# 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 = C2Fe
# 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 -8.826319541e+07 
0.86 -9.708968963e+07 
0.88 -1.061245670e+08 
0.90 -1.150011163e+08 
0.92 -1.233999495e+08 
0.94 -1.311551624e+08 
0.96 -1.382661795e+08 
0.98 -1.447807391e+08 
1.00 -1.506787677e+08 
1.02 -1.557121561e+08 
1.04 -1.596412819e+08 
1.06 -1.624576521e+08 
1.08 -1.641061535e+08 
1.10 -1.644782032e+08 
1.12 -1.635112318e+08 
1.14 -1.613203310e+08 
1.16 -1.580863458e+08 
1.18 -1.539260617e+08 
1.20 -1.488902244e+08 
1.22 -1.430511290e+08 
1.24 -1.365448595e+08 
1.26 -1.295213348e+08 
1.28 -1.221257934e+08 
1.30 -1.144933907e+08 
1.32 -1.067245438e+08 
1.34 -9.890123210e+07 
1.36 -9.114400700e+07 
1.38 -8.360073054e+07 
1.40 -7.639539226e+07 
1.42 -6.962630762e+07 
1.44 -6.336751404e+07 
1.46 -5.767104320e+07 
1.48 -5.256805368e+07 
1.50 -4.803412040e+07 
1.52 -4.398901562e+07 
1.54 -4.036076849e+07 
1.56 -3.710096794e+07 
1.58 -3.416814919e+07 
1.60 -3.152546052e+07 
1.62 -2.914014698e+07 
1.64 -2.698308943e+07 
1.66 -2.502839386e+07 
1.68 -2.325302608e+07 
1.70 -2.163648743e+07 
1.72 -2.016052765e+07 
1.74 -1.880889122e+07 
1.76 -1.756709394e+07 
1.78 -1.642222683e+07 
1.80 -1.536278465e+07 
1.82 -1.437885664e+07 
1.84 -1.346430245e+07 
1.86 -1.261390229e+07 
1.88 -1.182260362e+07 
1.90 -1.108575093e+07 
1.92 -1.039905521e+07 
1.94 -9.758565754e+06 
1.96 -9.160644070e+06 
1.98 -8.601945388e+06 
2.00 -8.079410003e+06 
2.02 -7.590224203e+06 
2.04 -7.131796655e+06 
2.06 -6.701741573e+06 
2.08 -6.297863240e+06 
2.10 -5.918141774e+06 
2.12 -5.560720073e+06 
2.14 -5.223891829e+06 
2.16 -4.906090561e+06 
2.18 -4.605879568e+06 
2.20 -4.321942746e+06 
2.22 -4.053076203e+06 
2.24 -3.798180598e+06 
2.26 -3.556254153e+06 
2.28 -3.326386278e+06 
2.30 -3.107751752e+06 
2.32 -2.899605405e+06 
2.34 -2.701277250e+06 
2.36 -2.512168014e+06 
2.38 -2.331750240e+06 
2.40 -2.159815285e+06 
2.42 -1.996517447e+06 
2.44 -1.841967910e+06 
2.46 -1.696206643e+06 
2.48 -1.559207825e+06 
2.50 -1.430885534e+06 
2.52 -1.311099644e+06 
2.54 -1.199661845e+06 
2.56 -1.096341721e+06 
2.58 -1.000870238e+06 
2.60 -9.128553908e+05 
2.62 -8.317902935e+05 
2.64 -7.571898656e+05 
2.66 -6.885983471e+05 
2.68 -6.255878060e+05 
2.70 -5.677567077e+05 
2.72 -5.147285431e+05 
2.74 -4.661505156e+05 
2.76 -4.216922824e+05 
2.78 -3.810447516e+05 
2.80 -3.439189299e+05 
2.82 -3.100448210e+05 
2.84 -2.791703735e+05 
2.86 -2.510604748e+05 
2.88 -2.254959925e+05 
2.90 -2.022728577e+05 
2.92 -1.812011924e+05 
2.94 -1.621044770e+05 
2.96 -1.448187576e+05 
2.98 -1.291918916e+05 
3.00 -1.150828294e+05 
3.02 -1.023609321e+05 
3.04 -9.090532280e+04 
3.06 -8.060427106e+04 
3.08 -7.135460828e+04 
3.10 -6.306117362e+04 
3.12 -5.563628837e+04 
3.14 -4.899925994e+04 
3.16 -4.307591182e+04 
3.18 -3.779813846e+04 
3.20 -3.310348527e+04 
3.22 -2.893475220e+04 
3.24 -2.523961989e+04 
3.26 -2.197029744e+04 
3.28 -1.908319079e+04 
3.30 -1.653859087e+04 
3.32 -1.430038055e+04 
3.34 -1.233575952e+04 
3.36 -1.061498639e+04 
3.38 -9.111137017e+03 
3.40 -7.799878369e+03 
3.42 -6.659257205e+03 
3.44 -5.669502735e+03 
3.46 -4.812842618e+03 
3.48 -4.073331591e+03 
3.50 -3.436692159e+03 
3.52 -2.890178368e+03 
3.54 -2.422389760e+03 
3.56 -2.023218181e+03 
3.58 -1.683680245e+03 
3.60 -1.395821245e+03 
3.62 -1.152614955e+03 
3.64 -9.478714101e+02 
3.66 -7.761521677e+02 
3.68 -6.326925890e+02 
3.70 -5.133306915e+02 
3.72 -4.144421581e+02 
3.74 -3.328810710e+02 
3.76 -2.659260178e+02 
3.78 -2.112311430e+02 
3.80 -1.667818767e+02 
3.82 -1.308547280e+02 
3.84 -1.019819663e+02 
3.86 -7.891877071e+01 
3.88 -6.061349365e+01 
3.90 -4.618140808e+01 
3.92 -3.488336843e+01 
3.94 -2.610531666e+01 
3.96 -1.934056022e+01 
3.98 -1.417296347e+01 
4.00 -1.026247765e+01 
4.02 -7.333194068e+00 
4.04 -5.162931418e+00 
4.06 -3.574209285e+00 
4.08 -2.426469338e+00 
4.10 -1.609414083e+00 
4.12 -1.037341458e+00 
4.14 -6.443617745e-01 
4.16 -3.803915954e-01 
4.18 -2.078271278e-01 
4.20 -9.880754353e-02 
4.22 -3.300618391e-02 
4.24  4.104935529e-03 
4.26  2.274331119e-02 
4.28  2.995855018e-02 
4.30  3.050199342e-02 
4.32  2.748937066e-02 
4.34  2.289661859e-02 
4.36  1.792336116e-02 
4.38  1.325334743e-02 
4.40  9.236363990e-03 
4.42  6.011788829e-03 
4.44  3.590029780e-03 
4.46  1.904593968e-03 
4.48  8.444652161e-04 
4.50  2.738236274e-04 
4.52  4.392591928e-05 
4.54  1.764591814e-07 
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