# 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 = Co2Ti
# 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 -2.083991142e+02 
0.92 -1.968568798e+02 
0.94 -1.863157503e+02 
0.96 -1.764134732e+02 
0.98 -1.676499914e+02 
1.00 -1.597793469e+02 
1.02 -1.521980882e+02 
1.04 -1.448753916e+02 
1.06 -1.378689602e+02 
1.08 -1.311428767e+02 
1.10 -1.247341545e+02 
1.12 -1.184692025e+02 
1.14 -1.119187100e+02 
1.16 -1.049456904e+02 
1.18 -9.783731453e+01 
1.20 -9.091465018e+01 
1.22 -8.464337095e+01 
1.24 -7.935310023e+01 
1.26 -7.476901916e+01 
1.28 -7.024892660e+01 
1.30 -6.568263235e+01 
1.32 -6.145669059e+01 
1.34 -5.786655532e+01 
1.36 -5.486620591e+01 
1.38 -5.229671366e+01 
1.40 -5.005632412e+01 
1.42 -4.814644465e+01 
1.44 -4.662686444e+01 
1.46 -4.546542612e+01 
1.48 -4.451311611e+01 
1.50 -4.356021126e+01 
1.52 -4.248213963e+01 
1.54 -4.127325892e+01 
1.56 -3.997865569e+01 
1.58 -3.864208879e+01 
1.60 -3.732629934e+01 
1.62 -3.605702780e+01 
1.64 -3.474422484e+01 
1.66 -3.321183219e+01 
1.68 -3.131034616e+01 
1.70 -2.901831038e+01 
1.72 -2.639902405e+01 
1.74 -2.352721753e+01 
1.76 -2.050673062e+01 
1.78 -1.742844072e+01 
1.80 -1.440630104e+01 
1.82 -1.155476376e+01 
1.84 -8.934353705e+00 
1.86 -6.582436666e+00 
1.88 -4.857593781e+00 
1.90 -3.665026780e+00 
1.92 -2.845643677e+00 
1.94 -2.305203818e+00 
1.96 -1.983469571e+00 
1.98 -1.826501170e+00 
2.00 -1.784364576e+00 
2.02 -1.811737760e+00 
2.04 -1.870429349e+00 
2.06 -1.934093256e+00 
2.08 -1.989802045e+00 
2.10 -2.052638545e+00 
2.12 -2.145859170e+00 
2.14 -2.272738653e+00 
2.16 -2.419818593e+00 
2.18 -2.574066236e+00 
2.20 -2.724027295e+00 
2.22 -2.861181253e+00 
2.24 -2.982593059e+00 
2.26 -3.089148877e+00 
2.28 -3.182018780e+00 
2.30 -3.261473376e+00 
2.32 -3.328371024e+00 
2.34 -3.384722034e+00 
2.36 -3.432383392e+00 
2.38 -3.472859538e+00 
2.40 -3.507103460e+00 
2.42 -3.535748643e+00 
2.44 -3.559212868e+00 
2.46 -3.577787621e+00 
2.48 -3.592187294e+00 
2.50 -3.603350476e+00 
2.52 -3.611598843e+00 
2.54 -3.616756237e+00 
2.56 -3.618517302e+00 
2.58 -3.616325295e+00 
2.60 -3.609562220e+00 
2.62 -3.597818652e+00 
2.64 -3.580981368e+00 
2.66 -3.559210490e+00 
2.68 -3.532725875e+00 
2.70 -3.501830020e+00 
2.72 -3.466936444e+00 
2.74 -3.428520664e+00 
2.76 -3.387152622e+00 
2.78 -3.343586984e+00 
2.80 -3.298748492e+00 
2.82 -3.253567939e+00 
2.84 -3.208705670e+00 
2.86 -3.164446061e+00 
2.88 -3.120650888e+00 
2.90 -3.076941832e+00 
2.92 -3.032879231e+00 
2.94 -2.987922269e+00 
2.96 -2.941597194e+00 
2.98 -2.893631084e+00 
3.00 -2.843950056e+00 
3.02 -2.792626188e+00 
3.04 -2.739817732e+00 
3.06 -2.685685646e+00 
3.08 -2.630269939e+00 
3.10 -2.573547035e+00 
3.12 -2.515529296e+00 
3.14 -2.456278095e+00 
3.16 -2.395905815e+00 
3.18 -2.334585459e+00 
3.20 -2.272554767e+00 
3.22 -2.209988114e+00 
3.24 -2.147089279e+00 
3.26 -2.084180636e+00 
3.28 -2.021707970e+00 
3.30 -1.960210331e+00 
3.32 -1.900252872e+00 
3.34 -1.842332611e+00 
3.36 -1.786784367e+00 
3.38 -1.733724443e+00 
3.40 -1.683068659e+00 
3.42 -1.634619881e+00 
3.44 -1.588108173e+00 
3.46 -1.543258757e+00 
3.48 -1.499844980e+00 
3.50 -1.457711539e+00 
3.52 -1.416771405e+00 
3.54 -1.376979361e+00 
3.56 -1.338317391e+00 
3.58 -1.300767681e+00 
3.60 -1.264283916e+00 
3.62 -1.228811255e+00 
3.64 -1.194291328e+00 
3.66 -1.160676847e+00 
3.68 -1.127925456e+00 
3.70 -1.095993786e+00 
3.72 -1.064822360e+00 
3.74 -1.034307690e+00 
3.76 -1.004339656e+00 
3.78 -9.748099363e-01 
3.80 -9.456124224e-01 
3.82 -9.166434782e-01 
3.84 -8.878024818e-01 
3.86 -8.589953924e-01 
3.88 -8.301637704e-01 
3.90 -8.012693621e-01 
3.92 -7.722777301e-01 
3.94 -7.431653683e-01 
3.96 -7.139280035e-01 
3.98 -6.845708745e-01 
4.00 -6.551074838e-01 
4.02 -6.255667593e-01 
4.04 -5.960056209e-01 
4.06 -5.664924118e-01 
4.08 -5.371035292e-01 
4.10 -5.079232319e-01 
4.12 -4.790429582e-01 
4.14 -4.505554813e-01 
4.16 -4.225505255e-01 
4.18 -3.951227614e-01 
4.20 -3.683767484e-01 
4.22 -3.424464144e-01 
4.24 -3.174775168e-01 
4.26 -2.936181041e-01 
4.28 -2.710036264e-01 
4.30 -2.497123000e-01 
4.32 -2.298031584e-01 
4.34 -2.117559168e-01 
4.36 -1.963747520e-01 
4.38 -1.838679233e-01 
4.40 -1.739761636e-01 
4.42 -1.661641671e-01 
4.44 -1.597818515e-01 
4.46 -1.541962103e-01 
4.48 -1.488901892e-01 
4.50 -1.435275809e-01 
4.52 -1.379822041e-01 
4.54 -1.323319835e-01 
4.56 -1.268106063e-01 
4.58 -1.217175952e-01 
4.60 -1.173324201e-01 
4.62 -1.138456140e-01 
4.64 -1.113164182e-01 
4.66 -1.096640976e-01 
4.68 -1.086920479e-01 
4.70 -1.081371704e-01 
4.72 -1.077310570e-01 
4.74 -1.072388574e-01 
4.76 -1.064868121e-01 
4.78 -1.053659633e-01 
4.80 -1.038601585e-01 
4.82 -1.020191561e-01 
4.84 -9.989967309e-02 
4.86 -9.755747472e-02 
4.88 -9.504022259e-02 
4.90 -9.238345141e-02 
4.92 -8.960781173e-02 
4.94 -8.671884527e-02 
4.96 -8.372323423e-02 
4.98 -8.068857201e-02 
5.00 -7.765293285e-02 
5.02 -7.461654375e-02 
5.04 -7.158195167e-02 
5.06 -6.854087306e-02 
5.08 -6.546855997e-02 
5.10 -6.232617962e-02 
5.12 -5.907021233e-02 
5.14 -5.566269207e-02 
5.16 -5.208017016e-02 
5.18 -4.832148269e-02 
5.20 -4.441332550e-02 
5.22 -4.040700955e-02 
5.24 -3.636248975e-02 
5.26 -3.235209056e-02 
5.28 -2.845377934e-02 
5.30 -2.474062509e-02 
5.32 -2.127206911e-02 
5.34 -1.808913459e-02 
5.36 -1.521308622e-02 
5.38 -1.264814849e-02 
5.40 -1.038623796e-02 
5.42 -8.412453360e-03 
5.44 -6.709285935e-03 
5.46 -5.258252193e-03 
5.48 -4.040118603e-03 
5.50 -3.037017662e-03 
5.52 -2.226697346e-03 
5.54 -1.585302734e-03 
5.56 -1.091519325e-03 
5.58 -7.232466886e-04 
5.60 -4.580863362e-04 
5.62 -2.746653038e-04 
5.64 -1.537362026e-04 
5.66 -7.849802703e-05 
5.68 -3.507852590e-05 
5.70 -1.250610831e-05 
5.72 -2.472889275e-06 
5.74  7.749345011e-07 
5.76  9.938212224e-07 
5.78  3.804583453e-07 
5.80 -1.385724511e-08 
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