# 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 = IdK2
# 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  4.669230975e+06 
1.30  3.750070449e+06 
1.32  3.021763500e+06 
1.34  2.442665405e+06 
1.36  1.980647883e+06 
1.38  1.610829306e+06 
1.40  1.313867291e+06 
1.42  1.074671428e+06 
1.44  8.814261742e+05 
1.46  7.248492793e+05 
1.48  5.976232647e+05 
1.50  4.939616481e+05 
1.52  4.092738461e+05 
1.54  3.399068701e+05 
1.56  2.829452820e+05 
1.58  2.360552559e+05 
1.60  1.973635070e+05 
1.62  1.653621960e+05 
1.64  1.388342313e+05 
1.66  1.167948267e+05 
1.68  9.844511057e+04 
1.70  8.313522346e+04 
1.72  7.033544583e+04 
1.74  5.961291173e+04 
1.76  5.061304471e+04 
1.78  4.304474736e+04 
1.80  3.666854148e+04 
1.82  3.128699214e+04 
1.84  2.673695730e+04 
1.86  2.288333975e+04 
1.88  1.961409110e+04 
1.90  1.683607208e+04 
1.92  1.447172535e+04 
1.94  1.245631741e+04 
1.96  1.073574250e+04 
1.98  9.264698730e+03 
2.00  8.005183325e+03 
2.02  6.925262789e+03 
2.04  5.998061083e+03 
2.06  5.200910090e+03 
2.08  4.514674839e+03 
2.10  3.923169615e+03 
2.12  3.412683889e+03 
2.14  2.971586221e+03 
2.16  2.589999952e+03 
2.18  2.259513831e+03 
2.20  1.972959314e+03 
2.22  1.724224556e+03 
2.24  1.508088011e+03 
2.26  1.320081552e+03 
2.28  1.156378856e+03 
2.30  1.013697842e+03 
2.32  8.892214675e+02 
2.34  7.805261789e+02 
2.36  6.855237904e+02 
2.38  6.024166190e+02 
2.40  5.296535937e+02 
2.42  4.658949279e+02 
2.44  4.099819066e+02 
2.46  3.609116741e+02 
2.48  3.178151329e+02 
2.50  2.799381616e+02 
2.52  2.466258918e+02 
2.54  2.173100795e+02 
2.56  1.914945083e+02 
2.58  1.687478136e+02 
2.60  1.486936548e+02 
2.62  1.310040396e+02 
2.64  1.153926341e+02 
2.66  1.016088598e+02 
2.68  8.943348913e+01 
2.70  7.867456227e+01 
2.72  6.916385805e+01 
2.74  6.075361529e+01 
2.76  5.331440786e+01 
2.78  4.673271590e+01 
2.80  4.090892470e+01 
2.82  3.575495036e+01 
2.84  3.119298643e+01 
2.86  2.715484729e+01 
2.88  2.358052500e+01 
2.90  2.041690301e+01 
2.92  1.761719243e+01 
2.94  1.514008180e+01 
2.96  1.294906667e+01 
2.98  1.101187126e+01 
3.00  9.299942300e+00 
3.02  7.788005574e+00 
3.04  6.453677169e+00 
3.06  5.277088637e+00 
3.08  4.240637252e+00 
3.10  3.328801111e+00 
3.12  2.527732379e+00 
3.14  1.825136343e+00 
3.16  1.210092097e+00 
3.18  6.728600946e-01 
3.20  2.047770155e-01 
3.22 -2.017985730e-01 
3.24 -5.536243787e-01 
3.26 -8.567889693e-01 
3.28 -1.116714372e+00 
3.30 -1.338231233e+00 
3.32 -1.525645300e+00 
3.34 -1.682796242e+00 
3.36 -1.813109708e+00 
3.38 -1.919643416e+00 
3.40 -2.005127971e+00 
3.42 -2.072002463e+00 
3.44 -2.122447941e+00 
3.46 -2.158414928e+00 
3.48 -2.181648139e+00 
3.50 -2.193709167e+00 
3.52 -2.195991501e+00 
3.54 -2.189842499e+00 
3.56 -2.176303396e+00 
3.58 -2.156345961e+00 
3.60 -2.130875654e+00 
3.62 -2.100703385e+00 
3.64 -2.066560157e+00 
3.66 -2.029092564e+00 
3.68 -1.988877944e+00 
3.70 -1.946435117e+00 
3.72 -1.902226649e+00 
3.74 -1.856664118e+00 
3.76 -1.810112806e+00 
3.78 -1.762895876e+00 
3.80 -1.715305144e+00 
3.82 -1.667586892e+00 
3.84 -1.619954795e+00 
3.86 -1.572597468e+00 
3.88 -1.525676946e+00 
3.90 -1.479331026e+00 
3.92 -1.433675446e+00 
3.94 -1.388805825e+00 
3.96 -1.344799615e+00 
3.98 -1.301718464e+00 
4.00 -1.259609083e+00 
4.02 -1.218505209e+00 
4.04 -1.178429126e+00 
4.06 -1.139393107e+00 
4.08 -1.101400771e+00 
4.10 -1.064448345e+00 
4.12 -1.028525850e+00 
4.14 -9.936181839e-01 
4.16 -9.597061223e-01 
4.18 -9.267672229e-01 
4.20 -8.947766370e-01 
4.22 -8.637078304e-01 
4.24 -8.335332144e-01 
4.26 -8.042246893e-01 
4.28 -7.757541053e-01 
4.30 -7.480936458e-01 
4.32 -7.212341218e-01 
4.34 -6.952611654e-01 
4.36 -6.699902266e-01 
4.38 -6.454019183e-01 
4.40 -6.214775351e-01 
4.42 -5.981991490e-01 
4.44 -5.755496835e-01 
4.46 -5.535129565e-01 
4.48 -5.320736979e-01 
4.50 -5.113331509e-01 
4.52 -4.911780361e-01 
4.54 -4.715509093e-01 
4.56 -4.524450082e-01 
4.58 -4.338535841e-01 
4.60 -4.157699331e-01 
4.62 -3.981874199e-01 
4.64 -3.810994949e-01 
4.66 -3.644997053e-01 
4.68 -3.483817010e-01 
4.70 -3.327392347e-01 
4.72 -3.175661586e-01 
4.74 -3.028564157e-01 
4.76 -2.886040290e-01 
4.78 -2.748030868e-01 
4.80 -2.614477254e-01 
4.82 -2.485321062e-01 
4.84 -2.360502503e-01 
4.86 -2.239964971e-01 
4.88 -2.123649711e-01 
4.90 -2.011497399e-01 
4.92 -1.903447917e-01 
4.94 -1.799440140e-01 
4.96 -1.699409440e-01 
4.98 -1.603287556e-01 
5.00 -1.511035873e-01 
5.02 -1.422565815e-01 
5.04 -1.337808708e-01 
5.06 -1.256693915e-01 
5.08 -1.179148762e-01 
5.10 -1.105098487e-01 
5.12 -1.034466226e-01 
5.14 -9.671730180e-02 
5.16 -9.031378442e-02 
5.18 -8.422776958e-02 
5.20 -7.845076653e-02 
5.22 -7.297410660e-02 
5.24 -6.778895746e-02 
5.26 -6.288633968e-02 
5.28 -5.825714518e-02 
5.30 -5.389215757e-02 
5.32 -4.978207390e-02 
5.34 -4.591752768e-02 
5.36 -4.228911287e-02 
5.38 -3.888740851e-02 
5.40 -3.570300376e-02 
5.42 -3.272652309e-02 
5.44 -2.994865125e-02 
5.46 -2.736015788e-02 
5.48 -2.495192146e-02 
5.50 -2.271495237e-02 
5.52 -2.064041486e-02 
5.54 -1.871964782e-02 
5.56 -1.694418405e-02 
5.58 -1.530576804e-02 
5.60 -1.379637202e-02 
5.62 -1.240821037e-02 
5.64 -1.113375208e-02 
5.66 -9.965731541e-03 
5.68 -8.897157304e-03 
5.70 -7.921319144e-03 
5.72 -7.031793237e-03 
5.74 -6.222445592e-03 
5.76 -5.487433788e-03 
5.78 -4.821207100e-03 
5.80 -4.218505087e-03 
5.82 -3.674354776e-03 
5.84 -3.184066522e-03 
5.86 -2.743228684e-03 
5.88 -2.347701232e-03 
5.90 -1.993608397e-03 
5.92 -1.677330510e-03 
5.94 -1.395495132e-03 
5.96 -1.144967612e-03 
5.98 -9.228411752e-04 
6.00 -7.264266617e-04