# 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 = HO2
# 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  3.161396453e+01 
1.56  2.799517685e+01 
1.58  2.455443989e+01 
1.60  2.127180918e+01 
1.62  1.813026684e+01 
1.64  1.508050149e+01 
1.66  1.324237523e+01 
1.68  1.139179033e+01 
1.70  9.345976534e+00 
1.72  1.056467094e+01 
1.74  6.963506168e+00 
1.76  3.768786339e+00 
1.78  1.090942835e+00 
1.80 -9.778079848e-01 
1.82 -2.406684708e+00 
1.84 -3.242115677e+00 
1.86 -3.590587878e+00 
1.88 -3.585246083e+00 
1.90 -3.355706870e+00 
1.92 -3.009931520e+00 
1.94 -2.627845584e+00 
1.96 -2.264546347e+00 
1.98 -1.946040032e+00 
2.00 -1.693164412e+00 
2.02 -1.511009283e+00 
2.04 -1.415025780e+00 
2.06 -1.393902740e+00 
2.08 -1.418707012e+00 
2.10 -1.483870691e+00 
2.12 -1.583101701e+00 
2.14 -1.709993398e+00 
2.16 -1.858393561e+00 
2.18 -2.022614119e+00 
2.20 -2.197570098e+00 
2.22 -2.378916465e+00 
2.24 -2.563014107e+00 
2.26 -2.746907293e+00 
2.28 -2.966498779e+00 
2.30 -3.194258163e+00 
2.32 -3.403273725e+00 
2.34 -3.594763785e+00 
2.36 -3.769839950e+00 
2.38 -3.929586915e+00 
2.40 -4.075067157e+00 
2.42 -4.207323811e+00 
2.44 -4.327393993e+00 
2.46 -4.436289192e+00 
2.48 -4.534934743e+00 
2.50 -4.624163417e+00 
2.52 -4.704722171e+00 
2.54 -4.777288220e+00 
2.56 -4.842484084e+00 
2.58 -4.900881991e+00 
2.60 -4.953006978e+00 
2.62 -4.999339768e+00 
2.64 -5.040322518e+00 
2.66 -5.076370890e+00 
2.68 -5.107865648e+00 
2.70 -5.135138162e+00 
2.72 -5.158470764e+00 
2.74 -5.178098729e+00 
2.76 -5.194214309e+00 
2.78 -5.206988557e+00 
2.80 -5.216589869e+00 
2.82 -5.223186197e+00 
2.84 -5.226945970e+00 
2.86 -5.228038991e+00 
2.88 -5.226637281e+00 
2.90 -5.222915971e+00 
2.92 -5.217057503e+00 
2.94 -5.209259282e+00 
2.96 -5.199726264e+00 
2.98 -5.188649583e+00 
3.00 -5.176201884e+00 
3.02 -5.162538142e+00 
3.04 -5.147796475e+00 
3.06 -5.132098916e+00 
3.08 -5.115552432e+00 
3.10 -5.098253953e+00 
3.12 -5.080296234e+00 
3.14 -5.061768898e+00 
3.16 -5.042758817e+00 
3.18 -5.023350463e+00 
3.20 -5.003626242e+00 
3.22 -4.983666807e+00 
3.24 -4.963551352e+00 
3.26 -4.943357905e+00 
3.28 -4.923163596e+00 
3.30 -4.903044936e+00 
3.32 -4.883078082e+00 
3.34 -4.863339106e+00 
3.36 -4.843902797e+00 
3.38 -4.824836330e+00 
3.40 -4.806196440e+00 
3.42 -4.788029689e+00 
3.44 -4.770372784e+00 
3.46 -4.753252845e+00 
3.48 -4.736687618e+00 
3.50 -4.720685640e+00 
3.52 -4.705246343e+00 
3.54 -4.690360113e+00 
3.56 -4.676009157e+00 
3.58 -4.662172625e+00 
3.60 -4.648829757e+00 
3.62 -4.635960017e+00 
3.64 -4.623543098e+00 
3.66 -4.611558923e+00 
3.68 -4.599987657e+00 
3.70 -4.588809716e+00 
3.72 -4.578005787e+00 
3.74 -4.567556839e+00 
3.76 -4.557444149e+00 
3.78 -4.547649325e+00 
3.80 -4.538154324e+00 
3.82 -4.528941488e+00 
3.84 -4.519993564e+00 
3.86 -4.511293740e+00 
3.88 -4.502825675e+00 
3.90 -4.494573802e+00 
3.92 -4.486524541e+00 
3.94 -4.478666914e+00 
3.96 -4.470992632e+00 
3.98 -4.463496181e+00 
4.00 -4.456174454e+00 
4.02 -4.449024768e+00 
4.04 -4.442043855e+00 
4.06 -4.435227848e+00 
4.08 -4.428572276e+00 
4.10 -4.422072075e+00 
4.12 -4.415721586e+00 
4.14 -4.409514554e+00 
4.16 -4.403444134e+00 
4.18 -4.397502882e+00 
4.20 -4.391682756e+00 
4.22 -4.385975115e+00 
4.24 -4.380370707e+00 
4.26 -4.374859676e+00 
4.28 -4.369431545e+00 
4.30 -4.364075221e+00 
4.32 -4.358778985e+00 
4.34 -4.353530489e+00 
4.36 -4.348316931e+00 
4.38 -4.343125597e+00 
4.40 -4.337944058e+00 
4.42 -4.332760185e+00 
4.44 -4.327562167e+00 
4.46 -4.322338527e+00 
4.48 -4.317078141e+00 
4.50 -4.311770249e+00 
4.52 -4.306404481e+00 
4.54 -4.300970865e+00 
4.56 -4.295459850e+00 
4.58 -4.289862319e+00 
4.60 -4.284169607e+00 
4.62 -4.278373517e+00 
4.64 -4.272466335e+00 
4.66 -4.266440847e+00 
4.68 -4.260290349e+00 
4.70 -4.254008665e+00 
4.72 -4.247590158e+00 
4.74 -4.241029741e+00 
4.76 -4.234322888e+00 
4.78 -4.227465645e+00 
4.80 -4.220454639e+00 
4.82 -4.213287082e+00 
4.84 -4.205960781e+00 
4.86 -4.198474138e+00 
4.88 -4.190826160e+00 
4.90 -4.183016454e+00 
4.92 -4.175045232e+00 
4.94 -4.166913308e+00 
4.96 -4.158622097e+00 
4.98 -4.150173608e+00 
5.00 -4.141570443e+00 
5.02 -4.132815796e+00 
5.04 -4.123913535e+00 
5.06 -4.114868284e+00 
5.08 -4.105685414e+00 
5.10 -4.096371034e+00 
5.12 -4.086931977e+00 
5.14 -4.077375777e+00 
5.16 -4.067710658e+00 
5.18 -4.057945510e+00 
5.20 -4.048089873e+00 
5.22 -4.038153916e+00 
5.24 -4.028148392e+00 
5.26 -4.018084257e+00 
5.28 -4.007972190e+00 
5.30 -3.997822527e+00 
5.32 -3.987645257e+00 
5.34 -3.977450014e+00 
5.36 -3.967246079e+00 
5.38 -3.957042372e+00 
5.40 -3.946847459e+00 
5.42 -3.936669543e+00 
5.44 -3.926516474e+00 
5.46 -3.916395744e+00 
5.48 -3.906314493e+00 
5.50 -3.896279508e+00 
5.52 -3.886297234e+00 
5.54 -3.876373770e+00 
5.56 -3.866514880e+00 
5.58 -3.856725992e+00 
5.60 -3.847012210e+00 
5.62 -3.837378314e+00 
5.64 -3.827828767e+00 
5.66 -3.818367723e+00 
5.68 -3.808999030e+00 
5.70 -3.799726238e+00 
5.72 -3.790552604e+00 
5.74 -3.781481100e+00 
5.76 -3.772514415e+00 
5.78 -3.763654964e+00 
5.80 -3.754904894e+00 
5.82 -3.746266088e+00 
5.84 -3.737740170e+00 
5.86 -3.729328512e+00 
5.88 -3.721032239e+00 
5.90 -3.712852233e+00 
5.92 -3.704789137e+00 
5.94 -3.696843361e+00 
5.96 -3.689015085e+00 
5.98 -3.681304263e+00 
6.00 -3.673710629e+00