# 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 = ClRb2
# 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  nan             
1.20  8.910810563e+06 
1.22  6.915818950e+06 
1.24  5.389578008e+06 
1.26  4.216897588e+06 
1.28  3.312100314e+06 
1.30  2.611160685e+06 
1.32  2.066014443e+06 
1.34  1.640419007e+06 
1.36  1.306929875e+06 
1.38  1.044676507e+06 
1.40  8.377249595e+05 
1.42  6.738618170e+05 
1.44  5.436900186e+05 
1.46  4.399526795e+05 
1.48  3.570252434e+05 
1.50  2.905334675e+05 
1.52  2.370634435e+05 
1.54  1.939422091e+05 
1.56  1.590703446e+05 
1.58  1.307933033e+05 
1.60  1.078034374e+05 
1.62  8.906421005e+04 
1.64  7.375149728e+04 
1.66  6.120819790e+04 
1.68  5.090900658e+04 
1.70  4.243287070e+04 
1.72  3.544128603e+04 
1.74  2.966147878e+04 
1.76  2.487313629e+04 
1.78  2.089784217e+04 
1.80  1.759078826e+04 
1.82  1.483409439e+04 
1.84  1.253167065e+04 
1.86  1.060498015e+04 
1.88  8.989695386e+03 
1.90  7.633023124e+03 
1.92  6.491512800e+03 
1.94  5.529366198e+03 
1.96  4.717018488e+03 
1.98  4.030002167e+03 
2.00  3.448036471e+03 
2.02  2.954292525e+03 
2.04  2.534726631e+03 
2.06  2.177649807e+03 
2.08  1.873303469e+03 
2.10  1.613521903e+03 
2.12  1.391463066e+03 
2.14  1.201384396e+03 
2.16  1.038461991e+03 
2.18  8.986323258e+02 
2.20  7.784605090e+02 
2.22  6.750514212e+02 
2.24  5.859555971e+02 
2.26  5.090981404e+02 
2.28  4.427191870e+02 
2.30  3.853237965e+02 
2.32  3.356398748e+02 
2.34  2.925824549e+02 
2.36  2.552295170e+02 
2.38  2.227897991e+02 
2.40  1.945872519e+02 
2.42  1.700435238e+02 
2.44  1.486627723e+02 
2.46  1.300193862e+02 
2.48  1.137476262e+02 
2.50  9.953282168e+01 
2.52  8.710392184e+01 
2.54  7.622723565e+01 
2.56  6.670104617e+01 
2.58  5.835105055e+01 
2.60  5.102621475e+01 
2.62  4.459759130e+01 
2.64  3.895042558e+01 
2.66  3.398653612e+01 
2.68  2.962075187e+01 
2.70  2.577894272e+01 
2.72  2.239649432e+01 
2.74  1.941720040e+01 
2.76  1.679204188e+01 
2.78  1.447822499e+01 
2.80  1.243835377e+01 
2.82  1.063971754e+01 
2.84  9.053588220e+00 
2.86  7.654381977e+00 
2.88  6.420833590e+00 
2.90  5.333604770e+00 
2.92  4.375672610e+00 
2.94  3.532072877e+00 
2.96  2.789644598e+00 
2.98  2.136835002e+00 
3.00  1.563195802e+00 
3.02  1.059941838e+00 
3.04  6.191247980e-01 
3.06  2.337272323e-01 
3.08 -1.024509039e-01 
3.10 -3.948915215e-01 
3.12 -6.484453759e-01 
3.14 -8.673995842e-01 
3.16 -1.055568608e+00 
3.18 -1.216387961e+00 
3.20 -1.352857674e+00 
3.22 -1.467569328e+00 
3.24 -1.562907898e+00 
3.26 -1.641000918e+00 
3.28 -1.703737398e+00 
3.30 -1.752830011e+00 
3.32 -1.789810170e+00 
3.34 -1.816049520e+00 
3.36 -1.832783171e+00 
3.38 -1.841125255e+00 
3.40 -1.842082320e+00 
3.42 -1.836564850e+00 
3.44 -1.825397128e+00 
3.46 -1.809325702e+00 
3.48 -1.789026624e+00 
3.50 -1.765119670e+00 
3.52 -1.738159973e+00 
3.54 -1.708652659e+00 
3.56 -1.677039420e+00 
3.58 -1.643708839e+00 
3.60 -1.609021047e+00 
3.62 -1.573296653e+00 
3.64 -1.536819716e+00 
3.66 -1.499840584e+00 
3.68 -1.462699261e+00 
3.70 -1.425452272e+00 
3.72 -1.388251481e+00 
3.74 -1.351243859e+00 
3.76 -1.314554324e+00 
3.78 -1.278288051e+00 
3.80 -1.242532646e+00 
3.82 -1.207360177e+00 
3.84 -1.172829041e+00 
3.86 -1.138985676e+00 
3.88 -1.105866112e+00 
3.90 -1.073497361e+00 
3.92 -1.041898653e+00 
3.94 -1.011082541e+00 
3.96 -9.810558538e-01 
3.98 -9.518205481e-01 
4.00 -9.233744379e-01 
4.02 -8.957118368e-01 
4.04 -8.691315972e-01 
4.06 -8.432881809e-01 
4.08 -8.181300774e-01 
4.10 -7.936547926e-01 
4.12 -7.698565521e-01 
4.14 -7.467268139e-01 
4.16 -7.242547414e-01 
4.18 -7.024276323e-01 
4.20 -6.812313051e-01 
4.22 -6.606504416e-01 
4.24 -6.406688878e-01 
4.26 -6.212699130e-01 
4.28 -6.024364306e-01 
4.30 -5.841511829e-01 
4.32 -5.663968920e-01 
4.34 -5.491563813e-01 
4.36 -5.324126703e-01 
4.38 -5.161490467e-01 
4.40 -5.003491187e-01 
4.42 -4.849968513e-01 
4.44 -4.700765902e-01 
4.46 -4.555730755e-01 
4.48 -4.414714481e-01 
4.50 -4.278831879e-01 
4.52 -4.146876907e-01 
4.54 -4.018220652e-01 
4.56 -3.892778720e-01 
4.58 -3.770464084e-01 
4.60 -3.651187811e-01 
4.62 -3.534856566e-01 
4.64 -3.421365569e-01 
4.66 -3.310708725e-01 
4.68 -3.202722212e-01 
4.70 -3.097318551e-01 
4.72 -2.994412195e-01 
4.74 -2.893920073e-01 
4.76 -2.795762081e-01 
4.78 -2.699861541e-01 
4.80 -2.606145600e-01 
4.82 -2.514545579e-01 
4.84 -2.424997271e-01 
4.86 -2.337441179e-01 
4.88 -2.251822696e-01 
4.90 -2.168092229e-01 
4.92 -2.086205258e-01 
4.94 -2.006122349e-01 
4.96 -1.927805967e-01 
4.98 -1.851229277e-01 
5.00 -1.776368455e-01 
5.02 -1.703203288e-01 
5.04 -1.631717857e-01 
5.06 -1.561900240e-01 
5.08 -1.493742168e-01 
5.10 -1.427238658e-01 
5.12 -1.362387614e-01 
5.14 -1.299189406e-01 
5.16 -1.237646431e-01 
5.18 -1.177762669e-01 
5.20 -1.119543227e-01 
5.22 -1.062993890e-01 
5.24 -1.008120676e-01 
5.26 -9.549294026e-02 
5.28 -9.034252734e-02 
5.30 -8.536124833e-02 
5.32 -8.054938525e-02 
5.34 -7.590704892e-02 
5.36 -7.143414856e-02 
5.38 -6.713036511e-02 
5.40 -6.299512822e-02 
5.42 -5.902759735e-02 
5.44 -5.522664680e-02 
5.46 -5.159085498e-02 
5.48 -4.811849766e-02 
5.50 -4.480754525e-02 
5.52 -4.165566398e-02 
5.54 -3.866022070e-02 
5.56 -3.581829125e-02 
5.58 -3.312667199e-02 
5.60 -3.058189423e-02 
5.62 -2.818024133e-02 
5.64 -2.591776806e-02 
5.66 -2.379032186e-02 
5.68 -2.179356573e-02 
5.70 -1.995323723e-02 
5.72 -1.825853000e-02 
5.74 -1.667314892e-02 
5.76 -1.519308253e-02 
5.78 -1.381418311e-02 
5.80 -1.253219799e-02 
5.82 -1.134279976e-02 
5.84 -1.024161521e-02 
5.86 -9.224252736e-03 
5.88 -8.286328111e-03 
5.90 -7.423488376e-03 
5.92 -6.631433862e-03 
5.94 -5.905938193e-03 
5.96 -5.242866238e-03 
5.98 -4.638189996e-03 
6.00 -4.088002421e-03