# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--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 2024-03-01

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 -4.321150153e+02 
0.92 -4.022091743e+02 
0.94 -3.745096822e+02 
0.96 -3.486075190e+02 
0.98 -3.247150492e+02 
1.00 -3.028421282e+02 
1.02 -2.826375797e+02 
1.04 -2.637089738e+02 
1.06 -2.459442929e+02 
1.08 -2.294706793e+02 
1.10 -2.141494143e+02 
1.12 -1.996969752e+02 
1.14 -1.861097592e+02 
1.16 -1.735020118e+02 
1.18 -1.620203968e+02 
1.20 -1.517845300e+02 
1.22 -1.426862486e+02 
1.24 -1.344081773e+02 
1.26 -1.266781967e+02 
1.28 -1.194275519e+02 
1.30 -1.126152048e+02 
1.32 -1.061523229e+02 
1.34 -9.991040543e+01 
1.36 -9.384734453e+01 
1.38 -8.801396855e+01 
1.40 -8.244409903e+01 
1.42 -7.705908896e+01 
1.44 -7.174075312e+01 
1.46 -6.639180208e+01 
1.48 -6.096027408e+01 
1.50 -5.544893284e+01 
1.52 -4.990038755e+01 
1.54 -4.437533056e+01 
1.56 -3.889770570e+01 
1.58 -3.344522842e+01 
1.60 -2.798592575e+01 
1.62 -2.254104773e+01 
1.64 -1.720083746e+01 
1.66 -1.207579537e+01 
1.68 -7.853988494e+00 
1.70 -4.913144211e+00 
1.72 -2.926003085e+00 
1.74 -1.634091242e+00 
1.76 -8.330634994e-01 
1.78 -3.623930092e-01 
1.80 -1.037205176e-01 
1.82  2.420766456e-02 
1.84  7.331733220e-02 
1.86  5.334198132e-02 
1.88 -2.867418673e-02 
1.90 -1.520672689e-01 
1.92 -3.123520657e-01 
1.94 -5.069153082e-01 
1.96 -7.256240418e-01 
1.98 -9.562193231e-01 
2.00 -1.190308891e+00 
2.02 -1.421828700e+00 
2.04 -1.646866681e+00 
2.06 -1.863281673e+00 
2.08 -2.070001153e+00 
2.10 -2.266378101e+00 
2.12 -2.452263240e+00 
2.14 -2.627364286e+00 
2.16 -2.790791056e+00 
2.18 -2.940832700e+00 
2.20 -3.074368641e+00 
2.22 -3.189099143e+00 
2.24 -3.285313397e+00 
2.26 -3.364114970e+00 
2.28 -3.426924525e+00 
2.30 -3.475484828e+00 
2.32 -3.511814423e+00 
2.34 -3.537681942e+00 
2.36 -3.554564403e+00 
2.38 -3.563658049e+00 
2.40 -3.565720259e+00 
2.42 -3.561347394e+00 
2.44 -3.551197343e+00 
2.46 -3.535992176e+00 
2.48 -3.516563829e+00 
2.50 -3.493767546e+00 
2.52 -3.467828625e+00 
2.54 -3.438507209e+00 
2.56 -3.405498551e+00 
2.58 -3.368584634e+00 
2.60 -3.327888866e+00 
2.62 -3.283644947e+00 
2.64 -3.235893460e+00 
2.66 -3.184590674e+00 
2.68 -3.129729474e+00 
2.70 -3.071385957e+00 
2.72 -3.009750449e+00 
2.74 -2.945102689e+00 
2.76 -2.877772020e+00 
2.78 -2.808108340e+00 
2.80 -2.736498795e+00 
2.82 -2.663237624e+00 
2.84 -2.588495715e+00 
2.86 -2.512304664e+00 
2.88 -2.434591435e+00 
2.90 -2.355517723e+00 
2.92 -2.275601539e+00 
2.94 -2.195345230e+00 
2.96 -2.115209382e+00 
2.98 -2.035679066e+00 
3.00 -1.957229779e+00 
3.02 -1.880304418e+00 
3.04 -1.805305770e+00 
3.06 -1.732563429e+00 
3.08 -1.662277307e+00 
3.10 -1.594414670e+00 
3.12 -1.528879659e+00 
3.14 -1.465631126e+00 
3.16 -1.404674158e+00 
3.18 -1.346040188e+00 
3.20 -1.289712011e+00 
3.22 -1.235637199e+00 
3.24 -1.183750782e+00 
3.26 -1.133953911e+00 
3.28 -1.086106496e+00 
3.30 -1.040027046e+00 
3.32 -9.955009176e-01 
3.34 -9.522979118e-01 
3.36 -9.102129066e-01 
3.38 -8.690836328e-01 
3.40 -8.288203717e-01 
3.42 -7.894783881e-01 
3.44 -7.511579539e-01 
3.46 -7.139688054e-01 
3.48 -6.780152376e-01 
3.50 -6.433840107e-01 
3.52 -6.101376354e-01 
3.54 -5.783132798e-01 
3.56 -5.479254786e-01 
3.58 -5.189562618e-01 
3.60 -4.913524988e-01 
3.62 -4.650545452e-01 
3.64 -4.399997677e-01 
3.66 -4.161359247e-01 
3.68 -3.934144989e-01 
3.70 -3.717841607e-01 
3.72 -3.511907040e-01 
3.74 -3.315773896e-01 
3.76 -3.128848751e-01 
3.78 -2.950515651e-01 
3.80 -2.780134701e-01 
3.82 -2.617044798e-01 
3.84 -2.460562167e-01 
3.86 -2.310024864e-01 
3.88 -2.165121455e-01 
3.90 -2.025728715e-01 
3.92 -1.891727236e-01 
3.94 -1.762975222e-01 
3.96 -1.639287227e-01 
3.98 -1.520477399e-01 
4.00 -1.406362959e-01 
4.02 -1.296763712e-01 
4.04 -1.191503537e-01 
4.06 -1.090407605e-01 
4.08 -9.933046594e-02 
4.10 -9.000254548e-02 
4.12 -8.103996904e-02 
4.14 -7.241606323e-02 
4.16 -6.408780534e-02 
4.18 -5.601364814e-02 
4.20 -4.830147980e-02 
4.22 -4.119895467e-02 
4.24 -3.491366449e-02 
4.26 -2.960088123e-02 
4.28 -2.536663370e-02 
4.30 -2.227099287e-02 
4.32 -2.033164177e-02 
4.34 -1.952767926e-02 
4.36 -1.980336270e-02 
4.38 -2.107234917e-02 
4.40 -2.322157493e-02 
4.42 -2.611573224e-02 
4.44 -2.960143050e-02 
4.46 -3.351175439e-02 
4.48 -3.767028393e-02 
4.50 -4.189585971e-02 
4.52 -4.600703334e-02 
4.54 -4.983605325e-02 
4.56 -5.325470771e-02 
4.58 -5.616015381e-02 
4.60 -5.846932821e-02 
4.62 -6.011914079e-02 
4.64 -6.106629960e-02 
4.66 -6.128598815e-02 
4.68 -6.077130455e-02 
4.70 -5.953150442e-02 
4.72 -5.759083397e-02 
4.74 -5.498649204e-02 
4.76 -5.176662769e-02 
4.78 -4.797957713e-02 
4.80 -4.367836312e-02 
4.82 -3.893657721e-02 
4.84 -3.383475043e-02 
4.86 -2.845630740e-02 
4.88 -2.288621674e-02 
4.90 -1.721006003e-02 
4.92 -1.151209938e-02 
4.94 -5.875878460e-03 
4.96 -3.758782875e-04 
4.98  4.918852201e-03 
5.00  9.941019545e-03 
5.02  1.462565100e-02 
5.04  1.891184454e-02 
5.06  2.275029259e-02 
5.08  2.610139706e-02 
5.10  2.893218423e-02 
5.12  3.121737951e-02 
5.14  3.294055282e-02 
5.16  3.409514506e-02 
5.18  3.468558437e-02 
5.20  3.472791713e-02 
5.22  3.425124449e-02 
5.24  3.329994578e-02 
5.26  3.192744326e-02 
5.28  3.019364434e-02 
5.30  2.816399471e-02 
5.32  2.590817644e-02 
5.34  2.349809066e-02 
5.36  2.100550323e-02 
5.38  1.849938591e-02 
5.40  1.604331792e-02 
5.42  1.369307054e-02 
5.44  1.149471698e-02 
5.46  9.483712660e-03 
5.48  7.684531869e-03 
5.50  6.111624720e-03 
5.52  4.770691590e-03 
5.54  3.656137980e-03 
5.56  2.747576087e-03 
5.58  2.020683171e-03 
5.60  1.450291129e-03 
5.62  1.011852375e-03 
5.64  6.823162881e-04 
5.66  4.410032993e-04 
5.68  2.697757039e-04 
5.70  1.531362285e-04 
5.72  7.800746045e-05 
5.74  3.352798570e-05 
5.76  1.063412075e-05 
5.78  1.680871532e-06 
5.80 -5.972050221e-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