# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I
# implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1
# composition = ClLi2
# 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  8.547058936e+04 
1.08  6.684567230e+04 
1.10  5.251172433e+04 
1.12  4.142808287e+04 
1.14  3.281839048e+04 
1.16  2.610107058e+04 
1.18  2.083778686e+04 
1.20  1.669708144e+04 
1.22  1.342647594e+04 
1.24  1.083335942e+04 
1.26  8.769846391e+03 
1.28  7.121788357e+03 
1.30  5.801119969e+03 
1.32  4.739233105e+03 
1.34  3.882556453e+03 
1.36  3.189336311e+03 
1.38  2.626695909e+03 
1.40  2.168665355e+03 
1.42  1.794752202e+03 
1.44  1.488684487e+03 
1.46  1.237472310e+03 
1.48  1.030745959e+03 
1.50  8.602147148e+02 
1.52  7.192047689e+02 
1.54  6.023330415e+02 
1.56  5.052557994e+02 
1.58  4.244082715e+02 
1.60  3.569555127e+02 
1.62  3.005767671e+02 
1.64  2.533620177e+02 
1.66  2.137468884e+02 
1.68  1.804474825e+02 
1.70  1.523943754e+02 
1.72  1.287352303e+02 
1.74  1.087516738e+02 
1.76  9.184475440e+01 
1.78  7.752089325e+01 
1.80  6.536986029e+01 
1.82  5.504807262e+01 
1.84  4.626945313e+01 
1.86  3.879395506e+01 
1.88  3.242409324e+01 
1.90  2.699148385e+01 
1.92  2.235396851e+01 
1.94  1.839190177e+01 
1.96  1.500437063e+01 
1.98  1.210600513e+01 
2.00  9.623959530e+00 
2.02  7.496850564e+00 
2.04  5.671242181e+00 
2.06  4.104178790e+00 
2.08  2.761519062e+00 
2.10  1.611038374e+00 
2.12  6.255506098e-01 
2.14 -2.179748989e-01 
2.16 -9.397189152e-01 
2.18 -1.555180954e+00 
2.20 -2.078540289e+00 
2.22 -2.521886723e+00 
2.24 -2.895573212e+00 
2.26 -3.208503941e+00 
2.28 -3.468371448e+00 
2.30 -3.681852019e+00 
2.32 -3.855412909e+00 
2.34 -3.995249252e+00 
2.36 -4.104922275e+00 
2.38 -4.187403660e+00 
2.40 -4.245594778e+00 
2.42 -4.282507429e+00 
2.44 -4.301034622e+00 
2.46 -4.303708087e+00 
2.48 -4.292741486e+00 
2.50 -4.270065949e+00 
2.52 -4.237358323e+00 
2.54 -4.196095400e+00 
2.56 -4.147547000e+00 
2.58 -4.092812100e+00 
2.60 -4.032839977e+00 
2.62 -3.968456741e+00 
2.64 -3.900533306e+00 
2.66 -3.829459041e+00 
2.68 -3.755736128e+00 
2.70 -3.679861667e+00 
2.72 -3.602258246e+00 
2.74 -3.523278508e+00 
2.76 -3.443330386e+00 
2.78 -3.362948708e+00 
2.80 -3.281951686e+00 
2.82 -3.200573401e+00 
2.84 -3.119024458e+00 
2.86 -3.037684258e+00 
2.88 -2.956521486e+00 
2.90 -2.875643594e+00 
2.92 -2.795201784e+00 
2.94 -2.715328020e+00 
2.96 -2.636136397e+00 
2.98 -2.557724460e+00 
3.00 -2.480174497e+00 
3.02 -2.403554879e+00 
3.04 -2.328091190e+00 
3.06 -2.253661870e+00 
3.08 -2.180255468e+00 
3.10 -2.107908124e+00 
3.12 -2.036647651e+00 
3.14 -1.966536782e+00 
3.16 -1.897544644e+00 
3.18 -1.829687499e+00 
3.20 -1.762981523e+00 
3.22 -1.697443418e+00 
3.24 -1.633091658e+00 
3.26 -1.569947479e+00 
3.28 -1.508033403e+00 
3.30 -1.447379812e+00 
3.32 -1.388020013e+00 
3.34 -1.329990078e+00 
3.36 -1.273329241e+00 
3.38 -1.218079087e+00 
3.40 -1.164282523e+00 
3.42 -1.111982578e+00 
3.44 -1.061221078e+00 
3.46 -1.012037282e+00 
3.48 -9.644665158e-01 
3.50 -9.185388905e-01 
3.52 -8.742781430e-01 
3.54 -8.317005036e-01 
3.56 -7.908142234e-01 
3.58 -7.516191994e-01 
3.60 -7.141062078e-01 
3.62 -6.782571635e-01 
3.64 -6.441415504e-01 
3.66 -6.116256982e-01 
3.68 -5.806562048e-01 
3.70 -5.511858641e-01 
3.72 -5.233767281e-01 
3.74 -4.969667954e-01 
3.76 -4.718393816e-01 
3.78 -4.479385324e-01 
3.80 -4.252061125e-01 
3.82 -4.035829301e-01 
3.84 -3.830097576e-01 
3.86 -3.634282315e-01 
3.88 -3.447816164e-01 
3.90 -3.270154299e-01 
3.92 -3.100779251e-01 
3.94 -2.939204393e-01 
3.96 -2.784976157e-01 
3.98 -2.637675122e-01 
4.00 -2.496916120e-01 
4.02 -2.362347511e-01 
4.04 -2.236725623e-01 
4.06 -2.116420959e-01 
4.08 -2.000782028e-01 
4.10 -1.889696086e-01 
4.12 -1.783053805e-01 
4.14 -1.680748920e-01 
4.16 -1.582677855e-01 
4.18 -1.488739351e-01 
4.20 -1.398834093e-01 
4.22 -1.312864351e-01 
4.24 -1.230733630e-01 
4.26 -1.152346353e-01 
4.28 -1.077607557e-01 
4.30 -1.006422635e-01 
4.32 -9.386970970e-02 
4.34 -8.743346090e-02 
4.36 -8.132417689e-02 
4.38 -7.553241339e-02 
4.40 -7.004860881e-02 
4.42 -6.486315477e-02 
4.44 -5.996639583e-02 
4.46 -5.534863272e-02 
4.48 -5.100012893e-02 
4.50 -4.691218980e-02 
4.52 -4.331273862e-02 
4.54 -3.992035854e-02 
4.56 -3.672806660e-02 
4.58 -3.372961037e-02 
4.60 -3.091844757e-02 
4.62 -2.828768793e-02 
4.64 -2.582947971e-02 
4.66 -2.353785465e-02 
4.68 -2.140556691e-02 
4.70 -1.942531305e-02 
4.72 -1.758977259e-02 
4.74 -1.589164613e-02 
4.76 -1.432369085e-02 
4.78 -1.287875333e-02 
4.80 -1.154979935e-02 
4.82 -1.032994091e-02 
4.84 -9.212460221e-03 
4.86 -8.190830685e-03 
4.88 -7.258735039e-03 
4.90 -6.410080573e-03 
4.92 -5.639011590e-03 
4.94 -4.939919206e-03 
4.96 -4.307448625e-03 
4.98 -3.736504032e-03 
5.00 -3.222251267e-03 
5.02 -2.760118465e-03 
5.04 -2.345794815e-03 
5.06 -1.975227648e-03 
5.08 -1.644618016e-03 
5.10 -1.350414959e-03 
5.12 -1.089308625e-03 
5.14 -8.582224370e-04 
5.16 -6.543044417e-04 
5.18 -4.749180331e-04 
5.20 -3.176321722e-04 
5.22 -1.802112545e-04 
5.24 -6.780176447e-05 
5.26 -6.050352210e-05 
5.28 -5.377938785e-05 
5.30 -4.771841726e-05 
5.32 -4.226377302e-05 
5.34 -3.736263758e-05 
5.36 -3.296601061e-05 
5.38 -2.902850892e-05 
5.40 -2.550816973e-05 
5.42 -2.236625789e-05 
5.44 -1.956707777e-05 
5.46 -1.707779024e-05 
5.48 -1.486823527e-05 
5.50 -1.291076058e-05 
5.52 -1.118005649e-05 
5.54 -9.652997433e-06 
5.56 -8.308490066e-06 
5.58 -7.127328359e-06 
5.60 -6.092055539e-06 
5.62 -5.186832997e-06 
5.64 -4.397316116e-06 
5.66 -3.710536963e-06 
5.68 -3.114793722e-06 
5.70 -2.599546769e-06 
5.72 -2.155321193e-06 
5.74 -1.773615608e-06 
5.76 -1.446817038e-06 
5.78 -1.168121654e-06 
5.80 -9.314611344e-07 
5.82 -7.314344055e-07 
5.84 -5.632445101e-07 
5.86 -4.226403481e-07 
5.88 -3.058630357e-07 
5.90 -2.095966243e-07 
5.92 -1.309229246e-07 
5.94 -6.728018587e-08 
5.96 -1.642538303e-08 
5.98  1.357729658e-08 
6.00  1.024793495e-08