 
4.94 -1.731259775e-01 
4.96 -1.597576481e-01 
4.98 -1.459979400e-01 
5.00 -1.319660665e-01 
5.02 -1.177948831e-01 
5.04 -1.036244780e-01 
5.06 -8.959659979e-02 
5.08 -7.584991367e-02 
5.10 -6.249796072e-02 
5.12 -4.970440917e-02 
5.14 -3.764327234e-02 
5.16 -2.644531776e-02 
5.18 -1.620412231e-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