# 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 = Cl2K
# 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  5.072913368e+05 
1.20  4.103846276e+05 
1.22  3.331333060e+05 
1.24  2.713238020e+05 
1.26  2.216933576e+05 
1.28  1.817044958e+05 
1.30  1.493774352e+05 
1.32  1.231589952e+05 
1.34  1.018284669e+05 
1.36  8.442180483e+04 
1.38  7.017553089e+04 
1.40  5.848260439e+04 
1.42  4.885874863e+04 
1.44  4.091693042e+04 
1.46  3.434578594e+04 
1.48  2.889505409e+04 
1.50  2.436276032e+04 
1.52  2.058496284e+04 
1.54  1.742875791e+04 
1.56  1.478606712e+04 
1.58  1.256836812e+04 
1.60  1.070335026e+04 
1.62  9.131729357e+03 
1.64  7.804708820e+03 
1.66  6.681935151e+03 
1.68  5.730159374e+03 
1.70  4.921852285e+03 
1.72  4.234193340e+03 
1.74  3.648081723e+03 
1.76  3.147672612e+03 
1.78  2.719721592e+03 
1.80  2.353149465e+03 
1.82  2.038667639e+03 
1.84  1.768450000e+03 
1.86  1.535921025e+03 
1.88  1.335535975e+03 
1.90  1.162609525e+03 
1.92  1.013189023e+03 
1.94  8.839212671e+02 
1.96  7.719196329e+02 
1.98  6.747574605e+02 
2.00  5.903659727e+02 
2.02  5.169788266e+02 
2.04  4.530874938e+02 
2.06  3.974031639e+02 
2.08  3.488304502e+02 
2.10  3.064013588e+02 
2.12  2.692998675e+02 
2.14  2.368238458e+02 
2.16  2.083682785e+02 
2.18  1.834105698e+02 
2.20  1.615007681e+02 
2.22  1.422485348e+02 
2.24  1.253162508e+02 
2.26  1.104151988e+02 
2.28  9.728684729e+01 
2.30  8.571065355e+01 
2.32  7.549521344e+01 
2.34  6.647185417e+01 
2.36  5.849784488e+01 
2.38  5.144670924e+01 
2.40  4.520777062e+01 
2.42  3.968435535e+01 
2.44  3.479188854e+01 
2.46  3.045630480e+01 
2.48  2.661269293e+01 
2.50  2.320704690e+01 
2.52  2.018624557e+01 
2.54  1.750571667e+01 
2.56  1.512513076e+01 
2.58  1.301234571e+01 
2.60  1.113766102e+01 
2.62  9.474357829e+00 
2.64  7.998926954e+00 
2.66  6.690538228e+00 
2.68  5.530828036e+00 
2.70  4.503394827e+00 
2.72  3.593708124e+00 
2.74  2.788895554e+00 
2.76  2.077510925e+00 
2.78  1.449367312e+00 
2.80  8.954129960e-01 
2.82  4.075429104e-01 
2.84 -2.092204357e-02 
2.86 -3.975300707e-01 
2.88 -7.274060672e-01 
2.90 -1.015533938e+00 
2.92 -1.266452047e+00 
2.94 -1.484130435e+00 
2.96 -1.672194920e+00 
2.98 -1.833795864e+00 
3.00 -1.971714198e+00 
3.02 -2.088405163e+00 
3.04 -2.186036177e+00 
3.06 -2.266540933e+00 
3.08 -2.331620245e+00 
3.10 -2.382735736e+00 
3.12 -2.421226026e+00 
3.14 -2.448287428e+00 
3.16 -2.464995256e+00 
3.18 -2.472322623e+00 
3.20 -2.471156823e+00 
3.22 -2.462313385e+00 
3.24 -2.446547942e+00 
3.26 -2.424566028e+00 
3.28 -2.397026505e+00 
3.30 -2.365005448e+00 
3.32 -2.328647300e+00 
3.34 -2.288404061e+00 
3.36 -2.244844492e+00 
3.38 -2.198449192e+00 
3.40 -2.149723414e+00 
3.42 -2.099228163e+00 
3.44 -2.047411506e+00 
3.46 -1.994681267e+00 
3.48 -1.941419255e+00 
3.50 -1.887974831e+00 
3.52 -1.834664036e+00 
3.54 -1.781768950e+00 
3.56 -1.729537383e+00 
3.58 -1.678182967e+00 
3.60 -1.627885683e+00 
3.62 -1.578792856e+00 
3.64 -1.531020595e+00 
3.66 -1.484655646e+00 
3.68 -1.439757615e+00 
3.70 -1.396361476e+00 
3.72 -1.354480304e+00 
3.74 -1.314108125e+00 
3.76 -1.275222829e+00 
3.78 -1.237787722e+00 
3.80 -1.201757081e+00 
3.82 -1.167078705e+00 
3.84 -1.133693178e+00 
3.86 -1.101537657e+00 
3.88 -1.070547692e+00 
3.90 -1.040658755e+00 
3.92 -1.011807482e+00 
3.94 -9.839326191e-01 
3.96 -9.569757137e-01 
3.98 -9.308815697e-01 
4.00 -9.055984916e-01 
4.02 -8.810783573e-01 
4.04 -8.578917151e-01 
4.06 -8.353292279e-01 
4.08 -8.132746374e-01 
4.10 -7.917171050e-01 
4.12 -7.706443385e-01 
4.14 -7.500427115e-01 
4.16 -7.298973805e-01 
4.18 -7.101924032e-01 
4.20 -6.909108612e-01 
4.22 -6.720349874e-01 
4.24 -6.535463025e-01 
4.26 -6.354257607e-01 
4.28 -6.176539048e-01 
4.30 -6.002110334e-01 
4.32 -5.830863697e-01 
4.34 -5.663162250e-01 
4.36 -5.498015971e-01 
4.38 -5.335259827e-01 
4.40 -5.174732988e-01 
4.42 -5.016281160e-01 
4.44 -4.859727010e-01 
4.46 -4.704936400e-01 
4.48 -4.551830788e-01 
4.50 -4.400303433e-01 
4.52 -4.250264912e-01 
4.54 -4.101644691e-01 
4.56 -3.954392419e-01 
4.58 -3.808478926e-01 
4.60 -3.663896881e-01 
4.62 -3.520659652e-01 
4.64 -3.378791860e-01 
4.66 -3.238367704e-01 
4.68 -3.099466515e-01 
4.70 -2.962187351e-01 
4.72 -2.826647482e-01 
4.74 -2.692980544e-01 
4.76 -2.561334413e-01 
4.78 -2.431868805e-01 
4.80 -2.304752679e-01 
4.82 -2.180161358e-01 
4.84 -2.058270155e-01 
4.86 -1.939263043e-01 
4.88 -1.823317394e-01 
4.90 -1.710605428e-01 
4.92 -1.601291453e-01 
4.94 -1.495529252e-01 
4.96 -1.393459692e-01 
4.98 -1.295208568e-01 
5.00 -1.200884744e-01 
5.02 -1.110578601e-01 
5.04 -1.024360813e-01 
5.06 -9.422814828e-02 
5.08 -8.643696106e-02 
5.10 -7.906329233e-02 
5.12 -7.210580340e-02 
5.14 -6.556109229e-02 
5.16 -5.942377138e-02 
5.18 -5.368657198e-02 
5.20 -4.834047219e-02 
5.22 -4.337484486e-02 
5.24 -3.877762154e-02 
5.26 -3.453546864e-02 
5.28 -3.063397188e-02 
5.30 -2.705782514e-02 
5.32 -2.379102010e-02 
5.34 -2.081703327e-02 
5.36 -1.811900728e-02 
5.38 -1.567992381e-02 
5.40 -1.348276569e-02 
5.42 -1.151066639e-02 
5.44 -9.761303905e-03 
5.46 -8.277487509e-03 
5.48 -6.958234242e-03 
5.50 -5.789802626e-03 
5.52 -4.758999107e-03 
5.54 -3.853242346e-03 
5.56 -3.060614677e-03 
5.58 -2.369899053e-03 
5.60 -1.770602554e-03 
5.62 -1.252967702e-03 
5.64 -8.079728943e-04 
5.66 -4.273233170e-04 
5.68 -1.034337229e-04 
5.70  2.342818589e-05 
5.72  2.148361550e-05 
5.74  1.967860598e-05 
5.76  1.800468115e-05 
5.78  1.645377199e-05 
5.80  1.501820437e-05 
5.82  1.369068661e-05 
5.84  1.246429696e-05 
5.86  1.133247110e-05 
5.88  1.028898962e-05 
5.90  9.327965536e-06 
5.92  8.443831896e-06 
5.94  7.631329447e-06 
5.96  6.885494464e-06 
5.98  6.201646705e-06 
6.00  5.575377554e-06