# 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 = Cs2Li
# 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  4.478020500e+03 
1.10  4.138823372e+03 
1.12  3.827633714e+03 
1.14  3.541876039e+03 
1.16  3.279244231e+03 
1.18  3.037663819e+03 
1.20  2.815271918e+03 
1.22  2.610391486e+03 
1.24  2.421506265e+03 
1.26  2.247248393e+03 
1.28  2.086382204e+03 
1.30  1.937786225e+03 
1.32  1.800442814e+03 
1.34  1.673429268e+03 
1.36  1.555905314e+03 
1.38  1.447104927e+03 
1.40  1.346328249e+03 
1.42  1.252937920e+03 
1.44  1.166353169e+03 
1.46  1.086040076e+03 
1.48  1.011511665e+03 
1.50  9.423209766e+02 
1.52  8.780591970e+02 
1.54  8.183529121e+02 
1.56  7.628585979e+02 
1.58  7.112608970e+02 
1.60  6.632705316e+02 
1.62  6.186214493e+02 
1.64  5.770682511e+02 
1.66  5.383861429e+02 
1.68  5.023671969e+02 
1.70  4.688200708e+02 
1.72  4.375672992e+02 
1.74  4.084452359e+02 
1.76  3.813025342e+02 
1.78  3.559989604e+02 
1.80  3.324046658e+02 
1.82  3.103982539e+02 
1.84  2.898701228e+02 
1.86  2.707167551e+02 
1.88  2.528423153e+02 
1.90  2.361581456e+02 
1.92  2.205817970e+02 
1.94  2.060369257e+02 
1.96  1.924527780e+02 
1.98  1.797636142e+02 
2.00  1.679084509e+02 
2.02  1.568307085e+02 
2.04  1.464778859e+02 
2.06  1.368009102e+02 
2.08  1.277548326e+02 
2.10  1.192979139e+02 
2.12  1.113910933e+02 
2.14  1.039980558e+02 
2.16  9.708473345e+01 
2.18  9.062028700e+01 
2.20  8.457549486e+01 
2.22  7.892296046e+01 
2.24  7.363750627e+01 
2.26  6.869554603e+01 
2.28  6.407495217e+01 
2.30  5.975505487e+01 
2.32  5.571653008e+01 
2.34  5.194129870e+01 
2.36  4.841243575e+01 
2.38  4.511408866e+01 
2.40  4.203140344e+01 
2.42  3.915042165e+01 
2.44  3.645794072e+01 
2.46  3.394167464e+01 
2.48  3.159053761e+01 
2.50  2.939377281e+01 
2.52  2.734126740e+01 
2.54  2.542355917e+01 
2.56  2.363179761e+01 
2.58  2.195770796e+01 
2.60  2.039355773e+01 
2.62  1.893212176e+01 
2.64  1.756657722e+01 
2.66  1.629074657e+01 
2.68  1.509876234e+01 
2.70  1.398515721e+01 
2.72  1.294479016e+01 
2.74  1.197297726e+01 
2.76  1.106530441e+01 
2.78  1.021765152e+01 
2.80  9.426179836e+00 
2.82  8.687310402e+00 
2.84  7.997703843e+00 
2.86  7.354241352e+00 
2.88  6.754007045e+00 
2.90  6.194271711e+00 
2.92  5.672477974e+00 
2.94  5.186226851e+00 
2.96  4.733265681e+00 
2.98  4.311477355e+00 
3.00  3.918870775e+00 
3.02  3.553572425e+00 
3.04  3.213818965e+00 
3.06  2.897950709e+00 
3.08  2.604405865e+00 
3.10  2.331715428e+00 
3.12  2.078498586e+00 
3.14  1.843396492e+00 
3.16  1.625272024e+00 
3.18  1.422983530e+00 
3.20  1.235459725e+00 
3.22  1.061538745e+00 
3.24  9.003622474e-01 
3.26  7.512157930e-01 
3.28  6.132746608e-01 
3.30  4.857737621e-01 
3.32  3.680037927e-01 
3.34  2.593074698e-01 
3.36  1.590758667e-01 
3.38  6.674486278e-02 
3.40 -1.820827620e-02 
3.42 -9.626816685e-02 
3.44 -1.678844116e-01 
3.46 -2.334745211e-01 
3.48 -2.934266449e-01 
3.50 -3.481021019e-01 
3.52 -3.978377063e-01 
3.54 -4.429478892e-01 
3.56 -4.837266193e-01 
3.58 -5.204491288e-01 
3.60 -5.533734563e-01 
3.62 -5.827418168e-01 
3.64 -6.087818154e-01 
3.66 -6.317075186e-01 
3.68 -6.517204000e-01 
3.70 -6.690101769e-01 
3.72 -6.838630068e-01 
3.74 -6.963449503e-01 
3.76 -7.065866897e-01 
3.78 -7.147412157e-01 
3.80 -7.209523298e-01 
3.82 -7.253551645e-01 
3.84 -7.281499510e-01 
3.86 -7.293715966e-01 
3.88 -7.291251818e-01 
3.90 -7.275197916e-01 
3.92 -7.246573455e-01 
3.94 -7.206331225e-01 
3.96 -7.155362571e-01 
3.98 -7.094502074e-01 
4.00 -7.024531959e-01 
4.02 -6.946186237e-01 
4.04 -6.860154565e-01 
4.06 -6.767085858e-01 
4.08 -6.667591618e-01 
4.10 -6.562249021e-01 
4.12 -6.451603726e-01 
4.14 -6.336172449e-01 
4.16 -6.216445279e-01 
4.18 -6.092887755e-01 
4.20 -5.965942712e-01 
4.22 -5.836031901e-01 
4.24 -5.703557402e-01 
4.26 -5.568902838e-01 
4.28 -5.432434395e-01 
4.30 -5.294501690e-01 
4.32 -5.155438469e-01 
4.34 -5.015563183e-01 
4.36 -4.875179438e-01 
4.38 -4.734576347e-01 
4.40 -4.594028806e-01 
4.42 -4.453797699e-01 
4.44 -4.314130060e-01 
4.46 -4.175259202e-01 
4.48 -4.037404831e-01 
4.50 -3.900773154e-01 
4.52 -3.765557006e-01 
4.54 -3.631935978e-01 
4.56 -3.500076587e-01 
4.58 -3.370132473e-01 
4.60 -3.242244633e-01 
4.62 -3.116541690e-01 
4.64 -2.993140212e-01 
4.66 -2.872145061e-01 
4.68 -2.753649779e-01 
4.70 -2.637737010e-01 
4.72 -2.524478951e-01 
4.74 -2.413937816e-01 
4.76 -2.306166331e-01 
4.78 -2.201208226e-01 
4.80 -2.099098736e-01 
4.82 -1.999865105e-01 
4.84 -1.903527072e-01 
4.86 -1.810097353e-01 
4.88 -1.719582097e-01 
4.90 -1.631981333e-01 
4.92 -1.547289376e-01 
4.94 -1.465495223e-01 
4.96 -1.386582908e-01 
4.98 -1.310531840e-01 
5.00 -1.237317106e-01 
5.02 -1.166909750e-01 
5.04 -1.099277029e-01 
5.06 -1.034382641e-01 
5.08 -9.721869446e-02 
5.10 -9.126471465e-02 
5.12 -8.557174885e-02 
5.14 -8.013494166e-02 
5.16 -7.494917456e-02 
5.18 -7.000908176e-02 
5.20 -6.530906602e-02 
5.22 -6.084331440e-02 
5.24 -5.660581433e-02 
5.26 -5.259037011e-02 
5.28 -4.879061994e-02 
5.30 -4.520005355e-02 
5.32 -4.181203052e-02 
5.34 -3.861979924e-02 
5.36 -3.561651647e-02 
5.38 -3.279526743e-02 
5.40 -3.014908634e-02 
5.42 -2.769319658e-02 
5.44 -2.540206964e-02 
5.46 -2.325975857e-02 
5.48 -2.126012163e-02 
5.50 -1.939695985e-02 
5.52 -1.766404913e-02 
5.54 -1.605517059e-02 
5.56 -1.456413916e-02 
5.58 -1.318483012e-02 
5.60 -1.191120366e-02 
5.62 -1.073732727e-02 
5.64 -9.657395878e-03 
5.66 -8.665749901e-03 
5.68 -7.756891010e-03 
5.70 -6.925495749e-03 
5.72 -6.166427023e-03 
5.74 -5.474743512e-03 
5.76 -4.845707103e-03 
5.78 -4.274788431e-03 
5.80 -3.757670623e-03 
5.82 -3.290251385e-03 
5.84 -2.868643523e-03 
5.86 -2.489174058e-03 
5.88 -2.148382036e-03 
5.90 -1.843015192e-03 
5.92 -1.570025578e-03 
5.94 -1.326564302e-03 
5.96 -1.109975498e-03 
5.98 -9.177896481e-04 
6.00 -7.477163754e-04