# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2007--Lee-B-J-Jang-J-W--Fe-H
# implementation = 2007--Lee-B-J--Fe-H--LAMMPS--ipr1
# composition = FeH2
# 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  1.650041977e+02 
0.74  1.489891087e+02 
0.76  1.344167240e+02 
0.78  1.211619433e+02 
0.80  1.091102514e+02 
0.82  9.815683945e+01 
0.84  8.820579874e+01 
0.86  7.916937939e+01 
0.88  7.096731040e+01 
0.90  6.352617494e+01 
0.92  5.677883712e+01 
0.94  5.066391566e+01 
0.96  4.512530098e+01 
0.98  4.011171201e+01 
1.00  3.557628962e+01 
1.02  3.147622357e+01 
1.04  2.777241043e+01 
1.06  2.442913980e+01 
1.08  2.141380663e+01 
1.10  1.869664741e+01 
1.12  1.625049840e+01 
1.14  1.405057402e+01 
1.16  1.207426370e+01 
1.18  1.030094585e+01 
1.20  8.711817346e+00 
1.22  7.289737354e+00 
1.24  6.019084334e+00 
1.26  4.885625052e+00 
1.28  3.876394680e+00 
1.30  2.979587021e+00 
1.32  2.184454047e+00 
1.34  1.481213953e+00 
1.36  8.609670329e-01 
1.38  3.156187196e-01 
1.40 -1.621908081e-01 
1.42 -5.791510044e-01 
1.44 -9.413398211e-01 
1.46 -1.254277524e+00 
1.48 -1.522975884e+00 
1.50 -1.751983135e+00 
1.52 -1.945425032e+00 
1.54 -2.107028203e+00 
1.56 -2.240153386e+00 
1.58 -2.347974840e+00 
1.60 -2.433213030e+00 
1.62 -2.498383376e+00 
1.64 -2.545760465e+00 
1.66 -2.577399787e+00 
1.68 -2.595157572e+00 
1.70 -2.600708880e+00 
1.72 -2.595564109e+00 
1.74 -2.581084039e+00 
1.76 -2.558493552e+00 
1.78 -2.528894142e+00 
1.80 -2.493275302e+00 
1.82 -2.452524918e+00 
1.84 -2.407438721e+00 
1.86 -2.358728900e+00 
1.88 -2.307031952e+00 
1.90 -2.252915814e+00 
1.92 -2.196886362e+00 
1.94 -2.139393328e+00 
1.96 -2.080835670e+00 
1.98 -2.021566466e+00 
2.00 -1.961897359e+00 
2.02 -1.902102598e+00 
2.04 -1.842422708e+00 
2.06 -1.783067824e+00 
2.08 -1.724220724e+00 
2.10 -1.666039570e+00 
2.12 -1.608660410e+00 
2.14 -1.552199436e+00 
2.16 -1.496499216e+00 
2.18 -1.436966230e+00 
2.20 -1.368720251e+00 
2.22 -1.315888230e+00 
2.24 -1.265881117e+00 
2.26 -1.217158848e+00 
2.28 -1.169746316e+00 
2.30 -1.123660538e+00 
2.32 -1.078911568e+00 
2.34 -1.035503323e+00 
2.36 -9.934343226e-01 
2.38 -9.526983667e-01 
2.40 -9.132851350e-01 
2.42 -8.751807331e-01 
2.44 -8.383681820e-01 
2.46 -8.028278578e-01 
2.48 -7.685378867e-01 
2.50 -7.354744990e-01 
2.52 -7.036123463e-01 
2.54 -6.729247849e-01 
2.56 -6.433841291e-01 
2.58 -6.149618768e-01 
2.60 -5.876289105e-01 
2.62 -5.613556755e-01 
2.64 -5.361123381e-01 
2.66 -5.118689252e-01 
2.68 -4.885954471e-01 
2.70 -4.662620064e-01 
2.72 -4.448388917e-01 
2.74 -4.242966607e-01 
2.76 -4.046062114e-01 
2.78 -3.857388439e-01 
2.80 -3.676663133e-01 
2.82 -3.503608742e-01 
2.84 -3.337953187e-01 
2.86 -3.179430077e-01 
2.88 -3.027778965e-01 
2.90 -2.882745552e-01 
2.92 -2.744081847e-01 
2.94 -2.611546284e-01 
2.96 -2.484903807e-01 
2.98 -2.363925922e-01 
3.00 -2.248390712e-01 
3.02 -2.138082844e-01 
3.04 -2.032793537e-01 
3.06 -1.932320519e-01 
3.08 -1.836467970e-01 
3.10 -1.745046443e-01 
3.12 -1.657872778e-01 
3.14 -1.574770001e-01 
3.16 -1.495567217e-01 
3.18 -1.420099495e-01 
3.20 -1.348207744e-01 
3.22 -1.279738588e-01 
3.24 -1.214544230e-01 
3.26 -1.152482320e-01 
3.28 -1.093415816e-01 
3.30 -1.037212843e-01 
3.32 -9.837465553e-02 
3.34 -9.328949945e-02 
3.36 -8.845409458e-02 
3.38 -8.385717996e-02 
3.40 -7.948794108e-02 
3.42 -7.533599600e-02 
3.44 -7.139138162e-02 
3.46 -6.764454016e-02 
3.48 -6.408630578e-02 
3.50 -6.070789145e-02 
3.52 -5.777852014e-02 
3.54 -5.858916057e-02 
3.56 -6.750118902e-02 
3.58 -6.504842963e-02 
3.60 -7.791572740e-23 
3.62  0.000000000e+00 
3.64  0.000000000e+00 
3.66  0.000000000e+00 
3.68  0.000000000e+00 
3.70  0.000000000e+00 
3.72  0.000000000e+00 
3.74  0.000000000e+00 
3.76  0.000000000e+00 
3.78  0.000000000e+00 
3.80  0.000000000e+00 
3.82  0.000000000e+00 
3.84  0.000000000e+00 
3.86  0.000000000e+00 
3.88  0.000000000e+00 
3.90  0.000000000e+00 
3.92  0.000000000e+00 
3.94  0.000000000e+00 
3.96  0.000000000e+00 
3.98  0.000000000e+00 
4.00  0.000000000e+00 
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