# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Bonny-G-Bakaev-A-Terentyev-D--Fe-C-Cr
# implementation = 2022--Bonny-G--Fe-C-Cr--LAMMPS--ipr1
# composition = CCr2
# 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 2024-01-04

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  1.256761305e+03 
0.86  1.127201624e+03 
0.88  1.010107062e+03 
0.90  9.041975668e+02 
0.92  8.080010379e+02 
0.94  7.203266670e+02 
0.96  6.402043558e+02 
0.98  5.669283495e+02 
1.00  4.998822766e+02 
1.02  4.385447435e+02 
1.04  3.824339150e+02 
1.06  3.310361983e+02 
1.08  2.839345608e+02 
1.10  2.407619664e+02 
1.12  2.011951474e+02 
1.14  1.649156438e+02 
1.16  1.324997368e+02 
1.18  1.072520375e+02 
1.20  8.781919877e+01 
1.22  7.272013729e+01 
1.24  6.088102520e+01 
1.26  5.152577712e+01 
1.28  4.401766639e+01 
1.30  3.792504078e+01 
1.32  3.291782631e+01 
1.34  2.875013794e+01 
1.36  2.524040011e+01 
1.38  2.225235505e+01 
1.40  1.968391287e+01 
1.42  1.745815300e+01 
1.44  1.551642741e+01 
1.46  1.381146216e+01 
1.48  1.230233455e+01 
1.50  1.095374861e+01 
1.52  9.738482868e+00 
1.54  8.638352177e+00 
1.56  7.641418859e+00 
1.58  6.738303314e+00 
1.60  5.921305211e+00 
1.62  5.183741997e+00 
1.64  4.519532924e+00 
1.66  3.923094248e+00 
1.68  3.389326817e+00 
1.70  2.913992300e+00 
1.72  2.493675540e+00 
1.74  2.125364393e+00 
1.76  1.806357083e+00 
1.78  1.539447909e+00 
1.80  1.300926054e+00 
1.82  1.092048278e+00 
1.84  9.077856200e-01 
1.86  7.430638038e-01 
1.88  5.939638103e-01 
1.90  4.591981468e-01 
1.92  3.378158689e-01 
1.94  2.288538956e-01 
1.96  1.313470815e-01 
1.98  4.434098948e-02 
2.00 -3.308769314e-02 
2.02 -1.018162970e-01 
2.04 -1.626586528e-01 
2.06 -2.163369718e-01 
2.08 -2.634751818e-01 
2.10 -3.046976836e-01 
2.12 -3.407452940e-01 
2.14 -3.714253745e-01 
2.16 -3.956660600e-01 
2.18 -4.117741901e-01 
2.20 -4.166870316e-01 
2.22 -4.033178562e-01 
2.24 -3.404207696e-01 
2.26 -4.101184396e+00 
2.28 -4.328643586e+01 
2.30 -1.476717776e+02 
2.32 -3.316424022e+02 
2.34 -5.974785646e+02 
2.36 -9.382794050e+02 
2.38 -1.340539810e+03 
2.40 -1.787544358e+03 
2.42 -2.262904699e+03 
2.44 -2.751320083e+03 
2.46 -3.239411553e+03 
2.48 -3.716263836e+03 
2.50 -4.173675762e+03 
2.52 -4.606196597e+03 
2.54 -5.011012370e+03 
2.56 -5.387737304e+03 
2.58 -5.738067099e+03 
2.60 -6.062265739e+03 
2.62 -6.357466669e+03 
2.64 -6.621072906e+03 
2.66 -6.851005265e+03 
2.68 -7.045696306e+03 
2.70 -7.204077395e+03 
2.72 -7.325559621e+03 
2.74 -7.410009736e+03 
2.76 -7.457721949e+03 
2.78 -7.469387018e+03 
2.80 -7.446078797e+03 
2.82 -7.389222144e+03 
2.84 -7.300529838e+03 
2.86 -7.181961573e+03 
2.88 -7.035684448e+03 
2.90 -6.864033884e+03 
2.92 -6.669475383e+03 
2.94 -6.454567534e+03 
2.96 -6.221926573e+03 
2.98 -5.974192807e+03 
3.00 -5.713999134e+03 
3.02 -5.443941869e+03 
3.04 -5.166554031e+03 
3.06 -4.884281231e+03 
3.08 -4.599460228e+03 
3.10 -4.314300232e+03 
3.12 -4.030866967e+03 
3.14 -3.751069485e+03 
3.16 -3.476649710e+03 
3.18 -3.209174642e+03 
3.20 -2.950031146e+03 
3.22 -2.700423210e+03 
3.24 -2.461371552e+03 
3.26 -2.233715468e+03 
3.28 -2.018116739e+03 
3.30 -1.815065404e+03 
3.32 -1.624887248e+03 
3.34 -1.447752802e+03 
3.36 -1.283687654e+03 
3.38 -1.132583877e+03 
3.40 -9.942123540e+02 
3.42 -8.682357957e+02 
3.44 -7.542222465e+02 
3.46 -6.516588631e+02 
3.48 -5.599657689e+02 
3.50 -4.785097888e+02 
3.52 -4.066178749e+02 
3.54 -3.435900480e+02 
3.56 -2.887116905e+02 
3.58 -2.412650436e+02 
3.60 -2.005397800e+02 
3.62 -1.658425144e+02 
3.64 -1.365051178e+02 
3.66 -1.118676681e+02 
3.68 -9.126598064e+01 
3.70 -7.410823458e+01 
3.72 -5.987880830e+01 
3.74 -4.812989963e+01 
3.76 -3.847390189e+01 
3.78 -3.057648326e+01 
3.80 -2.415031962e+01 
3.82 -1.894943320e+01 
3.84 -1.476409145e+01 
3.86 -1.141622652e+01 
3.88 -8.755330604e+00 
3.90 -6.654673006e+00 
3.92 -5.008647551e+00 
3.94 -3.729243594e+00 
3.96 -2.742280308e+00 
3.98 -1.987016600e+00 
4.00 -1.414494475e+00 
4.02 -9.857195932e-01 
4.04 -6.689830761e-01 
4.06 -4.385995038e-01 
4.08 -2.739978677e-01 
4.10 -1.588880096e-01 
4.12 -8.051313823e-02 
4.14 -2.899331989e-02 
4.16  3.239890734e-03 
4.18  2.192128088e-02 
4.20  3.134867512e-02 
4.22  3.468707761e-02 
4.24  3.417347716e-02 
4.26  3.138106778e-02 
4.28  2.740051036e-02 
4.30  2.296720005e-02 
4.32  1.855900580e-02 
4.34  1.447014847e-02 
4.36  1.086608846e-02 
4.38  7.823559350e-03 
4.40  5.359208962e-03 
4.42  3.449695595e-03 
4.44  2.045532591e-03 
4.46  1.080481117e-03 
4.48  4.778574241e-04 
4.50  1.547477889e-04 
4.52  2.481149614e-05 
4.54  9.966313880e-08 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
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