# 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 = Br2Li
# 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  1.454568136e+06 
1.12  1.119806543e+06 
1.14  8.659727958e+05 
1.16  6.725835666e+05 
1.18  5.245663189e+05 
1.20  4.107730259e+05 
1.22  3.229152859e+05 
1.24  2.548012533e+05 
1.26  2.017827404e+05 
1.28  1.603550401e+05 
1.30  1.278632516e+05 
1.32  1.022878417e+05 
1.34  8.208638287e+04 
1.36  6.607568239e+04 
1.38  5.334488461e+04 
1.40  4.318999974e+04 
1.42  3.506494876e+04 
1.44  2.854466761e+04 
1.46  2.329718249e+04 
1.48  1.906224172e+04 
1.50  1.563514158e+04 
1.52  1.285453822e+04 
1.54  1.059274396e+04 
1.56  8.748407752e+03 
1.58  7.240856158e+03 
1.60  6.005714485e+03 
1.62  4.991474670e+03 
1.64  4.156790301e+03 
1.66  3.468407419e+03 
1.68  2.899485529e+03 
1.70  2.428326855e+03 
1.72  2.037386469e+03 
1.74  1.712382768e+03 
1.76  1.441689135e+03 
1.78  1.215818724e+03 
1.80  1.027012641e+03 
1.82  8.688969796e+02 
1.84  7.362782428e+02 
1.86  6.248619526e+02 
1.88  5.311080290e+02 
1.90  4.520912824e+02 
1.92  3.853940267e+02 
1.94  3.290110876e+02 
1.96  2.812773573e+02 
1.98  2.408030517e+02 
2.00  2.064381132e+02 
2.02  1.772208891e+02 
2.04  1.523460705e+02 
2.06  1.311377287e+02 
2.08  1.130315546e+02 
2.10  9.755302804e+01 
2.12  8.430226584e+01 
2.14  7.294358650e+01 
2.16  6.319296625e+01 
2.18  5.480990086e+01 
2.20  4.759081595e+01 
2.22  4.136820989e+01 
2.24  3.599678824e+01 
2.26  3.135346540e+01 
2.28  2.733346406e+01 
2.30  2.384788935e+01 
2.32  2.082112044e+01 
2.34  1.818876200e+01 
2.36  1.589592335e+01 
2.38  1.389577636e+01 
2.40  1.214833653e+01 
2.42  1.061936302e+01 
2.44  9.278951975e+00 
2.46  8.102226273e+00 
2.48  7.068052926e+00 
2.50  6.157142392e+00 
2.52  5.354879184e+00 
2.54  4.647456722e+00 
2.56  4.022949619e+00 
2.58  3.471055937e+00 
2.60  2.982860641e+00 
2.62  2.550631274e+00 
2.64  2.167572598e+00 
2.66  1.827932064e+00 
2.68  1.525837051e+00 
2.70  1.257895373e+00 
2.72  1.020137008e+00 
2.74  8.090875424e-01 
2.76  6.217219778e-01 
2.78  4.553415401e-01 
2.80  3.075861641e-01 
2.82  1.763807914e-01 
2.84  5.989385975e-02 
2.86 -4.349285315e-02 
2.88 -1.352099047e-01 
2.90 -2.165221231e-01 
2.92 -2.885474531e-01 
2.94 -3.522732743e-01 
2.96 -4.087583554e-01 
2.98 -4.588030135e-01 
3.00 -5.029007871e-01 
3.02 -5.414928223e-01 
3.04 -5.751269872e-01 
3.06 -6.042789867e-01 
3.08 -6.293598672e-01 
3.10 -6.507325432e-01 
3.12 -6.687141591e-01 
3.14 -6.835846176e-01 
3.16 -6.955926776e-01 
3.18 -7.049614580e-01 
3.20 -7.118933414e-01 
3.22 -7.166145636e-01 
3.24 -7.192581864e-01 
3.26 -7.199786664e-01 
3.28 -7.189339738e-01 
3.30 -7.162766625e-01 
3.32 -7.121553418e-01 
3.34 -7.067156617e-01 
3.36 -7.001008618e-01 
3.38 -6.924505433e-01 
3.40 -6.839049127e-01 
3.42 -6.745997117e-01 
3.44 -6.647461058e-01 
3.46 -6.545149589e-01 
3.48 -6.438538647e-01 
3.50 -6.328908186e-01 
3.52 -6.217448133e-01 
3.54 -6.105252765e-01 
3.56 -5.993315772e-01 
3.58 -5.882526251e-01 
3.60 -5.773665869e-01 
3.62 -5.667407354e-01 
3.64 -5.564314401e-01 
3.66 -5.464843066e-01 
3.68 -5.369344603e-01 
3.70 -5.278069695e-01 
3.72 -5.192248505e-01 
3.74 -5.110925286e-01 
3.76 -5.033807152e-01 
3.78 -4.960843781e-01 
3.80 -4.891916208e-01 
3.82 -4.826846432e-01 
3.84 -4.765407059e-01 
3.86 -4.707330784e-01 
3.88 -4.652403061e-01 
3.90 -4.600760703e-01 
3.92 -4.551435942e-01 
3.94 -4.504097537e-01 
3.96 -4.458412617e-01 
3.98 -4.414052524e-01 
4.00 -4.370697569e-01 
4.02 -4.328040925e-01 
4.04 -4.285791706e-01 
4.06 -4.243677270e-01 
4.08 -4.201444839e-01 
4.10 -4.158862476e-01 
4.12 -4.115719546e-01 
4.14 -4.071826712e-01 
4.16 -4.027015573e-01 
4.18 -3.981138022e-01 
4.20 -3.934065394e-01 
4.22 -3.887809288e-01 
4.24 -3.840354949e-01 
4.26 -3.790904916e-01 
4.28 -3.739489562e-01 
4.30 -3.686139788e-01 
4.32 -3.630887711e-01 
4.34 -3.573763459e-01 
4.36 -3.514806611e-01 
4.38 -3.454058511e-01 
4.40 -3.391562706e-01 
4.42 -3.327367170e-01 
4.44 -3.261524842e-01 
4.46 -3.194094127e-01 
4.48 -3.125139340e-01 
4.50 -3.054731076e-01 
4.52 -2.982946521e-01 
4.54 -2.909869678e-01 
4.56 -2.835591503e-01 
4.58 -2.760209966e-01 
4.60 -2.683829997e-01 
4.62 -2.606563354e-01 
4.64 -2.528528381e-01 
4.66 -2.449849664e-01 
4.68 -2.370657602e-01 
4.70 -2.291087868e-01 
4.72 -2.211280789e-01 
4.74 -2.131380638e-01 
4.76 -2.051569715e-01 
4.78 -1.972258375e-01 
4.80 -1.893245621e-01 
4.82 -1.814690719e-01 
4.84 -1.736751476e-01 
4.86 -1.659583317e-01 
4.88 -1.583338359e-01 
4.90 -1.508164479e-01 
4.92 -1.434204393e-01 
4.94 -1.361594765e-01 
4.96 -1.290465356e-01 
4.98 -1.220938227e-01 
5.00 -1.153126999e-01 
5.02 -1.087136198e-01 
5.04 -1.023060681e-01 
5.06 -9.609851486e-02 
5.08 -9.009837600e-02 
5.10 -8.431198508e-02 
5.12 -7.874457523e-02 
5.14 -7.340027167e-02 
5.16 -6.828209480e-02 
5.18 -6.339197333e-02 
5.20 -5.873076724e-02 
5.22 -5.429830002e-02 
5.24 -5.009339938e-02 
5.26 -4.611394576e-02 
5.28 -4.235692780e-02 
5.30 -3.881850369e-02 
5.32 -3.549406752e-02 
5.34 -3.237831962e-02 
5.36 -2.946533971e-02 
5.38 -2.674866204e-02 
5.40 -2.422135135e-02 
5.42 -2.187607880e-02 
5.44 -1.970519687e-02 
5.46 -1.770081252e-02 
5.48 -1.585485777e-02 
5.50 -1.415915701e-02 
5.52 -1.260549062e-02 
5.54 -1.118565415e-02 
5.56 -9.891513019e-03 
5.58 -8.715052135e-03 
5.60 -7.648420438e-03 
5.62 -6.683970193e-03 
5.64 -5.814291018e-03 
5.66 -5.032238723e-03 
5.68 -4.330959061e-03 
5.70 -3.703906603e-03 
5.72 -3.144858962e-03 
5.74 -2.647926660e-03 
5.76 -2.207558937e-03 
5.78 -1.818545872e-03 
5.80 -1.476017145e-03 
5.82 -1.175437838e-03 
5.84 -9.126016230e-04 
5.86 -6.836217177e-04 
5.88 -4.849199656e-04 
5.90 -3.132143761e-04 
5.92 -1.655054569e-04 
5.94 -3.906163690e-05 
5.96  6.914134479e-07 
5.98  7.836639580e-07 
6.00  8.512492191e-07