# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Allera-A-Ribeiro-F-Perez-M-Rodney-D--Fe-C
# implementation = 2022--Allera-A--Fe-C--LAMMPS--ipr1
# composition = CFe2
# 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 2023-05-19

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  5.045777063e+02 
0.86  4.528105170e+02 
0.88  4.068267062e+02 
0.90  3.658992405e+02 
0.92  3.294186712e+02 
0.94  2.969020487e+02 
0.96  2.678156260e+02 
0.98  2.416930122e+02 
1.00  2.181465938e+02 
1.02  1.969072364e+02 
1.04  1.774396246e+02 
1.06  1.593586926e+02 
1.08  1.425844349e+02 
1.10  1.274362311e+02 
1.12  1.139786958e+02 
1.14  1.021524474e+02 
1.16  9.164869844e+01 
1.18  8.225492457e+01 
1.20  7.379750574e+01 
1.22  6.613494895e+01 
1.24  5.916109215e+01 
1.26  5.283053645e+01 
1.28  4.705105247e+01 
1.30  4.176694085e+01 
1.32  3.695391025e+01 
1.34  3.259334348e+01 
1.36  2.865605153e+01 
1.38  2.510036961e+01 
1.40  2.188263448e+01 
1.42  1.896076061e+01 
1.44  1.630608455e+01 
1.46  1.390625666e+01 
1.48  1.174053030e+01 
1.50  9.778552392e+00 
1.52  7.994529521e+00 
1.54  6.370923574e+00 
1.56  4.892508161e+00 
1.58  3.541510622e+00 
1.60  2.297378664e+00 
1.62  1.143027385e+00 
1.64  7.517386740e-02 
1.66 -9.047944291e-01 
1.68 -1.797005202e+00 
1.70 -2.598313206e+00 
1.72 -3.296047309e+00 
1.74 -3.892522665e+00 
1.76 -4.392286886e+00 
1.78 -4.799717496e+00 
1.80 -5.145108927e+00 
1.82 -5.444583514e+00 
1.84 -5.701741442e+00 
1.86 -5.918196126e+00 
1.88 -6.094280328e+00 
1.90 -6.231939373e+00 
1.92 -6.333711847e+00 
1.94 -6.403351226e+00 
1.96 -6.443136940e+00 
1.98 -6.446101103e+00 
2.00 -6.413708185e+00 
2.02 -6.347867819e+00 
2.04 -6.248884858e+00 
2.06 -6.117952659e+00 
2.08 -5.975074460e+00 
2.10 -5.827128638e+00 
2.12 -5.676015568e+00 
2.14 -5.522001902e+00 
2.16 -5.364547020e+00 
2.18 -5.202422848e+00 
2.20 -5.033790072e+00 
2.22 -4.855337767e+00 
2.24 -4.659497953e+00 
2.26 -4.415694633e+00 
2.28 -5.536846013e+00 
2.30 -2.361087172e+01 
2.32 -7.415928831e+01 
2.34 -1.648674989e+02 
2.36 -2.971927725e+02 
2.38 -4.678208101e+02 
2.40 -6.704496400e+02 
2.42 -8.978875024e+02 
2.44 -1.142801685e+03 
2.46 -1.398342483e+03 
2.48 -1.658583678e+03 
2.50 -1.918783025e+03 
2.52 -2.175503119e+03 
2.54 -2.426623204e+03 
2.56 -2.671312536e+03 
2.58 -2.909911563e+03 
2.60 -3.141886037e+03 
2.62 -3.364651117e+03 
2.64 -3.575583542e+03 
2.66 -3.772205929e+03 
2.68 -3.952214921e+03 
2.70 -4.113506227e+03 
2.72 -4.254197260e+03 
2.74 -4.372646869e+03 
2.76 -4.467471873e+03 
2.78 -4.537574466e+03 
2.80 -4.582539334e+03 
2.82 -4.602719823e+03 
2.84 -4.598783120e+03 
2.86 -4.571653832e+03 
2.88 -4.522483227e+03 
2.90 -4.452617735e+03 
2.92 -4.363567275e+03 
2.94 -4.256974035e+03 
2.96 -4.134582041e+03 
2.98 -3.998207853e+03 
3.00 -3.849712117e+03 
3.02 -3.690972973e+03 
3.04 -3.523861265e+03 
3.06 -3.350217606e+03 
3.08 -3.171828079e+03 
3.10 -2.990391471e+03 
3.12 -2.807517849e+03 
3.14 -2.624722525e+03 
3.16 -2.443414839e+03 
3.18 -2.264888270e+03 
3.20 -2.090313166e+03 
3.22 -1.920731540e+03 
3.24 -1.757053900e+03 
3.26 -1.600058110e+03 
3.28 -1.450389914e+03 
3.30 -1.308565206e+03 
3.32 -1.174973860e+03 
3.34 -1.049884904e+03 
3.36 -9.334528961e+02 
3.38 -8.257253722e+02 
3.40 -7.266513104e+02 
3.42 -6.360902558e+02 
3.44 -5.538220258e+02 
3.46 -4.795568654e+02 
3.48 -4.129457916e+02 
3.50 -3.535909782e+02 
3.52 -3.010560990e+02 
3.54 -2.548763695e+02 
3.56 -2.145682275e+02 
3.58 -1.796385041e+02 
3.60 -1.495929210e+02 
3.62 -1.239438569e+02 
3.64 -1.022172314e+02 
3.66 -8.394016926e+01 
3.68 -6.863034135e+01 
3.70 -5.585640620e+01 
3.72 -4.524207164e+01 
3.74 -3.646008955e+01 
3.76 -2.922679670e+01 
3.78 -2.329714400e+01 
3.80 -1.846019897e+01 
3.82 -1.453507591e+01 
3.84 -1.136731687e+01 
3.86 -8.825624246e+00 
3.88 -6.798809978e+00 
3.90 -5.192584877e+00 
3.92 -3.929229609e+00 
3.94 -2.945635709e+00 
3.96 -2.186316986e+00 
3.98 -1.600827320e+00 
4.00 -1.150625752e+00 
4.02 -8.064533619e-01 
4.04 -5.472538870e-01 
4.06 -3.565222818e-01 
4.08 -2.198061768e-01 
4.10 -1.248410260e-01 
4.12 -6.148209936e-02 
4.14 -2.149829421e-02 
4.16  1.697648412e-03 
4.18  1.331622873e-02 
4.20  1.743210578e-02 
4.22  1.711670625e-02 
4.24  1.423810635e-02 
4.26  1.002488469e-02 
4.28  5.325246594e-03 
4.30  7.044275832e-04 
4.32 -3.479900519e-03 
4.34 -7.020165062e-03 
4.36 -9.816887949e-03 
4.38 -1.184700925e-02 
4.40 -1.313953270e-02 
4.42 -1.375889616e-02 
4.44 -1.379317475e-02 
4.46 -1.334604591e-02 
4.48 -1.253115530e-02 
4.50 -1.146826658e-02 
4.52 -1.027801293e-02 
4.54 -9.065257731e-03 
4.56 -7.922541700e-03 
4.58 -6.881424834e-03 
4.60 -5.937185676e-03 
4.62 -5.084722955e-03 
4.64 -4.319009059e-03 
4.66 -3.635102136e-03 
4.68 -3.028127287e-03 
4.70 -2.493287580e-03 
4.72 -2.025837924e-03 
4.74 -1.621095666e-03 
4.76 -1.274424403e-03 
4.78 -9.812312762e-04 
4.80 -7.369644233e-04 
4.82 -5.370940699e-04 
4.84 -3.771338609e-04 
4.86 -2.526060396e-04 
4.88 -1.590536153e-04 
4.90 -9.203636089e-05 
4.92 -4.712066717e-05 
4.94 -1.987655562e-05 
4.96 -5.888495896e-06 
4.98 -7.368864607e-07 
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