# 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 = HNi2
# 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  1.531472291e+02 
0.80  1.427057654e+02 
0.82  1.328739424e+02 
0.84  1.236220203e+02 
0.86  1.149212349e+02 
0.88  1.067438139e+02 
0.90  9.906298665e+01 
0.92  9.185298703e+01 
0.94  8.508905102e+01 
0.96  7.874740890e+01 
0.98  7.280527410e+01 
1.00  6.724082814e+01 
1.02  6.203320300e+01 
1.04  5.716246103e+01 
1.06  5.260957287e+01 
1.08  4.835639405e+01 
1.10  4.438564008e+01 
1.12  4.068086079e+01 
1.14  3.722641383e+01 
1.16  3.400743785e+01 
1.18  3.100982513e+01 
1.20  2.822019429e+01 
1.22  2.562586280e+01 
1.24  2.321481973e+01 
1.26  2.097569863e+01 
1.28  1.889775066e+01 
1.30  1.697081830e+01 
1.32  1.518530922e+01 
1.34  1.353217097e+01 
1.36  1.200286597e+01 
1.38  1.058934730e+01 
1.40  9.284035026e+00 
1.42  8.079793331e+00 
1.44  6.969908231e+00 
1.46  5.948066127e+00 
1.48  5.008333079e+00 
1.50  4.145134842e+00 
1.52  3.353237685e+00 
1.54  2.627729972e+00 
1.56  1.964004538e+00 
1.58  1.357741802e+00 
1.60  8.048936611e-01 
1.62  3.016681032e-01 
1.64 -1.554854255e-01 
1.66 -5.698899660e-01 
1.68 -9.446542916e-01 
1.70 -1.282685488e+00 
1.72 -1.586700882e+00 
1.74 -1.859239354e+00 
1.76 -2.102672046e+00 
1.78 -2.319212497e+00 
1.80 -2.510926225e+00 
1.82 -2.679739784e+00 
1.84 -2.827449318e+00 
1.86 -2.955728632e+00 
1.88 -3.066136813e+00 
1.90 -3.160125404e+00 
1.92 -3.239045183e+00 
1.94 -3.304152534e+00 
1.96 -3.356615456e+00 
1.98 -3.397519266e+00 
2.00 -3.427871882e+00 
2.02 -3.448608453e+00 
2.04 -3.460596895e+00 
2.06 -3.464641670e+00 
2.08 -3.461488118e+00 
2.10 -3.451826362e+00 
2.12 -3.436294974e+00 
2.14 -3.415484419e+00 
2.16 -3.389940286e+00 
2.18 -3.360166316e+00 
2.20 -3.326627249e+00 
2.22 -3.289751484e+00 
2.24 -3.249933582e+00 
2.26 -3.207536603e+00 
2.28 -3.162894302e+00 
2.30 -3.116313176e+00 
2.32 -3.068074390e+00 
2.34 -3.018435570e+00 
2.36 -2.967632491e+00 
2.38 -2.915880642e+00 
2.40 -2.863378698e+00 
2.42 -2.810405242e+00 
2.44 -2.757398816e+00 
2.46 -2.703850314e+00 
2.48 -2.649989078e+00 
2.50 -2.596120576e+00 
2.52 -2.542354483e+00 
2.54 -2.488789551e+00 
2.56 -2.435514449e+00 
2.58 -2.382608549e+00 
2.60 -2.330142656e+00 
2.62 -2.278179692e+00 
2.64 -2.226775322e+00 
2.66 -2.175978548e+00 
2.68 -2.125832252e+00 
2.70 -2.076373704e+00 
2.72 -2.027635034e+00 
2.74 -1.979643665e+00 
2.76 -1.932422721e+00 
2.78 -1.885991404e+00 
2.80 -1.840365334e+00 
2.82 -1.795556880e+00 
2.84 -1.751575449e+00 
2.86 -1.708427766e+00 
2.88 -1.666118126e+00 
2.90 -1.624648627e+00 
2.92 -1.584019389e+00 
2.94 -1.544228752e+00 
2.96 -1.505273459e+00 
2.98 -1.467148822e+00 
3.00 -1.429848884e+00 
3.02 -1.393366557e+00 
3.04 -1.357693750e+00 
3.06 -1.322821497e+00 
3.08 -1.288740060e+00 
3.10 -1.255439031e+00 
3.12 -1.222907427e+00 
3.14 -1.191133769e+00 
3.16 -1.160106163e+00 
3.18 -1.129812368e+00 
3.20 -1.100239855e+00 
3.22 -1.071375872e+00 
3.24 -1.043207492e+00 
3.26 -1.015721656e+00 
3.28 -9.889052256e-01 
3.30 -9.627450107e-01 
3.32 -9.372278103e-01 
3.34 -9.123404412e-01 
3.36 -8.880697655e-01 
3.38 -8.644022690e-01 
3.40 -8.384737151e-01 
3.42 -7.825457827e-01 
3.44 -6.179076690e-01 
3.46 -2.428102072e-01 
3.48 -1.893145758e-01 
3.50 -1.830882923e-01 
3.52 -1.770530537e-01 
3.54 -1.712032544e-01 
3.56 -1.655334358e-01 
3.58 -1.600382842e-01 
3.60 -1.547126286e-01 
3.62 -1.495514390e-01 
3.64 -1.445498235e-01 
3.66 -1.397030264e-01 
3.68 -1.350064250e-01 
3.70 -1.304555278e-01 
3.72 -1.260459708e-01 
3.74 -1.217735156e-01 
3.76 -1.176340460e-01 
3.78 -1.136235656e-01 
3.80 -1.097381945e-01 
3.82 -1.059741668e-01 
3.84 -1.023278275e-01 
3.86 -9.879562990e-02 
3.88 -9.537413245e-02 
3.90 -9.205999617e-02 
3.92 -8.917016798e-02 
3.94 -9.053888017e-02 
3.96 -1.008798132e-01 
3.98 -9.319381645e-02 
4.00 -9.122904935e-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