# 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 = Cs2Id
# 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 2024-11-27

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  9.640174079e+05 
1.38  8.035463222e+05 
1.40  6.715049877e+05 
1.42  5.625579466e+05 
1.44  4.724257410e+05 
1.46  3.976651334e+05 
1.48  3.354983871e+05 
1.50  2.836770953e+05 
1.52  2.403766932e+05 
1.54  2.041119215e+05 
1.56  1.736711831e+05 
1.58  1.480627300e+05 
1.60  1.264735437e+05 
1.62  1.082348583e+05 
1.64  9.279534230e+04 
1.66  7.969955802e+04 
1.68  6.857028644e+04 
1.70  5.909443942e+04 
1.72  5.101160502e+04 
1.74  4.410461080e+04 
1.76  3.819210286e+04 
1.78  3.312230156e+04 
1.80  2.876787982e+04 
1.82  2.502175589e+04 
1.84  2.179392115e+04 
1.86  1.900836504e+04 
1.88  1.660084865e+04 
1.90  1.451697520e+04 
1.92  1.271066546e+04 
1.94  1.114274084e+04 
1.96  9.779874899e+03 
1.98  8.593624206e+03 
2.00  7.559773195e+03 
2.02  6.657596361e+03 
2.04  5.869338187e+03 
2.06  5.179771372e+03 
2.08  4.575801491e+03 
2.10  4.046196081e+03 
2.12  3.581276736e+03 
2.14  3.172683611e+03 
2.16  2.813205514e+03 
2.18  2.496604233e+03 
2.20  2.217471453e+03 
2.22  1.971126754e+03 
2.24  1.753506700e+03 
2.26  1.561075798e+03 
2.28  1.390758786e+03 
2.30  1.239876294e+03 
2.32  1.106091372e+03 
2.34  9.873557960e+02 
2.36  8.818880265e+02 
2.38  7.881355699e+02 
2.40  7.047304085e+02 
2.42  6.304728131e+02 
2.44  5.643078329e+02 
2.46  5.053123301e+02 
2.48  4.526720982e+02 
2.50  4.056703791e+02 
2.52  3.636705724e+02 
2.54  3.261187965e+02 
2.56  2.925249481e+02 
2.58  2.624538118e+02 
2.60  2.355201251e+02 
2.62  2.113832030e+02 
2.64  1.897411547e+02 
2.66  1.703261382e+02 
2.68  1.529005876e+02 
2.70  1.372533909e+02 
2.72  1.231967494e+02 
2.74  1.105626432e+02 
2.76  9.920280162e+01 
2.78  8.898579091e+01 
2.80  7.979350601e+01 
2.82  7.152058522e+01 
2.84  6.407296977e+01 
2.86  5.736663349e+01 
2.88  5.132661592e+01 
2.90  4.588525775e+01 
2.92  4.098267428e+01 
2.94  3.656508153e+01 
2.96  3.258422777e+01 
2.98  2.899675223e+01 
3.00  2.576375733e+01 
3.02  2.285033352e+01 
3.04  2.022356066e+01 
3.06  1.785651092e+01 
3.08  1.572440864e+01 
3.10  1.380438000e+01 
3.12  1.207582920e+01 
3.14  1.052014054e+01 
3.16  9.120673632e+00 
3.18  7.862305219e+00 
3.20  6.731438751e+00 
3.22  5.715877415e+00 
3.24  4.804542878e+00 
3.26  3.987435464e+00 
3.28  3.255526541e+00 
3.30  2.600664610e+00 
3.32  2.015485158e+00 
3.34  1.493325294e+00 
3.36  1.028168015e+00 
3.38  6.145726113e-01 
3.40  2.476177607e-01 
3.42 -7.714974844e-02 
3.44 -3.637612198e-01 
3.46 -6.164157805e-01 
3.48 -8.381323105e-01 
3.50 -1.031510373e+00 
3.52 -1.199281960e+00 
3.54 -1.343940950e+00 
3.56 -1.467747370e+00 
3.58 -1.572751813e+00 
3.60 -1.660818240e+00 
3.62 -1.733641869e+00 
3.64 -1.792765180e+00 
3.66 -1.839592228e+00 
3.68 -1.875401435e+00 
3.70 -1.901357015e+00 
3.72 -1.918519187e+00 
3.74 -1.927853304e+00 
3.76 -1.930238026e+00 
3.78 -1.926472658e+00 
3.80 -1.917308731e+00 
3.82 -1.903403314e+00 
3.84 -1.885396082e+00 
3.86 -1.863746561e+00 
3.88 -1.838938753e+00 
3.90 -1.811419525e+00 
3.92 -1.781590834e+00 
3.94 -1.749813421e+00 
3.96 -1.716410252e+00 
3.98 -1.681669727e+00 
4.00 -1.645848696e+00 
4.02 -1.609175285e+00 
4.04 -1.571851545e+00 
4.06 -1.534055940e+00 
4.08 -1.495945682e+00 
4.10 -1.457658899e+00 
4.12 -1.419418050e+00 
4.14 -1.381255950e+00 
4.16 -1.343216977e+00 
4.18 -1.305383948e+00 
4.20 -1.267829052e+00 
4.22 -1.230615161e+00 
4.24 -1.193797016e+00 
4.26 -1.157422267e+00 
4.28 -1.121532404e+00 
4.30 -1.086163556e+00 
4.32 -1.051347186e+00 
4.34 -1.017110691e+00 
4.36 -9.834778951e-01 
4.38 -9.504694758e-01 
4.40 -9.181033082e-01 
4.42 -8.863947501e-01 
4.44 -8.553568724e-01 
4.46 -8.250006455e-01 
4.48 -7.953350890e-01 
4.50 -7.664829982e-01 
4.52 -7.383500281e-01 
4.54 -7.108951679e-01 
4.56 -6.841257030e-01 
4.58 -6.580466625e-01 
4.60 -6.326609670e-01 
4.62 -6.079695719e-01 
4.64 -5.839716058e-01 
4.66 -5.606643738e-01 
4.68 -5.380428292e-01 
4.70 -5.161026579e-01 
4.72 -4.948369925e-01 
4.74 -4.742377943e-01 
4.76 -4.542959750e-01 
4.78 -4.350015165e-01 
4.80 -4.163435856e-01 
4.82 -3.983106454e-01 
4.84 -3.808905614e-01 
4.86 -3.640707025e-01 
4.88 -3.478380363e-01 
4.90 -3.321792181e-01 
4.92 -3.170806734e-01 
4.94 -3.025286740e-01 
4.96 -2.885090873e-01 
4.98 -2.750070378e-01 
5.00 -2.620102941e-01 
5.02 -2.495051085e-01 
5.04 -2.374778574e-01 
5.06 -2.259150753e-01 
5.08 -2.148034842e-01 
5.10 -2.041300163e-01 
5.12 -1.938818323e-01 
5.14 -1.840463344e-01 
5.16 -1.746111754e-01 
5.18 -1.655642643e-01 
5.20 -1.568937681e-01 
5.22 -1.485881116e-01 
5.24 -1.406359745e-01 
5.26 -1.330262869e-01 
5.28 -1.257482237e-01 
5.30 -1.187911976e-01 
5.32 -1.121448521e-01 
5.34 -1.057990538e-01 
5.36 -9.974388446e-02 
5.38 -9.396963431e-02 
5.40 -8.846846922e-02 
5.42 -8.325944522e-02 
5.44 -7.830577317e-02 
5.46 -7.358968993e-02 
5.48 -6.910337339e-02 
5.50 -6.483905698e-02 
5.52 -6.078903992e-02 
5.54 -5.694569713e-02 
5.56 -5.330148889e-02 
5.58 -4.984897015e-02 
5.60 -4.658079938e-02 
5.62 -4.348974707e-02 
5.64 -4.056870378e-02 
5.66 -3.781068766e-02 
5.68 -3.520885148e-02 
5.70 -3.275648925e-02 
5.72 -3.044704212e-02 
5.74 -2.827410391e-02 
5.76 -2.623142598e-02 
5.78 -2.431292159e-02 
5.80 -2.251266962e-02 
5.82 -2.082491786e-02 
5.84 -1.924408561e-02 
5.86 -1.776476581e-02 
5.88 -1.638172658e-02 
5.90 -1.508991229e-02 
5.92 -1.388444404e-02 
5.94 -1.276061971e-02 
5.96 -1.171391350e-02 
5.98 -1.073997503e-02 
6.00 -9.834627981e-03