# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2019--Mendelev-M-I--Fe-Ni-Cr
# implementation = 2019--Mendelev-M-I--Fe-Ni-Cr--LAMMPS--ipr1
# composition = CrFe2
# 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  6.231186983e+05 
0.94  5.748144907e+05 
0.96  5.304703621e+05 
0.98  4.896898265e+05 
1.00  4.521234518e+05 
1.02  4.174624167e+05 
1.04  3.854334056e+05 
1.06  3.557934055e+05 
1.08  3.283252403e+05 
1.10  3.028341679e+05 
1.12  2.791458419e+05 
1.14  2.571045146e+05 
1.16  2.365707815e+05 
1.18  2.174191746e+05 
1.20  1.995364746e+05 
1.22  1.828205370e+05 
1.24  1.671791019e+05 
1.26  1.525285361e+05 
1.28  1.387926360e+05 
1.30  1.259019926e+05 
1.32  1.137932172e+05 
1.34  1.024084489e+05 
1.36  9.169492377e+04 
1.38  8.160457656e+04 
1.40  7.209355921e+04 
1.42  6.312172768e+04 
1.44  5.465214678e+04 
1.46  4.665091032e+04 
1.48  3.909310982e+04 
1.50  3.195319665e+04 
1.52  2.520193320e+04 
1.54  1.881473016e+04 
1.56  1.355163704e+04 
1.58  9.717750315e+03 
1.60  6.933737654e+03 
1.62  4.919444232e+03 
1.64  3.468141331e+03 
1.66  2.427486510e+03 
1.68  1.685379380e+03 
1.70  1.159483340e+03 
1.72  7.894684944e+02 
1.74  5.312619791e+02 
1.76  3.528051112e+02 
1.78  2.307895618e+02 
1.80  1.483775969e+02 
1.82  9.348716080e+01 
1.84  5.751001804e+01 
1.86  3.436391774e+01 
1.88  1.979299318e+01 
1.90  1.084741423e+01 
1.92  5.500852183e+00 
1.94  2.382826758e+00 
1.96  5.957525323e-01 
1.98 -4.296706726e-01 
2.00 -1.041811661e+00 
2.02 -1.443441885e+00 
2.04 -1.743898992e+00 
2.06 -1.995524627e+00 
2.08 -2.218338184e+00 
2.10 -2.416233951e+00 
2.12 -2.587420221e+00 
2.14 -2.730681187e+00 
2.16 -2.847815621e+00 
2.18 -2.942953619e+00 
2.20 -3.021304987e+00 
2.22 -3.092211230e+00 
2.24 -3.161868506e+00 
2.26 -3.229896936e+00 
2.28 -3.294554887e+00 
2.30 -3.352957313e+00 
2.32 -3.402249182e+00 
2.34 -3.441187404e+00 
2.36 -3.470352484e+00 
2.38 -3.490599440e+00 
2.40 -3.501281474e+00 
2.42 -3.500177271e+00 
2.44 -3.484720394e+00 
2.46 -3.454058448e+00 
2.48 -3.410131452e+00 
2.50 -3.358086706e+00 
2.52 -3.306693897e+00 
2.54 -3.265636838e+00 
2.56 -3.239866957e+00 
2.58 -3.229828208e+00 
2.60 -3.233022420e+00 
2.62 -3.245276312e+00 
2.64 -3.261692704e+00 
2.66 -3.277406695e+00 
2.68 -3.288165200e+00 
2.70 -3.290711783e+00 
2.72 -3.282995242e+00 
2.74 -3.264232186e+00 
2.76 -3.234793766e+00 
2.78 -3.195921301e+00 
2.80 -3.149294943e+00 
2.82 -3.096512254e+00 
2.84 -3.039074546e+00 
2.86 -2.978620791e+00 
2.88 -2.916770186e+00 
2.90 -2.854949225e+00 
2.92 -2.794258840e+00 
2.94 -2.735387196e+00 
2.96 -2.678584582e+00 
2.98 -2.623785781e+00 
3.00 -2.570761390e+00 
3.02 -2.519220105e+00 
3.04 -2.468871573e+00 
3.06 -2.419454903e+00 
3.08 -2.370804586e+00 
3.10 -2.322901745e+00 
3.12 -2.275885121e+00 
3.14 -2.229999143e+00 
3.16 -2.185479733e+00 
3.18 -2.142504565e+00 
3.20 -2.101204707e+00 
3.22 -2.061668667e+00 
3.24 -2.023946917e+00 
3.26 -1.988057101e+00 
3.28 -1.953989532e+00 
3.30 -1.921712582e+00 
3.32 -1.891177678e+00 
3.34 -1.862323663e+00 
3.36 -1.835080321e+00 
3.38 -1.809370974e+00 
3.40 -1.785114069e+00 
3.42 -1.762223777e+00 
3.44 -1.740609653e+00 
3.46 -1.720175499e+00 
3.48 -1.700817610e+00 
3.50 -1.682422651e+00 
3.52 -1.664865493e+00 
3.54 -1.648007354e+00 
3.56 -1.631694707e+00 
3.58 -1.615759438e+00 
3.60 -1.600020812e+00 
3.62 -1.584289873e+00 
3.64 -1.568376957e+00 
3.66 -1.552103054e+00 
3.68 -1.535315824e+00 
3.70 -1.517904379e+00 
3.72 -1.499785833e+00 
3.74 -1.480893807e+00 
3.76 -1.461179091e+00 
3.78 -1.440610548e+00 
3.80 -1.419175732e+00 
3.82 -1.396881187e+00 
3.84 -1.373752397e+00 
3.86 -1.349833389e+00 
3.88 -1.325185929e+00 
3.90 -1.299888318e+00 
3.92 -1.274033752e+00 
3.94 -1.247728223e+00 
3.96 -1.221087944e+00 
3.98 -1.194236272e+00 
4.00 -1.167300105e+00 
4.02 -1.140405740e+00 
4.04 -1.113674161e+00 
4.06 -1.087215742e+00 
4.08 -1.061124345e+00 
4.10 -1.035470782e+00 
4.12 -1.010295641e+00 
4.14 -9.856014305e-01 
4.16 -9.613440537e-01 
4.18 -9.374337999e-01 
4.20 -9.137973407e-01 
4.22 -8.904146966e-01 
4.24 -8.673066989e-01 
4.26 -8.445214441e-01 
4.28 -8.221226471e-01 
4.30 -8.001797682e-01 
4.32 -7.787597810e-01 
4.34 -7.579204732e-01 
4.36 -7.377051959e-01 
4.38 -7.181388925e-01 
4.40 -6.992254091e-01 
4.42 -6.809459264e-01 
4.44 -6.632584356e-01 
4.46 -6.460982452e-01 
4.48 -6.293793962e-01 
4.50 -6.129969372e-01 
4.52 -5.968300240e-01 
4.54 -5.807457811e-01 
4.56 -5.646039028e-01 
4.58 -5.482619650e-01 
4.60 -5.315814330e-01 
4.62 -5.144341654e-01 
4.64 -4.967097272e-01 
4.66 -4.783237062e-01 
4.68 -4.592255748e-01 
4.70 -4.394083842e-01 
4.72 -4.189191162e-01 
4.74 -3.978676820e-01 
4.76 -3.764411320e-01 
4.78 -3.549118217e-01 
4.80 -3.336545194e-01 
4.82 -3.131455542e-01 
4.84 -2.938364285e-01 
4.86 -2.760498624e-01 
4.88 -2.599738807e-01 
4.90 -2.456945906e-01 
4.92 -2.332301242e-01 
4.94 -2.225150392e-01 
4.96 -2.133166344e-01 
4.98 -2.056015725e-01 
5.00 -1.993169696e-01 
5.02 -1.943519662e-01 
5.04 -1.905983829e-01 
5.06 -1.878465340e-01 
5.08 -1.855763584e-01 
5.10 -1.833606552e-01 
5.12 -1.808232917e-01 
5.14 -1.778314194e-01 
5.16 -1.743148254e-01 
5.18 -1.702332507e-01 
5.20 -1.655837309e-01 
5.22 -1.602744032e-01 
5.24 -1.542534717e-01 
5.26 -1.475265609e-01 
5.28 -1.401411373e-01 
5.30 -1.321742479e-01 
5.32 -1.237070023e-01 
5.34 -1.149171234e-01 
5.36 -1.060014333e-01 
5.38 -9.710963379e-02 
5.40 -8.835699821e-02 
5.42 -7.983366641e-02 
5.44 -7.161127552e-02 
5.46 -6.374753909e-02 
5.48 -5.628927782e-02 
5.50 -4.927431184e-02 
5.52 -4.273254619e-02 
5.54 -3.668651443e-02 
5.56 -3.115158979e-02 
5.58 -2.613602669e-02 
5.60 -2.164095619e-02 
5.62 -1.766042667e-02 
5.64 -1.418155397e-02 
5.66 -1.118482266e-02 
5.68 -8.644561445e-03 
5.70 -6.529600288e-03 
5.72 -4.804103568e-03 
5.74 -3.428562774e-03 
5.76 -2.360922874e-03 
5.78 -1.557808417e-03 
5.80 -9.758084803e-04 
5.82 -5.727732694e-04 
5.84 -3.090695790e-04 
5.86 -1.487370654e-04 
5.88 -6.048238499e-05 
5.90 -1.844354819e-05 
5.92 -2.652277843e-06 
5.94  8.823161004e-07 
5.96  5.498618131e-07 
5.98  6.017918353e-08 
6.00  3.355876866e-14