# 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 = CoFe2
# 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 -7.385700507e+02 
0.92 -6.859341194e+02 
0.94 -6.393579121e+02 
0.96 -5.980977954e+02 
0.98 -5.601121897e+02 
1.00 -5.239285827e+02 
1.02 -4.895599805e+02 
1.04 -4.577637478e+02 
1.06 -4.286578625e+02 
1.08 -4.016421436e+02 
1.10 -3.762691566e+02 
1.12 -3.525883000e+02 
1.14 -3.308779596e+02 
1.16 -3.111710696e+02 
1.18 -2.929571817e+02 
1.20 -2.754944798e+02 
1.22 -2.584727429e+02 
1.24 -2.421730888e+02 
1.26 -2.270665747e+02 
1.28 -2.134523416e+02 
1.30 -2.011963063e+02 
1.32 -1.899967268e+02 
1.34 -1.795110115e+02 
1.36 -1.693873899e+02 
1.38 -1.593680330e+02 
1.40 -1.493958454e+02 
1.42 -1.395564088e+02 
1.44 -1.299467871e+02 
1.46 -1.205397200e+02 
1.48 -1.112372226e+02 
1.50 -1.020391685e+02 
1.52 -9.300207451e+01 
1.54 -8.421704504e+01 
1.56 -7.581511583e+01 
1.58 -6.797550185e+01 
1.60 -6.079507754e+01 
1.62 -5.420289880e+01 
1.64 -4.806690472e+01 
1.66 -4.231167396e+01 
1.68 -3.691033504e+01 
1.70 -3.180585130e+01 
1.72 -2.690627931e+01 
1.74 -2.213176923e+01 
1.76 -1.744679757e+01 
1.78 -1.307314167e+01 
1.80 -9.215866996e+00 
1.82 -6.224024142e+00 
1.84 -4.011717676e+00 
1.86 -2.429607079e+00 
1.88 -1.362488843e+00 
1.90 -7.090128030e-01 
1.92 -3.686565834e-01 
1.94 -2.465511983e-01 
1.96 -2.622366702e-01 
1.98 -3.547747601e-01 
2.00 -4.959610718e-01 
2.02 -7.056523868e-01 
2.04 -9.903075093e-01 
2.06 -1.315641616e+00 
2.08 -1.644629658e+00 
2.10 -1.948220823e+00 
2.12 -2.211610285e+00 
2.14 -2.436923076e+00 
2.16 -2.632369200e+00 
2.18 -2.803386464e+00 
2.20 -2.952103177e+00 
2.22 -3.079175117e+00 
2.24 -3.186204933e+00 
2.26 -3.274602437e+00 
2.28 -3.345824588e+00 
2.30 -3.401416577e+00 
2.32 -3.442791473e+00 
2.34 -3.471336479e+00 
2.36 -3.488417744e+00 
2.38 -3.495342537e+00 
2.40 -3.493450520e+00 
2.42 -3.484258217e+00 
2.44 -3.469306902e+00 
2.46 -3.450134333e+00 
2.48 -3.428256804e+00 
2.50 -3.405187296e+00 
2.52 -3.382042570e+00 
2.54 -3.359500073e+00 
2.56 -3.338260059e+00 
2.58 -3.318989293e+00 
2.60 -3.302267323e+00 
2.62 -3.288488107e+00 
2.64 -3.277687841e+00 
2.66 -3.269442230e+00 
2.68 -3.262719574e+00 
2.70 -3.254799104e+00 
2.72 -3.241271386e+00 
2.74 -3.219673753e+00 
2.76 -3.189763128e+00 
2.78 -3.152479089e+00 
2.80 -3.108632158e+00 
2.82 -3.058109312e+00 
2.84 -2.999345269e+00 
2.86 -2.929220610e+00 
2.88 -2.843463459e+00 
2.90 -2.737226879e+00 
2.92 -2.605677598e+00 
2.94 -2.444540790e+00 
2.96 -2.250118155e+00 
2.98 -2.018988521e+00 
3.00 -1.747679151e+00 
3.02 -1.432910236e+00 
3.04 -1.078049711e+00 
3.06 -9.084095889e-01 
3.08 -8.784432057e-01 
3.10 -8.492489982e-01 
3.12 -8.207681707e-01 
3.14 -7.929751199e-01 
3.16 -7.658646903e-01 
3.18 -7.394372509e-01 
3.20 -7.137225501e-01 
3.22 -6.886750689e-01 
3.24 -6.641169837e-01 
3.26 -6.397493296e-01 
3.28 -6.151653562e-01 
3.30 -5.898979303e-01 
3.32 -5.635003321e-01 
3.34 -5.356440971e-01 
3.36 -5.062095694e-01 
3.38 -4.753264961e-01 
3.40 -4.433214845e-01 
3.42 -4.105957187e-01 
3.44 -3.776017919e-01 
3.46 -3.447738333e-01 
3.48 -3.124685311e-01 
3.50 -2.809366786e-01 
3.52 -2.503207622e-01 
3.54 -2.206706122e-01 
3.56 -1.919703089e-01 
3.58 -1.642183569e-01 
3.60 -1.374883005e-01 
3.62 -1.118604876e-01 
3.64 -8.740624792e-02 
3.66 -6.416304203e-02 
3.68 -4.215772452e-02 
3.70 -2.141515631e-02 
3.72 -1.958010073e-03 
3.74  1.619335083e-02 
3.76  3.302102278e-02 
3.78  4.850956643e-02 
3.80  6.264622931e-02 
3.82  7.542094230e-02 
3.84  8.682628221e-02 
3.86  9.686058645e-02 
3.88  1.055499359e-01 
3.90  1.129367013e-01 
3.92  1.190665566e-01 
3.94  1.239927516e-01 
3.96  1.277795058e-01 
3.98  1.304943885e-01 
4.00  1.322070933e-01 
4.02  1.329892981e-01 
4.04  1.329143186e-01 
4.06  1.320568553e-01 
4.08  1.304928414e-01 
4.10  1.282990439e-01 
4.12  1.255526411e-01 
4.14  1.223124231e-01 
4.16  1.186071559e-01 
4.18  1.144628855e-01 
4.20  1.099039629e-01 
4.22  1.049462841e-01 
4.24  9.960246308e-02 
4.26  9.388461081e-02 
4.28  8.780414027e-02 
4.30  8.137189849e-02 
4.32  7.459810803e-02 
4.34  6.749249637e-02 
4.36  6.006471652e-02 
4.38  5.232444826e-02 
4.40  4.428221306e-02 
4.42  3.594996381e-02 
4.44  2.734197623e-02 
4.46  1.847626815e-02 
4.48  9.375890960e-03 
4.50  7.059243343e-05 
4.52 -9.400530473e-03 
4.54 -1.898309683e-02 
4.56 -2.861363871e-02 
4.58 -3.821749015e-02 
4.60 -4.770770415e-02 
4.62 -5.698700816e-02 
4.64 -6.595193759e-02 
4.66 -7.449861518e-02 
4.68 -8.253007682e-02 
4.70 -8.996428420e-02 
4.72 -9.674121015e-02 
4.74 -1.028278406e-01 
4.76 -1.082203052e-01 
4.78 -1.129489426e-01 
4.80 -1.170659787e-01 
4.82 -1.206196386e-01 
4.84 -1.236616397e-01 
4.86 -1.262425271e-01 
4.88 -1.284059018e-01 
4.90 -1.301842437e-01 
4.92 -1.315969585e-01 
4.94 -1.326499330e-01 
4.96 -1.333363998e-01 
4.98 -1.336386022e-01 
5.00 -1.335300140e-01 
5.02 -1.329778026e-01 
5.04 -1.319466209e-01 
5.06 -1.304119338e-01 
5.08 -1.283566846e-01 
5.10 -1.257648817e-01 
5.12 -1.226222932e-01 
5.14 -1.189174546e-01 
5.16 -1.146429674e-01 
5.18 -1.097971515e-01 
5.20 -1.043858160e-01 
5.22 -9.842698877e-02 
5.24 -9.196542514e-02 
5.26 -8.506525414e-02 
5.28 -7.780681195e-02 
5.30 -7.028764279e-02 
5.32 -6.262202977e-02 
5.34 -5.493896865e-02 
5.36 -4.737788254e-02 
5.38 -4.008255456e-02 
5.40 -3.319281056e-02 
5.42 -2.683546314e-02 
5.44 -2.111518700e-02 
5.46 -1.610686822e-02 
5.48 -1.185066566e-02 
5.50 -8.350643552e-03 
5.52 -5.576980996e-03 
5.54 -3.469667183e-03 
5.56 -1.943408712e-03 
5.58 -9.037065502e-04 
5.60 -2.505058435e-04 
5.62  1.126700133e-04 
5.64  2.723181003e-04 
5.66  3.015026933e-04 
5.68  2.582181033e-04 
5.70  1.854280550e-04 
5.72  1.120230902e-04 
5.74  5.443761531e-05 
5.76  1.877136824e-05 
5.78  3.127994684e-06 
5.80 -8.613793094e-10 
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