# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Ko-W-S-Shim-J-H-Lee-B-J--Ni-H
# implementation = 2011--Ko-W-S--Ni-H--LAMMPS--ipr1
# composition = H2Ni
# 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  1.532360210e+01 
0.80  1.463682070e+01 
0.82  1.394382398e+01 
0.84  1.324830768e+01 
0.86  1.255363464e+01 
0.88  1.186284744e+01 
0.90  1.117868262e+01 
0.92  1.050358481e+01 
0.94  9.839722121e+00 
0.96  9.189001109e+00 
0.98  8.553082408e+00 
1.00  7.933395921e+00 
1.02  7.331156139e+00 
1.04  6.747377105e+00 
1.06  6.182887015e+00 
1.08  5.638342558e+00 
1.10  5.114242591e+00 
1.12  4.610941573e+00 
1.14  4.128662183e+00 
1.16  3.667507642e+00 
1.18  3.227473214e+00 
1.20  2.808457314e+00 
1.22  2.410271862e+00 
1.24  2.032652127e+00 
1.26  1.675265934e+00 
1.28  1.337722272e+00 
1.30  1.019579359e+00 
1.32  7.203520729e-01 
1.34  4.395189088e-01 
1.36  1.765283112e-01 
1.38 -6.919542286e-02 
1.40 -2.982468184e-01 
1.42 -5.112343058e-01 
1.44 -7.087758061e-01 
1.46 -8.914947153e-01 
1.48 -1.060016310e+00 
1.50 -1.214964538e+00 
1.52 -1.356959151e+00 
1.54 -1.486613204e+00 
1.56 -1.604530834e+00 
1.58 -1.711305364e+00 
1.60 -1.807517644e+00 
1.62 -1.893734673e+00 
1.64 -1.970508420e+00 
1.66 -2.038374876e+00 
1.68 -2.097853281e+00 
1.70 -2.149445539e+00 
1.72 -2.193635825e+00 
1.74 -2.230890128e+00 
1.76 -2.261656187e+00 
1.78 -2.286363552e+00 
1.80 -2.305423446e+00 
1.82 -2.319228945e+00 
1.84 -2.328155184e+00 
1.86 -2.332559626e+00 
1.88 -2.332782383e+00 
1.90 -2.329146591e+00 
1.92 -2.321958820e+00 
1.94 -2.311509522e+00 
1.96 -2.298073502e+00 
1.98 -2.281910413e+00 
2.00 -2.263265265e+00 
2.02 -2.242368943e+00 
2.04 -2.219438742e+00 
2.06 -2.194678891e+00 
2.08 -2.168281091e+00 
2.10 -2.140425042e+00 
2.12 -2.111278969e+00 
2.14 -2.081000140e+00 
2.16 -2.049735374e+00 
2.18 -2.017621542e+00 
2.20 -1.984786056e+00 
2.22 -1.951347341e+00 
2.24 -1.917415298e+00 
2.26 -1.883091753e+00 
2.28 -1.848470890e+00 
2.30 -1.813639667e+00 
2.32 -1.778678221e+00 
2.34 -1.743660258e+00 
2.36 -1.708653420e+00 
2.38 -1.673719647e+00 
2.40 -1.638647735e+00 
2.42 -1.590489271e+00 
2.44 -1.483689747e+00 
2.46 -1.415811001e+00 
2.48 -1.385136753e+00 
2.50 -1.354757446e+00 
2.52 -1.324702407e+00 
2.54 -1.294997783e+00 
2.56 -1.265666759e+00 
2.58 -1.236729759e+00 
2.60 -1.208204650e+00 
2.62 -1.180106917e+00 
2.64 -1.152449842e+00 
2.66 -1.125244670e+00 
2.68 -1.098500760e+00 
2.70 -1.072225735e+00 
2.72 -1.046425617e+00 
2.74 -1.021104958e+00 
2.76 -9.962669617e-01 
2.78 -9.719135959e-01 
2.80 -9.480457009e-01 
2.82 -9.246630882e-01 
2.84 -9.017646344e-01 
2.86 -8.793483686e-01 
2.88 -8.574115532e-01 
2.90 -8.359507601e-01 
2.92 -8.149619412e-01 
2.94 -7.944404939e-01 
2.96 -7.743813220e-01 
2.98 -7.547788920e-01 
3.00 -7.356272857e-01 
3.02 -7.169202484e-01 
3.04 -6.986512337e-01 
3.06 -6.808134444e-01 
3.08 -6.633998709e-01 
3.10 -6.464033258e-01 
3.12 -6.298164762e-01 
3.14 -6.136318729e-01 
3.16 -5.978419775e-01 
3.18 -5.824391866e-01 
3.20 -5.674158547e-01 
3.22 -5.527643143e-01 
3.24 -5.384768941e-01 
3.26 -5.245459363e-01 
3.28 -5.109638112e-01 
3.30 -4.977229309e-01 
3.32 -4.848157618e-01 
3.34 -4.722348348e-01 
3.36 -4.599727555e-01 
3.38 -4.480222132e-01 
3.40 -4.363793889e-01 
3.42 -4.250656232e-01 
3.44 -4.141157609e-01 
3.46 -4.034723036e-01 
3.48 -3.929582162e-01 
3.50 -3.827068869e-01 
3.52 -3.727205739e-01 
3.54 -3.629926818e-01 
3.56 -3.535167499e-01 
3.58 -3.442864522e-01 
3.60 -3.352955977e-01 
3.62 -3.265381302e-01 
3.64 -3.180081273e-01 
3.66 -3.096997999e-01 
3.68 -3.016074910e-01 
3.70 -2.937256745e-01 
3.72 -2.860489538e-01 
3.74 -2.785720602e-01 
3.76 -2.712898509e-01 
3.78 -2.641973077e-01 
3.80 -2.572895344e-01 
3.82 -2.505617556e-01 
3.84 -2.440093136e-01 
3.86 -2.376276671e-01 
3.88 -2.314123885e-01 
3.90 -2.253591620e-01 
3.92 -2.193661743e-01 
3.94 -2.120489919e-01 
3.96 -1.958735269e-01 
3.98 -1.360082852e-01 
4.00 -9.712816299e-23 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
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