# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2008--Chenoweth-K-van-Duin-A-C-T-Goddard-W-A--C-H-O
# implementation = 2008--Chenoweth-K--C-H-O--LAMMPS--ipr1
# composition = C2O
# 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  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  nan             
1.16  nan             
1.18  nan             
1.20  nan             
1.22  nan             
1.24  nan             
1.26  nan             
1.28  nan             
1.30  nan             
1.32  nan             
1.34  nan             
1.36  nan             
1.38  nan             
1.40  nan             
1.42  nan             
1.44  nan             
1.46  nan             
1.48  nan             
1.50  nan             
1.52  nan             
1.54  1.422006767e+02 
1.56  1.197836729e+02 
1.58  9.853007896e+01 
1.60  7.837753952e+01 
1.62  5.929666781e+01 
1.64  4.121692804e+01 
1.66  2.405717764e+01 
1.68  8.562777867e+00 
1.70 -2.319659329e+00 
1.72  1.981563378e+01 
1.74  1.162644699e+02 
1.76  1.281087188e+02 
1.78  1.228741403e+02 
1.80  1.232594127e+02 
1.82  1.187634885e+02 
1.84  1.096428790e+02 
1.86  9.698704783e+01 
1.88  8.204193333e+01 
1.90  6.607982293e+01 
1.92  5.034354981e+01 
1.94  3.592092716e+01 
1.96  2.366414103e+01 
1.98  1.390319028e+01 
2.00  6.472729555e+00 
2.02 -1.239546023e+00 
2.04 -4.973738734e+00 
2.06 -7.811992592e+00 
2.08 -1.785995965e+01 
2.10 -1.692887791e+01 
2.12 -1.596321229e+01 
2.14 -1.496418346e+01 
2.16 -1.280164510e+01 
2.18 -1.202921430e+01 
2.20 -1.120004229e+01 
2.22 -1.033567269e+01 
2.24 -9.458947612e+00 
2.26 -8.591972172e+00 
2.28 -7.754637950e+00 
2.30 -6.946580632e+00 
2.32 -6.202485071e+00 
2.34 -5.580464089e+00 
2.36 -5.025683231e+00 
2.38 -4.539500832e+00 
2.40 -4.123965297e+00 
2.42 -3.778494700e+00 
2.44 -3.500373401e+00 
2.46 -3.285246257e+00 
2.48 -3.127571133e+00 
2.50 -3.021057375e+00 
2.52 -2.959054466e+00 
2.54 -2.931817100e+00 
2.56 -2.936595399e+00 
2.58 -2.968305369e+00 
2.60 -3.020809652e+00 
2.62 -3.088901600e+00 
2.64 -3.168265916e+00 
2.66 -3.309383240e+00 
2.68 -3.470088897e+00 
2.70 -3.618472239e+00 
2.72 -3.755296724e+00 
2.74 -3.881264260e+00 
2.76 -3.997019406e+00 
2.78 -4.103163423e+00 
2.80 -4.200266465e+00 
2.82 -4.288870592e+00 
2.84 -4.369491942e+00 
2.86 -4.442622795e+00 
2.88 -4.508733516e+00 
2.90 -4.568274439e+00 
2.92 -4.621679541e+00 
2.94 -4.669372010e+00 
2.96 -4.711761243e+00 
2.98 -4.749231821e+00 
3.00 -4.782141816e+00 
3.02 -4.810824140e+00 
3.04 -4.835587835e+00 
3.06 -4.856719294e+00 
3.08 -4.874483584e+00 
3.10 -4.889128012e+00 
3.12 -4.900886155e+00 
3.14 -4.909979105e+00 
3.16 -4.916616304e+00 
3.18 -4.920996330e+00 
3.20 -4.923307635e+00 
3.22 -4.923729241e+00 
3.24 -4.922431399e+00 
3.26 -4.919576220e+00 
3.28 -4.915318258e+00 
3.30 -4.909805083e+00 
3.32 -4.903177823e+00 
3.34 -4.895571676e+00 
3.36 -4.887115563e+00 
3.38 -4.877928770e+00 
3.40 -4.868119591e+00 
3.42 -4.857785741e+00 
3.44 -4.847014793e+00 
3.46 -4.835884562e+00 
3.48 -4.824463454e+00 
3.50 -4.812810774e+00 
3.52 -4.800976986e+00 
3.54 -4.789003941e+00 
3.56 -4.776925562e+00 
3.58 -4.764771016e+00 
3.60 -4.752566719e+00 
3.62 -4.740336588e+00 
3.64 -4.728102201e+00 
3.66 -4.715882945e+00 
3.68 -4.703696169e+00 
3.70 -4.691557318e+00 
3.72 -4.679480068e+00 
3.74 -4.667476455e+00 
3.76 -4.655556999e+00 
3.78 -4.643730820e+00 
3.80 -4.632005750e+00 
3.82 -4.620388443e+00 
3.84 -4.608884481e+00 
3.86 -4.597498468e+00 
3.88 -4.586234133e+00 
3.90 -4.575094577e+00 
3.92 -4.564083055e+00 
3.94 -4.553203404e+00 
3.96 -4.542460156e+00 
3.98 -4.531858646e+00 
4.00 -4.521404857e+00 
4.02 -4.511104295e+00 
4.04 -4.500961453e+00 
4.06 -4.490979840e+00 
4.08 -4.481162021e+00 
4.10 -4.471509665e+00 
4.12 -4.462023578e+00 
4.14 -4.452703741e+00 
4.16 -4.443549338e+00 
4.18 -4.434558792e+00 
4.20 -4.425729786e+00 
4.22 -4.417059292e+00 
4.24 -4.408543592e+00 
4.26 -4.400178301e+00 
4.28 -4.391958383e+00 
4.30 -4.383878175e+00 
4.32 -4.375931397e+00 
4.34 -4.368111174e+00 
4.36 -4.360410150e+00 
4.38 -4.352820832e+00 
4.40 -4.345335712e+00 
4.42 -4.337947299e+00 
4.44 -4.330648139e+00 
4.46 -4.323430839e+00 
4.48 -4.316288086e+00 
4.50 -4.309212670e+00 
4.52 -4.302197504e+00 
4.54 -4.295235645e+00 
4.56 -4.288320310e+00 
4.58 -4.281444896e+00 
4.60 -4.274602997e+00 
4.62 -4.267788422e+00 
4.64 -4.260995209e+00 
4.66 -4.254217642e+00 
4.68 -4.247450264e+00 
4.70 -4.240687893e+00 
4.72 -4.233925632e+00 
4.74 -4.227158881e+00 
4.76 -4.220383351e+00 
4.78 -4.213595071e+00 
4.80 -4.206790400e+00 
4.82 -4.199966030e+00 
4.84 -4.193119002e+00 
4.86 -4.186246701e+00 
4.88 -4.179346872e+00 
4.90 -4.172417616e+00 
4.92 -4.165457400e+00 
4.94 -4.158465052e+00 
4.96 -4.151439769e+00 
4.98 -4.144381112e+00 
5.00 -4.137289010e+00 
5.02 -4.130163760e+00 
5.04 -4.123006076e+00 
5.06 -4.115817147e+00 
5.08 -4.108598626e+00 
5.10 -4.101352635e+00 
5.12 -4.094081749e+00 
5.14 -4.086788993e+00 
5.16 -4.079477834e+00 
5.18 -4.072152169e+00 
5.20 -4.064816315e+00 
5.22 -4.057475001e+00 
5.24 -4.050133342e+00 
5.26 -4.042796611e+00 
5.28 -4.035469954e+00 
5.30 -4.028158346e+00 
5.32 -4.020866593e+00 
5.34 -4.013599323e+00 
5.36 -4.006360989e+00 
5.38 -3.999155864e+00 
5.40 -3.991988043e+00 
5.42 -3.984861438e+00 
5.44 -3.977779781e+00 
5.46 -3.970746626e+00 
5.48 -3.963765343e+00 
5.50 -3.956839126e+00 
5.52 -3.949970990e+00 
5.54 -3.943163775e+00 
5.56 -3.936420147e+00 
5.58 -3.929742599e+00 
5.60 -3.923133454e+00 
5.62 -3.916594868e+00 
5.64 -3.910128832e+00 
5.66 -3.903737175e+00 
5.68 -3.897421565e+00 
5.70 -3.891183513e+00 
5.72 -3.885024376e+00 
5.74 -3.878945361e+00 
5.76 -3.872947522e+00 
5.78 -3.867031772e+00 
5.80 -3.861198874e+00 
5.82 -3.855449457e+00 
5.84 -3.849784005e+00 
5.86 -3.844202870e+00 
5.88 -3.838706268e+00 
5.90 -3.833294285e+00 
5.92 -3.827966875e+00 
5.94 -3.822723868e+00 
5.96 -3.817564964e+00 
5.98 -3.812489743e+00 
6.00 -3.807497658e+00