# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr
# implementation = 2011--Bonny-G--Fe-Ni-Cr--LAMMPS--ipr1
# composition = Fe2Ni
# 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  8.620342850e+03 
0.90  7.883473702e+03 
0.92  7.217656127e+03 
0.94  6.614390900e+03 
0.96  6.066043531e+03 
0.98  5.565923213e+03 
1.00  5.109210415e+03 
1.02  4.692423047e+03 
1.04  4.311178787e+03 
1.06  3.962160443e+03 
1.08  3.642187012e+03 
1.10  3.348181314e+03 
1.12  3.078940123e+03 
1.14  2.832279632e+03 
1.16  2.605185086e+03 
1.18  2.395926268e+03 
1.20  2.203088357e+03 
1.22  2.024847344e+03 
1.24  1.859697094e+03 
1.26  1.706443832e+03 
1.28  1.564036679e+03 
1.30  1.431527622e+03 
1.32  1.308048034e+03 
1.34  1.193108053e+03 
1.36  1.086702009e+03 
1.38  9.885598745e+02 
1.40  8.976071136e+02 
1.42  8.127493116e+02 
1.44  7.333360864e+02 
1.46  6.590483484e+02 
1.48  5.899322361e+02 
1.50  5.261479536e+02 
1.52  4.673196390e+02 
1.54  4.127087474e+02 
1.56  3.617417384e+02 
1.58  3.140894667e+02 
1.60  2.695268548e+02 
1.62  2.278482113e+02 
1.64  1.888748210e+02 
1.66  1.525111925e+02 
1.68  1.193064723e+02 
1.70  9.257291233e+01 
1.72  7.145858257e+01 
1.74  5.491634141e+01 
1.76  4.198269522e+01 
1.78  3.187123306e+01 
1.80  2.397358871e+01 
1.82  1.781655285e+01 
1.84  1.302631272e+01 
1.86  9.309212795e+00 
1.88  6.437698881e+00 
1.90  4.232054873e+00 
1.92  2.544473283e+00 
1.94  1.251392608e+00 
1.96  2.548667463e-01 
1.98 -5.193514754e-01 
2.00 -1.128168000e+00 
2.02 -1.614499584e+00 
2.04 -2.007994659e+00 
2.06 -2.330670201e+00 
2.08 -2.599529981e+00 
2.10 -2.827205270e+00 
2.12 -3.021182755e+00 
2.14 -3.186206647e+00 
2.16 -3.325402109e+00 
2.18 -3.440777332e+00 
2.20 -3.534260063e+00 
2.22 -3.607339598e+00 
2.24 -3.660943316e+00 
2.26 -3.695795808e+00 
2.28 -3.713082873e+00 
2.30 -3.715815727e+00 
2.32 -3.709469703e+00 
2.34 -3.701099747e+00 
2.36 -3.696581896e+00 
2.38 -3.697547890e+00 
2.40 -3.701452983e+00 
2.42 -3.704759054e+00 
2.44 -3.705126302e+00 
2.46 -3.701614701e+00 
2.48 -3.694166172e+00 
2.50 -3.682852881e+00 
2.52 -3.667774835e+00 
2.54 -3.649061938e+00 
2.56 -3.626872433e+00 
2.58 -3.601391097e+00 
2.60 -3.572823397e+00 
2.62 -3.541359912e+00 
2.64 -3.507190881e+00 
2.66 -3.470524740e+00 
2.68 -3.431586227e+00 
2.70 -3.390628280e+00 
2.72 -3.348030789e+00 
2.74 -3.304136321e+00 
2.76 -3.259112150e+00 
2.78 -3.213115366e+00 
2.80 -3.166317745e+00 
2.82 -3.118916010e+00 
2.84 -3.071132290e+00 
2.86 -3.023191147e+00 
2.88 -2.975288703e+00 
2.90 -2.927593997e+00 
2.92 -2.880270838e+00 
2.94 -2.833491079e+00 
2.96 -2.787407202e+00 
2.98 -2.741972252e+00 
3.00 -2.697035511e+00 
3.02 -2.652430784e+00 
3.04 -2.607976172e+00 
3.06 -2.563466613e+00 
3.08 -2.518662384e+00 
3.10 -2.473247288e+00 
3.12 -2.426813981e+00 
3.14 -2.378899216e+00 
3.16 -2.328991335e+00 
3.18 -2.276555219e+00 
3.20 -2.221094257e+00 
3.22 -2.162281291e+00 
3.24 -2.100234526e+00 
3.26 -2.035734349e+00 
3.28 -1.970323608e+00 
3.30 -1.906207045e+00 
3.32 -1.845739522e+00 
3.34 -1.790624601e+00 
3.36 -1.741304395e+00 
3.38 -1.696969099e+00 
3.40 -1.656102052e+00 
3.42 -1.617117313e+00 
3.44 -1.578773562e+00 
3.46 -1.540372495e+00 
3.48 -1.501715796e+00 
3.50 -1.462835781e+00 
3.52 -1.423772164e+00 
3.54 -1.384548906e+00 
3.56 -1.345170195e+00 
3.58 -1.305615354e+00 
3.60 -1.265832688e+00 
3.62 -1.225732470e+00 
3.64 -1.185179704e+00 
3.66 -1.143988275e+00 
3.68 -1.101919650e+00 
3.70 -1.058691721e+00 
3.72 -1.014006253e+00 
3.74 -9.676052978e-01 
3.76 -9.193642572e-01 
3.78 -8.694164941e-01 
3.80 -8.182695687e-01 
3.82 -7.667860527e-01 
3.84 -7.161826624e-01 
3.86 -6.675211765e-01 
3.88 -6.258630009e-01 
3.90 -5.722139706e-01 
3.92 -5.299475161e-01 
3.94 -5.054822440e-01 
3.96 -4.909689854e-01 
3.98 -4.808407653e-01 
4.00 -4.722488187e-01 
4.02 -4.642200494e-01 
4.04 -4.566102171e-01 
4.06 -4.493394207e-01 
4.08 -4.423292421e-01 
4.10 -4.354989645e-01 
4.12 -4.287692530e-01 
4.14 -4.220617297e-01 
4.16 -4.153043518e-01 
4.18 -4.084858830e-01 
4.20 -4.016190613e-01 
4.22 -3.947131543e-01 
4.24 -3.877774543e-01 
4.26 -3.808243546e-01 
4.28 -3.738672231e-01 
4.30 -3.669137109e-01 
4.32 -3.599716972e-01 
4.34 -3.530542412e-01 
4.36 -3.461751265e-01 
4.38 -3.393485319e-01 
4.40 -3.325756348e-01 
4.42 -3.258622600e-01 
4.44 -3.192247454e-01 
4.46 -3.126792777e-01 
4.48 -3.062417964e-01 
4.50 -2.999279227e-01 
4.52 -2.937077363e-01 
4.54 -2.874690576e-01 
4.56 -2.812790361e-01 
4.58 -2.752038825e-01 
4.60 -2.692948275e-01 
4.62 -2.635906046e-01 
4.64 -2.581195660e-01 
4.66 -2.529014830e-01 
4.68 -2.479490753e-01 
4.70 -2.433013943e-01 
4.72 -2.390412576e-01 
4.74 -2.350313919e-01 
4.76 -2.311421605e-01 
4.78 -2.272730508e-01 
4.80 -2.233475752e-01 
4.82 -2.193089288e-01 
4.84 -2.151162904e-01 
4.86 -2.107416727e-01 
4.88 -2.061672347e-01 
4.90 -2.013829844e-01 
4.92 -1.963848031e-01 
4.94 -1.911727327e-01 
4.96 -1.857494710e-01 
4.98 -1.801190226e-01 
5.00 -1.742808958e-01 
5.02 -1.682064095e-01 
5.04 -1.619339398e-01 
5.06 -1.555068273e-01 
5.08 -1.489558192e-01 
5.10 -1.422998266e-01 
5.12 -1.355464117e-01 
5.14 -1.286920582e-01 
5.16 -1.217223250e-01 
5.18 -1.146120623e-01 
5.20 -1.073260126e-01 
5.22 -9.982035119e-02 
5.24 -9.204606015e-02 
5.26 -8.395545942e-02 
5.28 -7.551359546e-02 
5.30 -6.671608812e-02 
5.32 -5.761363061e-02 
5.34 -4.833949275e-02 
5.36 -3.912973744e-02 
5.38 -3.031920399e-02 
5.40 -2.229733180e-02 
5.42 -1.542464065e-02 
5.44 -9.938564837e-03 
5.46 -5.893293362e-03 
5.48 -3.162235335e-03 
5.50 -1.494866176e-03 
5.52 -5.940196517e-04 
5.54 -1.810876212e-04 
5.56 -3.432665681e-05 
5.58 -2.055052556e-06 
5.60 -1.165372495e-11 
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