# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Ko-W-S-Shim-J-H-Lee-B-J--Al-H
# implementation = 2011--Ko-W-S--Al-H--LAMMPS--ipr1
# composition = Al2H
# 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  1.202852072e+02 
0.88  1.119079980e+02 
0.90  1.040593898e+02 
0.92  9.670836756e+01 
0.94  8.982555075e+01 
0.96  8.338312542e+01 
0.98  7.735477744e+01 
1.00  7.171562637e+01 
1.02  6.644216088e+01 
1.04  6.151217554e+01 
1.06  5.690470946e+01 
1.08  5.259998671e+01 
1.10  4.857935859e+01 
1.12  4.482524789e+01 
1.14  4.132109510e+01 
1.16  3.805130651e+01 
1.18  3.500120434e+01 
1.20  3.215697874e+01 
1.22  2.950564165e+01 
1.24  2.703498266e+01 
1.26  2.473352657e+01 
1.28  2.259049289e+01 
1.30  2.059575699e+01 
1.32  1.873981314e+01 
1.34  1.701373916e+01 
1.36  1.540916278e+01 
1.38  1.391822962e+01 
1.40  1.253357281e+01 
1.42  1.124828412e+01 
1.44  1.005588657e+01 
1.46  8.950308558e+00 
1.48  7.925859365e+00 
1.50  6.977205993e+00 
1.52  6.099351318e+00 
1.54  5.287613504e+00 
1.56  4.537606577e+00 
1.58  3.845222164e+00 
1.60  3.206612289e+00 
1.62  2.618173215e+00 
1.64  2.076530246e+00 
1.66  1.578523460e+00 
1.68  1.121194313e+00 
1.70  7.017730611e-01 
1.72  3.176669666e-01 
1.74 -3.355077593e-02 
1.76 -3.541514139e-01 
1.78 -6.462603765e-01 
1.80 -9.118663958e-01 
1.82 -1.152830071e+00 
1.84 -1.370891882e+00 
1.86 -1.567679724e+00 
1.88 -1.744715943e+00 
1.90 -1.903423962e+00 
1.92 -2.045134469e+00 
1.94 -2.171091235e+00 
1.96 -2.282456559e+00 
1.98 -2.380316383e+00 
2.00 -2.465685084e+00 
2.02 -2.539509964e+00 
2.04 -2.602675472e+00 
2.06 -2.656007157e+00 
2.08 -2.700275378e+00 
2.10 -2.736198780e+00 
2.12 -2.764447567e+00 
2.14 -2.785646560e+00 
2.16 -2.800378074e+00 
2.18 -2.809184613e+00 
2.20 -2.812571401e+00 
2.22 -2.811008760e+00 
2.24 -2.804934333e+00 
2.26 -2.794755180e+00 
2.28 -2.780849735e+00 
2.30 -2.763569651e+00 
2.32 -2.743245965e+00 
2.34 -2.720223991e+00 
2.36 -2.694714400e+00 
2.38 -2.666972304e+00 
2.40 -2.637268992e+00 
2.42 -2.605828176e+00 
2.44 -2.572856850e+00 
2.46 -2.538546390e+00 
2.48 -2.503073593e+00 
2.50 -2.466601645e+00 
2.52 -2.429281028e+00 
2.54 -2.391250378e+00 
2.56 -2.352637280e+00 
2.58 -2.313559019e+00 
2.60 -2.274123278e+00 
2.62 -2.234428799e+00 
2.64 -2.194565998e+00 
2.66 -2.154617537e+00 
2.68 -2.114658868e+00 
2.70 -2.074758737e+00 
2.72 -2.034979655e+00 
2.74 -1.995378341e+00 
2.76 -1.956006137e+00 
2.78 -1.916909391e+00 
2.80 -1.878129823e+00 
2.82 -1.839704861e+00 
2.84 -1.801668033e+00 
2.86 -1.764049613e+00 
2.88 -1.726875501e+00 
2.90 -1.690167848e+00 
2.92 -1.653947935e+00 
2.94 -1.618233384e+00 
2.96 -1.583039345e+00 
2.98 -1.548378686e+00 
3.00 -1.514262179e+00 
3.02 -1.480698669e+00 
3.04 -1.447695228e+00 
3.06 -1.415257305e+00 
3.08 -1.383388864e+00 
3.10 -1.352092507e+00 
3.12 -1.321369595e+00 
3.14 -1.291220359e+00 
3.16 -1.261643999e+00 
3.18 -1.232638781e+00 
3.20 -1.204202125e+00 
3.22 -1.176330686e+00 
3.24 -1.149020430e+00 
3.26 -1.122266705e+00 
3.28 -1.096064302e+00 
3.30 -1.070407522e+00 
3.32 -1.045290225e+00 
3.34 -1.020705886e+00 
3.36 -9.966476382e-01 
3.38 -9.731083206e-01 
3.40 -9.500805160e-01 
3.42 -9.275565886e-01 
3.44 -9.055287182e-01 
3.46 -8.839889316e-01 
3.48 -8.629291309e-01 
3.50 -8.423411205e-01 
3.52 -8.222166307e-01 
3.54 -8.025473397e-01 
3.56 -7.833248943e-01 
3.58 -7.645409275e-01 
3.60 -7.461870754e-01 
3.62 -7.282549924e-01 
3.64 -7.107363650e-01 
3.66 -6.936229236e-01 
3.68 -6.769064540e-01 
3.70 -6.605788075e-01 
3.72 -6.446319093e-01 
3.74 -6.290577671e-01 
3.76 -6.138484775e-01 
3.78 -5.989962328e-01 
3.80 -5.844933258e-01 
3.82 -5.703321553e-01 
3.84 -5.565052294e-01 
3.86 -5.430051699e-01 
3.88 -5.298247143e-01 
3.90 -5.169567188e-01 
3.92 -5.043941604e-01 
3.94 -4.921301381e-01 
3.96 -4.801578743e-01 
3.98 -4.684707153e-01 
4.00 -4.564198846e-01 
4.02 -4.303472827e-01 
4.04 -3.454104111e-01 
4.06 -1.358244907e-01 
4.08 -2.661892931e-02 
4.10 -2.515859748e-02 
4.12 -2.375581770e-02 
4.14 -2.240861233e-02 
4.16 -2.111506641e-02 
4.18 -1.987332580e-02 
4.20 -1.868159540e-02 
4.22 -1.753813736e-02 
4.24 -1.644126939e-02 
4.26 -1.538936307e-02 
4.28 -1.438084225e-02 
4.30 -1.341418146e-02 
4.32 -1.248790439e-02 
4.34 -1.160058239e-02 
4.36 -1.075083300e-02 
4.38 -9.937318594e-03 
4.40 -9.158744957e-03 
4.42 -8.413859995e-03 
4.44 -7.701452423e-03 
4.46 -7.020350524e-03 
4.48 -6.369420923e-03 
4.50 -5.747567411e-03 
4.52 -5.153729795e-03 
4.54 -4.586882790e-03 
4.56 -4.046034931e-03 
4.58 -3.530227530e-03 
4.60 -3.038533657e-03 
4.62 -2.928529192e-03 
4.64 -7.547988365e-03 
4.66 -2.438767906e-02 
4.68 -3.990900909e-02 
4.70 -9.285727036e-23 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00