# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# composition = Cr2Ti
# 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 2024-03-01

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 -1.361646831e+02 
0.92 -1.293675664e+02 
0.94 -1.229985506e+02 
0.96 -1.169236198e+02 
0.98 -1.112791831e+02 
1.00 -1.058831563e+02 
1.02 -1.004803889e+02 
1.04 -9.523487246e+01 
1.06 -9.030641227e+01 
1.08 -8.561408027e+01 
1.10 -8.118362120e+01 
1.12 -7.689964169e+01 
1.14 -7.254171714e+01 
1.16 -6.812555030e+01 
1.18 -6.384623507e+01 
1.20 -5.980425943e+01 
1.22 -5.615972760e+01 
1.24 -5.312601228e+01 
1.26 -5.058249220e+01 
1.28 -4.817740386e+01 
1.30 -4.585599344e+01 
1.32 -4.385458648e+01 
1.34 -4.231365045e+01 
1.36 -4.115528095e+01 
1.38 -4.023761391e+01 
1.40 -3.949143840e+01 
1.42 -3.890426558e+01 
1.44 -3.847042865e+01 
1.46 -3.811980542e+01 
1.48 -3.770698893e+01 
1.50 -3.707410297e+01 
1.52 -3.614362494e+01 
1.54 -3.495611625e+01 
1.56 -3.359131009e+01 
1.58 -3.212823698e+01 
1.60 -3.064633239e+01 
1.62 -2.918358226e+01 
1.64 -2.769001857e+01 
1.66 -2.606881828e+01 
1.68 -2.425035587e+01 
1.70 -2.224880797e+01 
1.72 -2.012351181e+01 
1.74 -1.792993012e+01 
1.76 -1.569183822e+01 
1.78 -1.347798389e+01 
1.80 -1.135379879e+01 
1.82 -9.368949439e+00 
1.84 -7.542117470e+00 
1.86 -6.029147239e+00 
1.88 -4.941625934e+00 
1.90 -4.150649742e+00 
1.92 -3.571403744e+00 
1.94 -3.154415539e+00 
1.96 -2.869118437e+00 
1.98 -2.689150809e+00 
2.00 -2.589917907e+00 
2.02 -2.548335457e+00 
2.04 -2.543286671e+00 
2.06 -2.555882605e+00 
2.08 -2.570269124e+00 
2.10 -2.574119842e+00 
2.12 -2.580745764e+00 
2.14 -2.619710444e+00 
2.16 -2.697746961e+00 
2.18 -2.799029061e+00 
2.20 -2.907710003e+00 
2.22 -3.012065505e+00 
2.24 -3.105522521e+00 
2.26 -3.185762900e+00 
2.28 -3.253360537e+00 
2.30 -3.309606151e+00 
2.32 -3.356155692e+00 
2.34 -3.394564120e+00 
2.36 -3.426189238e+00 
2.38 -3.452138224e+00 
2.40 -3.473164993e+00 
2.42 -3.489743819e+00 
2.44 -3.502158295e+00 
2.46 -3.510634916e+00 
2.48 -3.515830557e+00 
2.50 -3.518588808e+00 
2.52 -3.519162801e+00 
2.54 -3.517425977e+00 
2.56 -3.513177866e+00 
2.58 -3.506213219e+00 
2.60 -3.496492793e+00 
2.62 -3.483941371e+00 
2.64 -3.468478689e+00 
2.66 -3.450155816e+00 
2.68 -3.429012354e+00 
2.70 -3.405114732e+00 
2.72 -3.378596808e+00 
2.74 -3.349543758e+00 
2.76 -3.317884828e+00 
2.78 -3.283503557e+00 
2.80 -3.246519136e+00 
2.82 -3.207274764e+00 
2.84 -3.166259438e+00 
2.86 -3.123870562e+00 
2.88 -3.080266785e+00 
2.90 -3.035495250e+00 
2.92 -2.989638038e+00 
2.94 -2.942586175e+00 
2.96 -2.894155807e+00 
2.98 -2.844255390e+00 
3.00 -2.792911857e+00 
3.02 -2.740250792e+00 
3.04 -2.686472548e+00 
3.06 -2.631789494e+00 
3.08 -2.576279514e+00 
3.10 -2.519952574e+00 
3.12 -2.462827465e+00 
3.14 -2.404910240e+00 
3.16 -2.346195941e+00 
3.18 -2.286694908e+00 
3.20 -2.226452310e+00 
3.22 -2.165435111e+00 
3.24 -2.103612738e+00 
3.26 -2.041035245e+00 
3.28 -1.977848285e+00 
3.30 -1.914285735e+00 
3.32 -1.850636421e+00 
3.34 -1.787189315e+00 
3.36 -1.724186541e+00 
3.38 -1.661778205e+00 
3.40 -1.600022832e+00 
3.42 -1.538963273e+00 
3.44 -1.478599571e+00 
3.46 -1.418918912e+00 
3.48 -1.359931755e+00 
3.50 -1.301690733e+00 
3.52 -1.244290708e+00 
3.54 -1.187846404e+00 
3.56 -1.132495235e+00 
3.58 -1.078364393e+00 
3.60 -1.025528048e+00 
3.62 -9.740457125e-01 
3.64 -9.239714004e-01 
3.66 -8.753730227e-01 
3.68 -8.283189768e-01 
3.70 -7.828697806e-01 
3.72 -7.390621007e-01 
3.74 -6.968805747e-01 
3.76 -6.562946205e-01 
3.78 -6.172665555e-01 
3.80 -5.797517663e-01 
3.82 -5.436989413e-01 
3.84 -5.090501795e-01 
3.86 -4.757449236e-01 
3.88 -4.437477183e-01 
3.90 -4.130356082e-01 
3.92 -3.835829306e-01 
3.94 -3.553586497e-01 
3.96 -3.283242815e-01 
3.98 -3.024393222e-01 
4.00 -2.776619034e-01 
4.02 -2.539562004e-01 
4.04 -2.313051077e-01 
4.06 -2.096939748e-01 
4.08 -1.891078774e-01 
4.10 -1.695315525e-01 
4.12 -1.509493761e-01 
4.14 -1.333360619e-01 
4.16 -1.166500807e-01 
4.18 -1.008133442e-01 
4.20 -8.565041358e-02 
4.22 -7.119280297e-02 
4.24 -5.761271982e-02 
4.26 -4.516470364e-02 
4.28 -3.413566547e-02 
4.30 -2.477398302e-02 
4.32 -1.727680969e-02 
4.34 -1.177907501e-02 
4.36 -8.342384938e-03 
4.38 -6.951533709e-03 
4.40 -7.515640743e-03 
4.42 -9.874403126e-03 
4.44 -1.380690755e-02 
4.46 -1.904355000e-02 
4.48 -2.527861279e-02 
4.50 -3.218476821e-02 
4.52 -3.942794666e-02 
4.54 -4.669351090e-02 
4.56 -5.371543861e-02 
4.58 -6.026798342e-02 
4.60 -6.616636800e-02 
4.62 -7.127031340e-02 
4.64 -7.548476982e-02 
4.66 -7.875685627e-02 
4.68 -8.107097479e-02 
4.70 -8.244432008e-02 
4.72 -8.292584931e-02 
4.74 -8.258060383e-02 
4.76 -8.148136140e-02 
4.78 -7.969522691e-02 
4.80 -7.728614027e-02 
4.82 -7.431899308e-02 
4.84 -7.085839428e-02 
4.86 -6.697309000e-02 
4.88 -6.273379102e-02 
4.90 -5.821196509e-02 
4.92 -5.347793889e-02 
4.94 -4.860029537e-02 
4.96 -4.364421816e-02 
4.98 -3.867092887e-02 
5.00 -3.373659963e-02 
5.02 -2.889590934e-02 
5.04 -2.421457655e-02 
5.06 -1.974934322e-02 
5.08 -1.554591032e-02 
5.10 -1.164280554e-02 
5.12 -8.071289749e-03 
5.14 -4.855274354e-03 
5.16 -2.011183638e-03 
5.18  4.519966255e-04 
5.20  2.532674470e-03 
5.22  4.239713622e-03 
5.24  5.594786112e-03 
5.26  6.622774453e-03 
5.28  7.350755102e-03 
5.30  7.807784339e-03 
5.32  8.024853277e-03 
5.34  8.034088814e-03 
5.36  7.867794151e-03 
5.38  7.557459614e-03 
5.40  7.132853484e-03 
5.42  6.621298337e-03 
5.44  6.047561181e-03 
5.46  5.434103310e-03 
5.48  4.801562038e-03 
5.50  4.170803133e-03 
5.52  3.561958348e-03 
5.54  2.990654323e-03 
5.56  2.462478642e-03 
5.58  1.981831476e-03 
5.60  1.552665669e-03 
5.62  1.178202826e-03 
5.64  8.601032889e-04 
5.66  5.985860217e-04 
5.68  3.919139631e-04 
5.70  2.366179355e-04 
5.72  1.274482413e-04 
5.74  5.769207158e-05 
5.76  1.929567794e-05 
5.78  3.298003613e-06 
5.80  4.091551725e-09 
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