# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2017--Smirnova-D-E-Starikov-S-V--Zr-Nb
# implementation = 2017--Smirnova-D-E--Zr-Nb--LAMMPS--ipr1
# composition = Nb2Zr
# 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  2.362497266e+13 
0.98  1.089407172e+13 
1.00  5.023524373e+12 
1.02  2.316474245e+12 
1.04  1.068183228e+12 
1.06  4.925663623e+11 
1.08  2.271344542e+11 
1.10  1.047374602e+11 
1.12  4.829701540e+10 
1.14  2.227098030e+10 
1.16  1.026969574e+10 
1.18  4.735617670e+09 
1.20  2.183709516e+09 
1.22  1.006963977e+09 
1.24  4.643357958e+08 
1.26  2.141170478e+08 
1.28  9.873462626e+07 
1.30  4.552905090e+07 
1.32  2.099456509e+07 
1.34  9.681130578e+06 
1.36  4.464209081e+06 
1.38  2.058562285e+06 
1.40  9.492551836e+05 
1.42  4.377269458e+05 
1.44  2.018475784e+05 
1.46  9.307773044e+04 
1.48  4.292089556e+04 
1.50  1.979217644e+04 
1.52  9.126727669e+03 
1.54  4.208471281e+03 
1.56  1.940395627e+03 
1.58  8.944181717e+02 
1.60  4.119942623e+02 
1.62  1.894376153e+02 
1.64  8.669634447e+01 
1.66  3.918992035e+01 
1.68  1.713594888e+01 
1.70  6.808275621e+00 
1.72  1.905921454e+00 
1.74 -4.593306835e-01 
1.76 -1.621215184e+00 
1.78 -2.209773277e+00 
1.80 -2.527078482e+00 
1.82 -2.715330912e+00 
1.84 -2.855633920e+00 
1.86 -2.968365708e+00 
1.88 -3.067986926e+00 
1.90 -3.159688785e+00 
1.92 -3.242281779e+00 
1.94 -3.308860477e+00 
1.96 -3.356548346e+00 
1.98 -3.386623753e+00 
2.00 -3.400372724e+00 
2.02 -3.436579173e+00 
2.04 -3.461172215e+00 
2.06 -3.502801973e+00 
2.08 -3.562219771e+00 
2.10 -3.628756986e+00 
2.12 -3.696494605e+00 
2.14 -3.763760091e+00 
2.16 -3.831693922e+00 
2.18 -3.902752246e+00 
2.20 -3.980929952e+00 
2.22 -4.064114465e+00 
2.24 -4.150452069e+00 
2.26 -4.237955056e+00 
2.28 -4.325046615e+00 
2.30 -4.407813107e+00 
2.32 -4.481180674e+00 
2.34 -4.542267069e+00 
2.36 -4.590589008e+00 
2.38 -4.628027568e+00 
2.40 -4.659398657e+00 
2.42 -4.818730825e+00 
2.44 -4.975970839e+00 
2.46 -5.138652089e+00 
2.48 -5.292745260e+00 
2.50 -5.414669255e+00 
2.52 -5.503143087e+00 
2.54 -5.619039554e+00 
2.56 -5.720092251e+00 
2.58 -5.812151676e+00 
2.60 -5.894746286e+00 
2.62 -5.965868979e+00 
2.64 -6.024736230e+00 
2.66 -6.072662128e+00 
2.68 -6.112751976e+00 
2.70 -6.147747830e+00 
2.72 -6.178189836e+00 
2.74 -6.204259340e+00 
2.76 -6.224937268e+00 
2.78 -6.240455964e+00 
2.80 -6.251245677e+00 
2.82 -6.257541349e+00 
2.84 -6.258809057e+00 
2.86 -6.254204826e+00 
2.88 -6.243830769e+00 
2.90 -6.228598183e+00 
2.92 -6.209080672e+00 
2.94 -6.185658326e+00 
2.96 -6.158890023e+00 
2.98 -6.129306302e+00 
3.00 -6.097344638e+00 
3.02 -6.062528742e+00 
3.04 -6.024364921e+00 
3.06 -5.982752610e+00 
3.08 -5.937071172e+00 
3.10 -5.886489468e+00 
3.12 -5.827322167e+00 
3.14 -5.756403053e+00 
3.16 -5.672552690e+00 
3.18 -5.573751094e+00 
3.20 -5.456822418e+00 
3.22 -5.317226126e+00 
3.24 -5.148562323e+00 
3.26 -4.943662643e+00 
3.28 -4.696031494e+00 
3.30 -4.399522998e+00 
3.32 -4.049058257e+00 
3.34 -3.641403031e+00 
3.36 -3.175903868e+00 
3.38 -2.654857249e+00 
3.40 -2.246854625e+00 
3.42 -2.216596927e+00 
3.44 -2.186351778e+00 
3.46 -2.156450893e+00 
3.48 -2.127118603e+00 
3.50 -2.098566012e+00 
3.52 -2.070850708e+00 
3.54 -2.043718027e+00 
3.56 -2.016886773e+00 
3.58 -1.990070374e+00 
3.60 -1.962973488e+00 
3.62 -1.935290918e+00 
3.64 -1.906690212e+00 
3.66 -1.876846577e+00 
3.68 -1.845645106e+00 
3.70 -1.812882617e+00 
3.72 -1.778171464e+00 
3.74 -1.740888553e+00 
3.76 -1.700283208e+00 
3.78 -1.655369759e+00 
3.80 -1.604736105e+00 
3.82 -1.546359214e+00 
3.84 -1.478318351e+00 
3.86 -1.398739581e+00 
3.88 -1.305757839e+00 
3.90 -1.198774142e+00 
3.92 -1.080509553e+00 
3.94 -9.546547831e-01 
3.96 -8.252002069e-01 
3.98 -6.962240852e-01 
4.00 -5.715902978e-01 
4.02 -4.547005540e-01 
4.04 -3.484773734e-01 
4.06 -2.551712749e-01 
4.08 -1.749423631e-01 
4.10 -1.063947250e-01 
4.12 -4.815051287e-02 
4.14  1.020422436e-03 
4.16  4.215412711e-02 
4.18  7.607971274e-02 
4.20  1.034188396e-01 
4.22  1.245972665e-01 
4.24  1.391462580e-01 
4.26  2.347523468e-01 
4.28  4.457591971e-01 
4.30  6.745103117e-01 
4.32  8.268253346e-01 
4.34  8.623307575e-01 
4.36  7.927731737e-01 
4.38  6.593285391e-01 
4.40  5.081196820e-01 
4.42  3.736421150e-01 
4.44  2.727590699e-01 
4.46  2.073236607e-01 
4.48  1.710055988e-01 
4.50  1.538341591e-01 
4.52  1.489539509e-01 
4.54  1.543609986e-01 
4.56  1.713496467e-01 
4.58  2.038343223e-01 
4.60  2.580733742e-01 
4.62  3.423551251e-01 
4.64  4.663930889e-01 
4.66  6.403199485e-01 
4.68  8.732898222e-01 
4.70  1.171786893e+00 
4.72  1.537847330e+00 
4.74  1.969718806e+00 
4.76  2.464774203e+00 
4.78  3.017324729e+00 
4.80  3.618082549e+00 
4.82  4.254141428e+00 
4.84  4.909109976e+00 
4.86  5.563460377e+00 
4.88  6.195064073e+00 
4.90  6.779920505e+00 
4.92  7.293121846e+00 
4.94  7.709978709e+00 
4.96  8.007283044e+00 
4.98  8.168122438e+00 
5.00  8.197463361e+00 
5.02  8.110537259e+00 
5.04  7.925758949e+00 
5.06  7.663293662e+00 
5.08  7.343732954e+00 
5.10  6.987079945e+00 
5.12  6.611986956e+00 
5.14  6.235256311e+00 
5.16  5.871542475e+00 
5.18  5.533352809e+00 
5.20  5.231157563e+00 
5.22  4.973280292e+00 
5.24  4.758277197e+00 
5.26  4.577771884e+00 
5.28  4.424196555e+00 
5.30  4.290782448e+00 
5.32  4.171367191e+00 
5.34  4.060284656e+00 
5.36  3.952257533e+00 
5.38  3.842439702e+00 
5.40  3.726479313e+00 
5.42  3.600288096e+00 
5.44  3.460256780e+00 
5.46  3.303374006e+00 
5.48  3.128179004e+00 
5.50  2.935672201e+00 
5.52  2.727585141e+00 
5.54  2.506138122e+00 
5.56  2.274033377e+00 
5.58  2.034441655e+00 
5.60  1.790971341e+00 
5.62  1.547608286e+00 
5.64  1.308649515e+00 
5.66  1.078587063e+00 
5.68  8.619722334e-01 
5.70  6.632304415e-01 
5.72  4.868274399e-01 
5.74  3.381062934e-01 
5.76  2.199431208e-01 
5.78  1.318907474e-01 
5.80  7.087865169e-02 
5.82  3.208576974e-02 
5.84  9.870100580e-03 
5.86 -1.354244514e-03 
5.88 -6.392296487e-03 
5.90 -8.776060250e-03 
5.92 -1.055777245e-02 
5.94 -1.232635410e-02 
5.96 -1.350515940e-02 
5.98 -1.380632183e-02 
6.00 -1.332618466e-02