# 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 = BrLi2
# 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  1.454180946e+06 
1.12  1.119443910e+06 
1.14  8.656328462e+05 
1.16  6.722646262e+05 
1.18  5.242668659e+05 
1.20  4.104916819e+05 
1.22  3.226507781e+05 
1.24  2.545524448e+05 
1.26  2.015485481e+05 
1.28  1.601344836e+05 
1.30  1.276554280e+05 
1.32  1.020919148e+05 
1.34  8.190159568e+04 
1.36  6.590130946e+04 
1.38  5.318025975e+04 
1.40  4.303450713e+04 
1.42  3.491801168e+04 
1.44  2.840575180e+04 
1.46  2.316579809e+04 
1.48  1.893792705e+04 
1.50  1.551746896e+04 
1.52  1.274311549e+04 
1.54  1.048720574e+04 
1.56  8.648413154e+03 
1.58  7.146089140e+03 
1.60  5.915882443e+03 
1.62  4.906305500e+03 
1.64  4.076028333e+03 
1.66  3.391815297e+03 
1.68  2.826841064e+03 
1.70  2.359420921e+03 
1.72  1.972025464e+03 
1.74  1.650384085e+03 
1.76  1.382879012e+03 
1.78  1.160033346e+03 
1.80  9.740974185e+02 
1.82  8.187034950e+02 
1.84  6.886649838e+02 
1.86  5.796940382e+02 
1.88  4.882563768e+02 
1.90  4.114337679e+02 
1.92  3.468135625e+02 
1.94  2.923961904e+02 
1.96  2.465221445e+02 
1.98  2.078064718e+02 
2.00  1.751062503e+02 
2.02  1.474635004e+02 
2.04  1.240778360e+02 
2.06  1.042786013e+02 
2.08  8.750633899e+01 
2.10  7.329118175e+01 
2.12  6.123790576e+01 
2.14  5.101483811e+01 
2.16  4.234146066e+01 
2.18  3.498126412e+01 
2.20  2.873399742e+01 
2.22  2.343594354e+01 
2.24  1.894476824e+01 
2.26  1.513997211e+01 
2.28  1.191943069e+01 
2.30  9.196500114e+00 
2.32  6.897593658e+00 
2.34  4.960150390e+00 
2.36  3.330230346e+00 
2.38  1.963312990e+00 
2.40  8.208488019e-01 
2.42 -1.302688926e-01 
2.44 -9.185759774e-01 
2.46 -1.568190460e+00 
2.48 -2.099554262e+00 
2.50 -2.531135229e+00 
2.52 -2.876464714e+00 
2.54 -3.148495888e+00 
2.56 -3.358341412e+00 
2.58 -3.515508311e+00 
2.60 -3.628130024e+00 
2.62 -3.703171718e+00 
2.64 -3.746749496e+00 
2.66 -3.763733361e+00 
2.68 -3.758486071e+00 
2.70 -3.734736744e+00 
2.72 -3.695672093e+00 
2.74 -3.644012767e+00 
2.76 -3.582037184e+00 
2.78 -3.511781927e+00 
2.80 -3.434949549e+00 
2.82 -3.352981623e+00 
2.84 -3.267106421e+00 
2.86 -3.178369293e+00 
2.88 -3.087658554e+00 
2.90 -2.995727545e+00 
2.92 -2.903213431e+00 
2.94 -2.810653239e+00 
2.96 -2.718725839e+00 
2.98 -2.627799199e+00 
3.00 -2.537941165e+00 
3.02 -2.449341726e+00 
3.04 -2.362392533e+00 
3.06 -2.277105038e+00 
3.08 -2.193572186e+00 
3.10 -2.111910157e+00 
3.12 -2.032204950e+00 
3.14 -1.954517714e+00 
3.16 -1.878888665e+00 
3.18 -1.805340568e+00 
3.20 -1.733881833e+00 
3.22 -1.664549527e+00 
3.24 -1.597291056e+00 
3.26 -1.532077708e+00 
3.28 -1.468886041e+00 
3.30 -1.407688506e+00 
3.32 -1.348454717e+00 
3.34 -1.291152491e+00 
3.36 -1.235748645e+00 
3.38 -1.182206814e+00 
3.40 -1.130496664e+00 
3.42 -1.080584859e+00 
3.44 -1.032438322e+00 
3.46 -9.860243125e-01 
3.48 -9.413103136e-01 
3.50 -8.982638523e-01 
3.52 -8.568522769e-01 
3.54 -8.170423420e-01 
3.56 -7.788002750e-01 
3.58 -7.420916857e-01 
3.60 -7.068808155e-01 
3.62 -6.731306518e-01 
3.64 -6.408028245e-01 
3.66 -6.098575601e-01 
3.68 -5.802536967e-01 
3.70 -5.519487572e-01 
3.72 -5.251139882e-01 
3.74 -4.995001384e-01 
3.76 -4.750059230e-01 
3.78 -4.515925645e-01 
3.80 -4.292200743e-01 
3.82 -4.078476524e-01 
3.84 -3.874340856e-01 
3.86 -3.679381346e-01 
3.88 -3.493296415e-01 
3.90 -3.316285028e-01 
3.92 -3.147127722e-01 
3.94 -2.985456945e-01 
3.96 -2.830918691e-01 
3.98 -2.683174336e-01 
4.00 -2.541902019e-01 
4.02 -2.406797592e-01 
4.04 -2.277575155e-01 
4.06 -2.153967209e-01 
4.08 -2.035724460e-01 
4.10 -1.922615332e-01 
4.12 -1.814425218e-01 
4.14 -1.710955530e-01 
4.16 -1.612022593e-01 
4.18 -1.517456422e-01 
4.20 -1.427099434e-01 
4.22 -1.341866025e-01 
4.24 -1.260658478e-01 
4.26 -1.182988040e-01 
4.28 -1.108779491e-01 
4.30 -1.037956848e-01 
4.32 -9.704431171e-02 
4.34 -9.061581411e-02 
4.36 -8.450238488e-02 
4.38 -7.869599834e-02 
4.40 -7.318839647e-02 
4.42 -6.797116979e-02 
4.44 -6.303576127e-02 
4.46 -5.837347412e-02 
4.48 -5.397548336e-02 
4.50 -4.983285060e-02 
4.52 -4.593654173e-02 
4.54 -4.227744704e-02 
4.56 -3.884640337e-02 
4.58 -3.563421787e-02 
4.60 -3.263169289e-02 
4.62 -2.982965167e-02 
4.64 -2.721896431e-02 
4.66 -2.479057376e-02 
4.68 -2.253552142e-02 
4.70 -2.044497198e-02 
4.72 -1.851023736e-02 
4.74 -1.672279928e-02 
4.76 -1.507759711e-02 
4.78 -1.359247747e-02 
4.80 -1.222473376e-02 
4.82 -1.096748072e-02 
4.84 -9.813999676e-03 
4.86 -8.757759434e-03 
4.88 -7.792434529e-03 
4.90 -6.911920666e-03 
4.92 -6.110347366e-03 
4.94 -5.382087973e-03 
4.96 -4.721767137e-03 
4.98 -4.124265914e-03 
5.00 -3.584724669e-03 
5.02 -3.098543918e-03 
5.04 -2.661383314e-03 
5.06 -2.269158946e-03 
5.08 -1.918039132e-03 
5.10 -1.604438895e-03 
5.12 -1.325013288e-03 
5.14 -1.076649751e-03 
5.16 -8.564596649e-04 
5.18 -6.617692436e-04 
5.20 -4.901099373e-04 
5.22 -3.392084632e-04 
5.24 -2.142360036e-04 
5.26 -1.950676643e-04 
5.28 -1.773161861e-04 
5.30 -1.609713557e-04 
5.32 -1.459399687e-04 
5.34 -1.321334610e-04 
5.36 -1.194678009e-04 
5.38 -1.078633743e-04 
5.40 -9.724486274e-05 
5.42 -8.754111559e-05 
5.44 -7.868501770e-05 
5.46 -7.061335271e-05 
5.48 -6.326666341e-05 
5.50 -5.658910975e-05 
5.52 -5.052832529e-05 
5.54 -4.503527279e-05 
5.56 -4.006409975e-05 
5.58 -3.557199432e-05 
5.60 -3.151904231e-05 
5.62 -2.786808589e-05 
5.64 -2.458458420e-05 
5.66 -2.163647668e-05 
5.68 -1.899404916e-05 
5.70 -1.662980331e-05 
5.72 -1.451832957e-05 
5.74 -1.263618401e-05 
5.76 -1.096176907e-05 
5.78 -9.475218667e-06 
5.80 -8.158287534e-06 
5.82 -6.994245058e-06 
5.84 -5.967773637e-06 
5.86 -5.064871588e-06 
5.88 -4.272760637e-06 
5.90 -3.579797958e-06 
5.92 -2.975392746e-06 
5.94 -2.449927238e-06 
5.96 -1.994682138e-06 
5.98 -1.601766318e-06 
6.00 -1.264050712e-06