# 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 = CO2
# 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  7.182058868e+01 
1.56  4.288895098e+01 
1.58  1.582012779e+01 
1.60 -3.244542201e+00 
1.62  5.962313092e+01 
1.64  4.221773636e+01 
1.66  4.062834660e+00 
1.68 -2.310646307e+01 
1.70 -4.697131580e+01 
1.72 -6.548432257e+01 
1.74 -7.376760987e+01 
1.76 -8.039227258e+01 
1.78 -8.443635786e+01 
1.80 -8.825577138e+01 
1.82 -8.912758289e+01 
1.84 -8.806769448e+01 
1.86 -8.585896544e+01 
1.88 -8.293567406e+01 
1.90 -8.222190804e+01 
1.92 -7.740711647e+01 
1.94 -7.250708723e+01 
1.96 -6.754630376e+01 
1.98 -6.255688461e+01 
2.00 -5.758942455e+01 
2.02 -5.269349546e+01 
2.04 -4.793966907e+01 
2.06 -4.337198525e+01 
2.08 -3.900978052e+01 
2.10 -3.489096997e+01 
2.12 -3.104359291e+01 
2.14 -2.748592837e+01 
2.16 -2.309316462e+01 
2.18 -2.040978736e+01 
2.20 -1.796881447e+01 
2.22 -1.576598311e+01 
2.24 -1.379398355e+01 
2.26 -1.204315293e+01 
2.28 -1.050204585e+01 
2.30 -9.157810010e+00 
2.32 -7.996547775e+00 
2.34 -7.003705673e+00 
2.36 -6.164495684e+00 
2.38 -5.464212464e+00 
2.40 -4.888451221e+00 
2.42 -4.423291683e+00 
2.44 -4.055462307e+00 
2.46 -3.772452576e+00 
2.48 -3.562568702e+00 
2.50 -3.415009592e+00 
2.52 -3.319928390e+00 
2.54 -3.252923014e+00 
2.56 -3.237398524e+00 
2.58 -3.250757876e+00 
2.60 -3.287046011e+00 
2.62 -3.341142815e+00 
2.64 -3.408689681e+00 
2.66 -3.539795821e+00 
2.68 -3.691454503e+00 
2.70 -3.831629594e+00 
2.72 -3.961018360e+00 
2.74 -4.080254021e+00 
2.76 -4.189910530e+00 
2.78 -4.290521435e+00 
2.80 -4.382595984e+00 
2.82 -4.466622110e+00 
2.84 -4.543068317e+00 
2.86 -4.612385474e+00 
2.88 -4.675008508e+00 
2.90 -4.731358065e+00 
2.92 -4.781844745e+00 
2.94 -4.826875999e+00 
2.96 -4.866851018e+00 
2.98 -4.902144553e+00 
3.00 -4.933103976e+00 
3.02 -4.960050650e+00 
3.04 -4.983281264e+00 
3.06 -5.003069088e+00 
3.08 -5.019665391e+00 
3.10 -5.033303989e+00 
3.12 -5.044206394e+00 
3.14 -5.052583130e+00 
3.16 -5.058634494e+00 
3.18 -5.062551274e+00 
3.20 -5.064515421e+00 
3.22 -5.064700683e+00 
3.24 -5.063273216e+00 
3.26 -5.060392150e+00 
3.28 -5.056210141e+00 
3.30 -5.050873894e+00 
3.32 -5.044524671e+00 
3.34 -5.037298783e+00 
3.36 -5.029326923e+00 
3.38 -5.020729469e+00 
3.40 -5.011614542e+00 
3.42 -5.002078463e+00 
3.44 -4.992206234e+00 
3.46 -4.982071971e+00 
3.48 -4.971739276e+00 
3.50 -4.961261560e+00 
3.52 -4.950682306e+00 
3.54 -4.940035288e+00 
3.56 -4.929345405e+00 
3.58 -4.918632814e+00 
3.60 -4.907915510e+00 
3.62 -4.897209556e+00 
3.64 -4.886529199e+00 
3.66 -4.875886989e+00 
3.68 -4.865293884e+00 
3.70 -4.854759366e+00 
3.72 -4.844291543e+00 
3.74 -4.833897252e+00 
3.76 -4.823582163e+00 
3.78 -4.813350871e+00 
3.80 -4.803206997e+00 
3.82 -4.793153277e+00 
3.84 -4.783191653e+00 
3.86 -4.773323360e+00 
3.88 -4.763549013e+00 
3.90 -4.753868899e+00 
3.92 -4.744283975e+00 
3.94 -4.734796388e+00 
3.96 -4.725409597e+00 
3.98 -4.716128482e+00 
4.00 -4.706959103e+00 
4.02 -4.697907200e+00 
4.04 -4.688977460e+00 
4.06 -4.680173530e+00 
4.08 -4.671498060e+00 
4.10 -4.662952740e+00 
4.12 -4.654538328e+00 
4.14 -4.646254686e+00 
4.16 -4.638100803e+00 
4.18 -4.630074823e+00 
4.20 -4.622174067e+00 
4.22 -4.614395054e+00 
4.24 -4.606733518e+00 
4.26 -4.599184430e+00 
4.28 -4.591742012e+00 
4.30 -4.584399748e+00 
4.32 -4.577150405e+00 
4.34 -4.569986042e+00 
4.36 -4.562898162e+00 
4.38 -4.555878146e+00 
4.40 -4.548917417e+00 
4.42 -4.542007470e+00 
4.44 -4.535139893e+00 
4.46 -4.528306394e+00 
4.48 -4.521498822e+00 
4.50 -4.514709195e+00 
4.52 -4.507929717e+00 
4.54 -4.501152804e+00 
4.56 -4.494371106e+00 
4.58 -4.487577525e+00 
4.60 -4.480765235e+00 
4.62 -4.473927704e+00 
4.64 -4.467058713e+00 
4.66 -4.460152370e+00 
4.68 -4.453203127e+00 
4.70 -4.446205802e+00 
4.72 -4.439155584e+00 
4.74 -4.432048054e+00 
4.76 -4.424879196e+00 
4.78 -4.417645406e+00 
4.80 -4.410343501e+00 
4.82 -4.402970735e+00 
4.84 -4.395524796e+00 
4.86 -4.388003822e+00 
4.88 -4.380406399e+00 
4.90 -4.372731568e+00 
4.92 -4.364978824e+00 
4.94 -4.357148119e+00 
4.96 -4.349239864e+00 
4.98 -4.341254920e+00 
5.00 -4.333194600e+00 
5.02 -4.325060671e+00 
5.04 -4.316855414e+00 
5.06 -4.308581689e+00 
5.08 -4.300242929e+00 
5.10 -4.291843131e+00 
5.12 -4.283386843e+00 
5.14 -4.274879151e+00 
5.16 -4.266325666e+00 
5.18 -4.257732507e+00 
5.20 -4.249106287e+00 
5.22 -4.240454097e+00 
5.24 -4.231783467e+00 
5.26 -4.223102082e+00 
5.28 -4.214417408e+00 
5.30 -4.205736645e+00 
5.32 -4.197066724e+00 
5.34 -4.188414306e+00 
5.36 -4.179785775e+00 
5.38 -4.171187244e+00 
5.40 -4.162624551e+00 
5.42 -4.154103262e+00 
5.44 -4.145628671e+00 
5.46 -4.137205801e+00 
5.48 -4.128839411e+00 
5.50 -4.120533995e+00 
5.52 -4.112293787e+00 
5.54 -4.104122765e+00 
5.56 -4.096024655e+00 
5.58 -4.088002935e+00 
5.60 -4.080060839e+00 
5.62 -4.072201365e+00 
5.64 -4.064427276e+00 
5.66 -4.056741107e+00 
5.68 -4.049145170e+00 
5.70 -4.041641559e+00 
5.72 -4.034232154e+00 
5.74 -4.026918627e+00 
5.76 -4.019702447e+00 
5.78 -4.012584884e+00 
5.80 -4.005567014e+00 
5.82 -3.998649726e+00 
5.84 -3.991833722e+00 
5.86 -3.985119524e+00 
5.88 -3.978507477e+00 
5.90 -3.971997756e+00 
5.92 -3.965590364e+00 
5.94 -3.959285141e+00 
5.96 -3.953081764e+00 
5.98 -3.946979751e+00 
6.00 -3.940978464e+00