# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu
# implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--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 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 -1.763193962e+02 
0.92 -1.704786290e+02 
0.94 -1.637309642e+02 
0.96 -1.562199652e+02 
0.98 -1.486504096e+02 
1.00 -1.414747542e+02 
1.02 -1.346929119e+02 
1.04 -1.280882095e+02 
1.06 -1.216851236e+02 
1.08 -1.156931967e+02 
1.10 -1.100318006e+02 
1.12 -1.044753893e+02 
1.14 -9.907833732e+01 
1.16 -9.401287595e+01 
1.18 -8.948362018e+01 
1.20 -8.566819445e+01 
1.22 -8.251640200e+01 
1.24 -7.976552173e+01 
1.26 -7.717263144e+01 
1.28 -7.468645138e+01 
1.30 -7.228336409e+01 
1.32 -6.989194005e+01 
1.34 -6.740110539e+01 
1.36 -6.478615033e+01 
1.38 -6.211532932e+01 
1.40 -5.943986628e+01 
1.42 -5.669834750e+01 
1.44 -5.378733054e+01 
1.46 -5.062253802e+01 
1.48 -4.716498974e+01 
1.50 -4.343042323e+01 
1.52 -3.947442246e+01 
1.54 -3.537066084e+01 
1.56 -3.115605538e+01 
1.58 -2.682130143e+01 
1.60 -2.234740044e+01 
1.62 -1.776857980e+01 
1.64 -1.318779035e+01 
1.66 -8.744789325e+00 
1.68 -5.234212598e+00 
1.70 -2.855739625e+00 
1.72 -1.315619546e+00 
1.74 -3.818853178e-01 
1.76  1.303593155e-01 
1.78  3.681278520e-01 
1.80  4.395033220e-01 
1.82  4.179097513e-01 
1.84  3.484597182e-01 
1.86  2.359025479e-01 
1.88  8.519902975e-02 
1.90 -8.672375404e-02 
1.92 -2.792043262e-01 
1.94 -4.931060368e-01 
1.96 -7.216253271e-01 
1.98 -9.557533889e-01 
2.00 -1.190308860e+00 
2.02 -1.421828688e+00 
2.04 -1.646866716e+00 
2.06 -1.863281772e+00 
2.08 -2.070001231e+00 
2.10 -2.266378106e+00 
2.12 -2.452263256e+00 
2.14 -2.627364317e+00 
2.16 -2.790791071e+00 
2.18 -2.940832549e+00 
2.20 -3.074368633e+00 
2.22 -3.189099093e+00 
2.24 -3.285313408e+00 
2.26 -3.364114914e+00 
2.28 -3.426924657e+00 
2.30 -3.475484839e+00 
2.32 -3.511814358e+00 
2.34 -3.537682008e+00 
2.36 -3.554564513e+00 
2.38 -3.563657982e+00 
2.40 -3.565720180e+00 
2.42 -3.561347377e+00 
2.44 -3.551197318e+00 
2.46 -3.535992174e+00 
2.48 -3.516563794e+00 
2.50 -3.493767413e+00 
2.52 -3.467828615e+00 
2.54 -3.438507171e+00 
2.56 -3.405498523e+00 
2.58 -3.368584664e+00 
2.60 -3.327888880e+00 
2.62 -3.283644924e+00 
2.64 -3.235893415e+00 
2.66 -3.184590626e+00 
2.68 -3.129729434e+00 
2.70 -3.071385965e+00 
2.72 -3.009750462e+00 
2.74 -2.945102729e+00 
2.76 -2.877771932e+00 
2.78 -2.808108372e+00 
2.80 -2.736498795e+00 
2.82 -2.663237600e+00 
2.84 -2.588495715e+00 
2.86 -2.512304603e+00 
2.88 -2.434591470e+00 
2.90 -2.355517609e+00 
2.92 -2.275601507e+00 
2.94 -2.195345265e+00 
2.96 -2.115209392e+00 
2.98 -2.035679064e+00 
3.00 -1.957229770e+00 
3.02 -1.880304400e+00 
3.04 -1.805305770e+00 
3.06 -1.732563445e+00 
3.08 -1.662277353e+00 
3.10 -1.594414689e+00 
3.12 -1.528879680e+00 
3.14 -1.465631140e+00 
3.16 -1.404674154e+00 
3.18 -1.346040189e+00 
3.20 -1.289712018e+00 
3.22 -1.235637157e+00 
3.24 -1.183750811e+00 
3.26 -1.133953932e+00 
3.28 -1.086106519e+00 
3.30 -1.040027025e+00 
3.32 -9.955009192e-01 
3.34 -9.522979269e-01 
3.36 -9.102128960e-01 
3.38 -8.690836285e-01 
3.40 -8.288203317e-01 
3.42 -7.894783928e-01 
3.44 -7.511579384e-01 
3.46 -7.139688283e-01 
3.48 -6.780152408e-01 
3.50 -6.433840028e-01 
3.52 -6.101376217e-01 
3.54 -5.783132682e-01 
3.56 -5.479254620e-01 
3.58 -5.189562565e-01 
3.60 -4.913524764e-01 
3.62 -4.650545334e-01 
3.64 -4.399997756e-01 
3.66 -4.161359215e-01 
3.68 -3.934145075e-01 
3.70 -3.717841554e-01 
3.72 -3.511907192e-01 
3.74 -3.315773652e-01 
3.76 -3.128848877e-01 
3.78 -2.950515640e-01 
3.80 -2.780134898e-01 
3.82 -2.617044797e-01 
3.84 -2.460562281e-01 
3.86 -2.310024564e-01 
3.88 -2.165121461e-01 
3.90 -2.025728574e-01 
3.92 -1.891727377e-01 
3.94 -1.762975002e-01 
3.96 -1.639287330e-01 
3.98 -1.520477468e-01 
4.00 -1.406363162e-01 
4.02 -1.296763792e-01 
4.04 -1.191503567e-01 
4.06 -1.090407662e-01 
4.08 -9.933049601e-02 
4.10 -9.000252198e-02 
4.12 -8.104000065e-02 
4.14 -7.241606526e-02 
4.16 -6.408780436e-02 
4.18 -5.601363946e-02 
4.20 -4.830146103e-02 
4.22 -4.119892084e-02 
4.24 -3.491365515e-02 
4.26 -2.960087672e-02 
4.28 -2.536664794e-02 
4.30 -2.227097865e-02 
4.32 -2.033165025e-02 
4.34 -1.952767957e-02 
4.36 -1.980335832e-02 
4.38 -2.107231643e-02 
4.40 -2.322156354e-02 
4.42 -2.611573498e-02 
4.44 -2.960143697e-02 
4.46 -3.351172222e-02 
4.48 -3.767025955e-02 
4.50 -4.189586915e-02 
4.52 -4.600705690e-02 
4.54 -4.983603900e-02 
4.56 -5.325474689e-02 
4.58 -5.616017906e-02 
4.60 -5.846926334e-02 
4.62 -6.011913959e-02 
4.64 -6.106625394e-02 
4.66 -6.128598357e-02 
4.68 -6.077127549e-02 
4.70 -5.953154244e-02 
4.72 -5.759082380e-02 
4.74 -5.498653552e-02 
4.76 -5.176661432e-02 
4.78 -4.797960405e-02 
4.80 -4.367838969e-02 
4.82 -3.893658053e-02 
4.84 -3.383473113e-02 
4.86 -2.845629001e-02 
4.88 -2.288624123e-02 
4.90 -1.720999698e-02 
4.92 -1.151211630e-02 
4.94 -5.875839354e-03 
4.96 -3.758595304e-04 
4.98  4.918855545e-03 
5.00  9.941035892e-03 
5.02  1.462564288e-02 
5.04  1.891185135e-02 
5.06  2.275029456e-02 
5.08  2.610140257e-02 
5.10  2.893218720e-02 
5.12  3.121737825e-02 
5.14  3.294054375e-02 
5.16  3.409514753e-02 
5.18  3.468557907e-02 
5.20  3.472792741e-02 
5.22  3.425123989e-02 
5.24  3.329994436e-02 
5.26  3.192744830e-02 
5.28  3.019364346e-02 
5.30  2.816400266e-02 
5.32  2.590819050e-02 
5.34  2.349810116e-02 
5.36  2.100549658e-02 
5.38  1.849937209e-02 
5.40  1.604331999e-02 
5.42  1.369306640e-02 
5.44  1.149473513e-02 
5.46  9.483698104e-03 
5.48  7.684523133e-03 
5.50  6.111644991e-03 
5.52  4.770695607e-03 
5.54  3.656139985e-03 
5.56  2.747559138e-03 
5.58  2.020696886e-03 
5.60  1.450304476e-03 
5.62  1.011828865e-03 
5.64  6.823009268e-04 
5.66  4.409875716e-04 
5.68  2.697832057e-04 
5.70  1.531514640e-04 
5.72  7.801745189e-05 
5.74  3.350852975e-05 
5.76  1.063554040e-05 
5.78  1.682013819e-06 
5.80 -3.659126402e-10 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00