# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe-Cr-H
# implementation = 2022--Starikov-S--Fe-Cr-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  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  1.758378330e+02 
0.98  1.746274511e+02 
1.00  1.734980229e+02 
1.02  1.723887627e+02 
1.04  1.712935936e+02 
1.06  1.702597956e+02 
1.08  1.692943560e+02 
1.10  1.683899415e+02 
1.12  1.675038447e+02 
1.14  1.666322507e+02 
1.16  1.656867834e+02 
1.18  1.608208669e+02 
1.20  1.184251232e+02 
1.22  7.751662149e+01 
1.24  4.865292895e+01 
1.26  3.031863805e+01 
1.28  1.921050396e+01 
1.30  1.210330054e+01 
1.32  7.468698017e+00 
1.34  4.156071390e+00 
1.36  1.740576503e+00 
1.38  1.059473467e-01 
1.40 -8.259082998e-01 
1.42 -1.311382412e+00 
1.44 -1.583342759e+00 
1.46 -1.802517757e+00 
1.48 -2.049323464e+00 
1.50 -2.291632219e+00 
1.52 -2.504702643e+00 
1.54 -2.688071433e+00 
1.56 -2.851793587e+00 
1.58 -2.997354681e+00 
1.60 -3.116522597e+00 
1.62 -3.207632027e+00 
1.64 -3.285063588e+00 
1.66 -3.356866776e+00 
1.68 -3.421140336e+00 
1.70 -3.475468808e+00 
1.72 -3.522314792e+00 
1.74 -3.557501215e+00 
1.76 -3.569199449e+00 
1.78 -3.553692861e+00 
1.80 -3.524850431e+00 
1.82 -3.499764607e+00 
1.84 -3.480442884e+00 
1.86 -3.464127136e+00 
1.88 -3.448158812e+00 
1.90 -3.429489612e+00 
1.92 -3.406252255e+00 
1.94 -3.375637484e+00 
1.96 -3.334655186e+00 
1.98 -3.280850368e+00 
2.00 -3.215436450e+00 
2.02 -3.143204810e+00 
2.04 -3.070488973e+00 
2.06 -3.003235568e+00 
2.08 -2.942138389e+00 
2.10 -2.877338376e+00 
2.12 -2.806066816e+00 
2.14 -2.726452353e+00 
2.16 -2.640193130e+00 
2.18 -2.556077273e+00 
2.20 -2.485939752e+00 
2.22 -2.421736316e+00 
2.24 -2.363093690e+00 
2.26 -2.299819927e+00 
2.28 -2.237678094e+00 
2.30 -2.175225651e+00 
2.32 -2.109549158e+00 
2.34 -2.037533608e+00 
2.36 -1.957648684e+00 
2.38 -1.876088103e+00 
2.40 -1.801807942e+00 
2.42 -1.742902191e+00 
2.44 -1.703755750e+00 
2.46 -1.688532021e+00 
2.48 -1.691568007e+00 
2.50 -1.696304358e+00 
2.52 -1.699066308e+00 
2.54 -1.696775844e+00 
2.56 -1.686701577e+00 
2.58 -1.668160379e+00 
2.60 -1.641976411e+00 
2.62 -1.609704426e+00 
2.64 -1.573073398e+00 
2.66 -1.534022885e+00 
2.68 -1.495415007e+00 
2.70 -1.457841014e+00 
2.72 -1.417972091e+00 
2.74 -1.377031718e+00 
2.76 -1.336455255e+00 
2.78 -1.297923505e+00 
2.80 -1.261241129e+00 
2.82 -1.232343907e+00 
2.84 -1.211984159e+00 
2.86 -1.201402484e+00 
2.88 -1.200722674e+00 
2.90 -1.209788226e+00 
2.92 -1.228397791e+00 
2.94 -1.254707325e+00 
2.96 -1.284797599e+00 
2.98 -1.315077054e+00 
3.00 -1.342111156e+00 
3.02 -1.362443343e+00 
3.04 -1.372641174e+00 
3.06 -1.369939194e+00 
3.08 -1.352323175e+00 
3.10 -1.319858282e+00 
3.12 -1.275783540e+00 
3.14 -1.223499134e+00 
3.16 -1.167361626e+00 
3.18 -1.111714325e+00 
3.20 -1.060900044e+00 
3.22 -1.019258573e+00 
3.24 -9.908161098e-01 
3.26 -9.686629514e-01 
3.28 -9.477558761e-01 
3.30 -9.286032799e-01 
3.32 -9.115725157e-01 
3.34 -8.969824084e-01 
3.36 -8.851515925e-01 
3.38 -8.763987922e-01 
3.40 -8.710427366e-01 
3.42 -8.694255609e-01 
3.44 -8.713594382e-01 
3.46 -8.756368370e-01 
3.48 -8.810360332e-01 
3.50 -8.864749352e-01 
3.52 -8.909391298e-01 
3.54 -8.934307303e-01 
3.56 -8.929519291e-01 
3.58 -8.885050414e-01 
3.60 -8.790919848e-01 
3.62 -8.639449925e-01 
3.64 -8.440874117e-01 
3.66 -8.212623725e-01 
3.68 -7.971467211e-01 
3.70 -7.734110267e-01 
3.72 -7.516932651e-01 
3.74 -7.334983205e-01 
3.76 -7.202555232e-01 
3.78 -7.134059956e-01 
3.80 -7.141605198e-01 
3.82 -7.178527867e-01 
3.84 -7.219956698e-01 
3.86 -7.265022864e-01 
3.88 -7.312857599e-01 
3.90 -7.362593100e-01 
3.92 -7.413360656e-01 
3.94 -7.464362499e-01 
3.96 -7.514980502e-01 
3.98 -7.564625305e-01 
4.00 -7.612712010e-01 
4.02 -7.658660193e-01 
4.04 -7.701994494e-01 
4.06 -7.742544132e-01 
4.08 -7.780191324e-01 
4.10 -7.814817915e-01 
4.12 -7.846305465e-01 
4.14 -7.874536220e-01 
4.16 -7.899390904e-01 
4.18 -7.920686902e-01 
4.20 -7.938028677e-01 
4.22 -7.950978599e-01 
4.24 -7.959098434e-01 
4.26 -7.961976410e-01 
4.28 -7.959378027e-01 
4.30 -7.951145213e-01 
4.32 -7.937002996e-01 
4.34 -7.916590935e-01 
4.36 -7.890102757e-01 
4.38 -7.858130118e-01 
4.40 -7.821278359e-01 
4.42 -7.780204553e-01 
4.44 -7.735781776e-01 
4.46 -7.688936142e-01 
4.48 -7.640595873e-01 
4.50 -7.591688574e-01 
4.52 -7.543140656e-01 
4.54 -7.495829988e-01 
4.56 -7.450320641e-01 
4.58 -7.407168838e-01 
4.60 -7.367448295e-01 
4.62 -7.332383642e-01 
4.64 -7.303200401e-01 
4.66 -7.280792861e-01 
4.68 -7.264926393e-01 
4.70 -7.255099396e-01 
4.72 -7.250808992e-01 
4.74 -7.251553431e-01 
4.76 -7.256830069e-01 
4.78 -7.266137057e-01 
4.80 -7.278971460e-01 
4.82 -7.294865929e-01 
4.84 -7.313513319e-01 
4.86 -7.334129207e-01 
4.88 -7.355316782e-01 
4.90 -7.375663491e-01 
4.92 -7.393866544e-01 
4.94 -7.408668024e-01 
4.96 -7.418838856e-01 
4.98 -7.423667255e-01 
5.00 -7.422858675e-01 
5.02 -7.416124243e-01 
5.04 -7.403175727e-01 
5.06 -7.383723346e-01 
5.08 -7.357479067e-01 
5.10 -7.324150349e-01 
5.12 -7.283630694e-01 
5.14 -7.236731520e-01 
5.16 -7.184384643e-01 
5.18 -7.127441426e-01 
5.20 -7.066754417e-01 
5.22 -7.003175621e-01 
5.24 -6.937557231e-01 
5.26 -6.870750525e-01 
5.28 -6.803597737e-01 
5.30 -6.737119764e-01 
5.32 -6.672526833e-01 
5.34 -6.611031972e-01 
5.36 -6.553848855e-01 
5.38 -6.501926239e-01 
5.40 -6.453187243e-01 
5.42 -6.407546989e-01 
5.44 -6.365622088e-01 
5.46 -6.328028838e-01 
5.48 -6.295383814e-01 
5.50 -6.268303412e-01 
5.52 -6.247404104e-01 
5.54 -6.233302409e-01 
5.56 -6.226614602e-01 
5.58 -6.227951640e-01 
5.60 -6.237388782e-01 
5.62 -6.253835024e-01 
5.64 -6.276023513e-01 
5.66 -6.302676611e-01 
5.68 -6.332480317e-01 
5.70 -6.364113273e-01 
5.72 -6.396254147e-01 
5.74 -6.427581415e-01 
5.76 -6.456773739e-01 
5.78 -6.482509720e-01 
5.80 -6.503468326e-01 
5.82 -6.518327485e-01 
5.84 -6.525766251e-01 
5.86 -6.524463406e-01 
5.88 -6.513097132e-01 
5.90 -6.490488064e-01 
5.92 -6.457039821e-01 
5.94 -6.414304101e-01 
5.96 -6.363991766e-01 
5.98 -6.307835969e-01 
6.00 -6.247569992e-01