# 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 = C2H
# 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 -5.028668912e+00 
1.56 -9.670083626e+00 
1.58 -1.395106050e+01 
1.60 -1.789959071e+01 
1.62 -2.154410590e+01 
1.64 -2.491218293e+01 
1.66 -2.798837017e+01 
1.68 -3.084738282e+01 
1.70 -3.350837280e+01 
1.72 -3.601657905e+01 
1.74 -3.570185093e+01 
1.76 -3.498474032e+01 
1.78 -3.392297338e+01 
1.80 -3.244090725e+01 
1.82 -3.053171080e+01 
1.84 -2.824488814e+01 
1.86 -2.567363189e+01 
1.88 -2.295717387e+01 
1.90 -2.032264016e+01 
1.92 -1.805587374e+01 
1.94 -1.694003890e+01 
1.96 -1.767941559e+01 
1.98 -1.904763837e+01 
2.00 -1.865416907e+01 
2.02 -1.666953549e+01 
2.04 -1.409899687e+01 
2.06 -1.151084513e+01 
2.08 -9.134876393e+00 
2.10 -7.057880930e+00 
2.12 -5.306061153e+00 
2.14 -3.875446740e+00 
2.16 -2.744875680e+00 
2.18 -1.883197830e+00 
2.20 -1.254188569e+00 
2.22 -8.201614521e-01 
2.24 -5.457986879e-01 
2.26 -3.939377088e-01 
2.28 -3.382464306e-01 
2.30 -3.527575539e-01 
2.32 -4.843617224e-01 
2.34 -6.901908324e-01 
2.36 -8.818841631e-01 
2.38 -1.056982586e+00 
2.40 -1.216698182e+00 
2.42 -1.362161854e+00 
2.44 -1.494429358e+00 
2.46 -1.614485430e+00 
2.48 -1.723245723e+00 
2.50 -1.821560973e+00 
2.52 -1.910221466e+00 
2.54 -1.989961643e+00 
2.56 -2.061464381e+00 
2.58 -2.125364526e+00 
2.60 -2.182252151e+00 
2.62 -2.232675581e+00 
2.64 -2.277144349e+00 
2.66 -2.316132259e+00 
2.68 -2.350079346e+00 
2.70 -2.379393428e+00 
2.72 -2.404452172e+00 
2.74 -2.425605098e+00 
2.76 -2.443175543e+00 
2.78 -2.457463277e+00 
2.80 -2.468746860e+00 
2.82 -2.477285165e+00 
2.84 -2.483318757e+00 
2.86 -2.487071176e+00 
2.88 -2.488750133e+00 
2.90 -2.488548637e+00 
2.92 -2.486646183e+00 
2.94 -2.483210023e+00 
2.96 -2.478395718e+00 
2.98 -2.472347051e+00 
3.00 -2.465196596e+00 
3.02 -2.457066486e+00 
3.04 -2.448069118e+00 
3.06 -2.438307828e+00 
3.08 -2.427877515e+00 
3.10 -2.416865410e+00 
3.12 -2.405351832e+00 
3.14 -2.393410707e+00 
3.16 -2.381110026e+00 
3.18 -2.368512273e+00 
3.20 -2.355674827e+00 
3.22 -2.342650329e+00 
3.24 -2.329487036e+00 
3.26 -2.316229138e+00 
3.28 -2.302917067e+00 
3.30 -2.289587778e+00 
3.32 -2.276275010e+00 
3.34 -2.263009538e+00 
3.36 -2.249819344e+00 
3.38 -2.236729557e+00 
3.40 -2.223762541e+00 
3.42 -2.210938078e+00 
3.44 -2.198273557e+00 
3.46 -2.185784140e+00 
3.48 -2.173482916e+00 
3.50 -2.161381044e+00 
3.52 -2.149487884e+00 
3.54 -2.137811117e+00 
3.56 -2.126356886e+00 
3.58 -2.115130110e+00 
3.60 -2.104134694e+00 
3.62 -2.093373629e+00 
3.64 -2.082849069e+00 
3.66 -2.072562400e+00 
3.68 -2.062514316e+00 
3.70 -2.052704880e+00 
3.72 -2.043133582e+00 
3.74 -2.033799397e+00 
3.76 -2.024700835e+00 
3.78 -2.015835988e+00 
3.80 -2.007202578e+00 
3.82 -1.998797993e+00 
3.84 -1.990619329e+00 
3.86 -1.982663425e+00 
3.88 -1.974926893e+00 
3.90 -1.967406164e+00 
3.92 -1.960097559e+00 
3.94 -1.952997340e+00 
3.96 -1.946101736e+00 
3.98 -1.939406967e+00 
4.00 -1.932909249e+00 
4.02 -1.926604731e+00 
4.04 -1.920489473e+00 
4.06 -1.914559459e+00 
4.08 -1.908810610e+00 
4.10 -1.903238797e+00 
4.12 -1.897839854e+00 
4.14 -1.892609585e+00 
4.16 -1.887543778e+00 
4.18 -1.882638207e+00 
4.20 -1.877888646e+00 
4.22 -1.873290870e+00 
4.24 -1.868840666e+00 
4.26 -1.864533834e+00 
4.28 -1.860366194e+00 
4.30 -1.856333591e+00 
4.32 -1.852431895e+00 
4.34 -1.848657008e+00 
4.36 -1.845004871e+00 
4.38 -1.841471491e+00 
4.40 -1.838052949e+00 
4.42 -1.834745400e+00 
4.44 -1.831545080e+00 
4.46 -1.828448306e+00 
4.48 -1.825451477e+00 
4.50 -1.822551073e+00 
4.52 -1.819743663e+00 
4.54 -1.817025898e+00 
4.56 -1.814394519e+00 
4.58 -1.811846350e+00 
4.60 -1.809378306e+00 
4.62 -1.806987388e+00 
4.64 -1.804670686e+00 
4.66 -1.802425378e+00 
4.68 -1.800248729e+00 
4.70 -1.798138093e+00 
4.72 -1.796090910e+00 
4.74 -1.794104709e+00 
4.76 -1.792177102e+00 
4.78 -1.790305789e+00 
4.80 -1.788488556e+00 
4.82 -1.786723271e+00 
4.84 -1.785007885e+00 
4.86 -1.783340433e+00 
4.88 -1.781719030e+00 
4.90 -1.780141870e+00 
4.92 -1.778607227e+00 
4.94 -1.777113451e+00 
4.96 -1.775658970e+00 
4.98 -1.774242283e+00 
5.00 -1.772861964e+00 
5.02 -1.771516658e+00 
5.04 -1.770205085e+00 
5.06 -1.768926036e+00 
5.08 -1.767678380e+00 
5.10 -1.766461055e+00 
5.12 -1.765273070e+00 
5.14 -1.764113501e+00 
5.16 -1.762981491e+00 
5.18 -1.761876246e+00 
5.20 -1.760797034e+00 
5.22 -1.759743183e+00 
5.24 -1.758714077e+00 
5.26 -1.757709142e+00 
5.28 -1.756727826e+00 
5.30 -1.755769593e+00 
5.32 -1.754833925e+00 
5.34 -1.753920321e+00 
5.36 -1.753028293e+00 
5.38 -1.752157368e+00 
5.40 -1.751307086e+00 
5.42 -1.750476998e+00 
5.44 -1.749666668e+00 
5.46 -1.748875671e+00 
5.48 -1.748103592e+00 
5.50 -1.747350025e+00 
5.52 -1.746614574e+00 
5.54 -1.745896850e+00 
5.56 -1.745196475e+00 
5.58 -1.744513077e+00 
5.60 -1.743846292e+00 
5.62 -1.743195761e+00 
5.64 -1.742561134e+00 
5.66 -1.741942066e+00 
5.68 -1.741338220e+00 
5.70 -1.740749262e+00 
5.72 -1.740174864e+00 
5.74 -1.739614704e+00 
5.76 -1.739068464e+00 
5.78 -1.738535833e+00 
5.80 -1.738016500e+00 
5.82 -1.737510162e+00 
5.84 -1.737016518e+00 
5.86 -1.736535272e+00 
5.88 -1.736066130e+00 
5.90 -1.735608803e+00 
5.92 -1.735163003e+00 
5.94 -1.734728446e+00 
5.96 -1.734304851e+00 
5.98 -1.733891939e+00 
6.00 -1.733489434e+00