# 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 = Co2Ni
# 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 -4.493652360e+02 
0.92 -4.176328878e+02 
0.94 -3.885220492e+02 
0.96 -3.615157998e+02 
0.98 -3.370879382e+02 
1.00 -3.153532254e+02 
1.02 -2.956599538e+02 
1.04 -2.772667083e+02 
1.06 -2.599504101e+02 
1.08 -2.438244081e+02 
1.10 -2.286506922e+02 
1.12 -2.140529626e+02 
1.14 -1.998798337e+02 
1.16 -1.861253249e+02 
1.18 -1.730651431e+02 
1.20 -1.611126879e+02 
1.22 -1.504533119e+02 
1.24 -1.409433178e+02 
1.26 -1.323360182e+02 
1.28 -1.244389423e+02 
1.30 -1.170760365e+02 
1.32 -1.101053384e+02 
1.34 -1.034217326e+02 
1.36 -9.702233887e+01 
1.38 -9.096528535e+01 
1.40 -8.522205885e+01 
1.42 -7.965208436e+01 
1.44 -7.414591833e+01 
1.46 -6.864730601e+01 
1.48 -6.314928003e+01 
1.50 -5.768035705e+01 
1.52 -5.228579408e+01 
1.54 -4.699169043e+01 
1.56 -4.177005151e+01 
1.58 -3.655279877e+01 
1.60 -3.129827817e+01 
1.62 -2.603857855e+01 
1.64 -2.086507256e+01 
1.66 -1.586180630e+01 
1.68 -1.110474487e+01 
1.70 -7.247592564e+00 
1.72 -4.460646128e+00 
1.74 -2.515968102e+00 
1.76 -1.223895081e+00 
1.78 -4.188608199e-01 
1.80  3.761459796e-02 
1.82  2.577863137e-01 
1.84  3.332698266e-01 
1.86  3.331123176e-01 
1.88  2.745192937e-01 
1.90  1.342677294e-01 
1.92 -8.997298872e-02 
1.94 -3.724148210e-01 
1.96 -6.805343180e-01 
1.98 -9.892815091e-01 
2.00 -1.283175317e+00 
2.02 -1.554452252e+00 
2.04 -1.801949230e+00 
2.06 -2.028894800e+00 
2.08 -2.238645779e+00 
2.10 -2.433797404e+00 
2.12 -2.616517971e+00 
2.14 -2.787844889e+00 
2.16 -2.947382596e+00 
2.18 -3.093326944e+00 
2.20 -3.222236284e+00 
2.22 -3.331574939e+00 
2.24 -3.421630547e+00 
2.26 -3.493643685e+00 
2.28 -3.549253396e+00 
2.30 -3.590475369e+00 
2.32 -3.619659104e+00 
2.34 -3.638851027e+00 
2.36 -3.649712776e+00 
2.38 -3.653518240e+00 
2.40 -3.650996889e+00 
2.42 -3.642676160e+00 
2.44 -3.629106043e+00 
2.46 -3.610838566e+00 
2.48 -3.588546992e+00 
2.50 -3.562980199e+00 
2.52 -3.534298553e+00 
2.54 -3.502216783e+00 
2.56 -3.466394808e+00 
2.58 -3.426593773e+00 
2.60 -3.382913455e+00 
2.62 -3.335593509e+00 
2.64 -3.284952409e+00 
2.66 -3.231361659e+00 
2.68 -3.175145978e+00 
2.70 -3.116633849e+00 
2.72 -3.056138896e+00 
2.74 -2.993896414e+00 
2.76 -2.930222436e+00 
2.78 -2.865555411e+00 
2.80 -2.800456991e+00 
2.82 -2.735484535e+00 
2.84 -2.671037696e+00 
2.86 -2.607238049e+00 
2.88 -2.543850339e+00 
2.90 -2.480382961e+00 
2.92 -2.416421938e+00 
2.94 -2.351268199e+00 
2.96 -2.284168454e+00 
2.98 -2.214678122e+00 
3.00 -2.142654217e+00 
3.02 -2.068201530e+00 
3.04 -1.991614147e+00 
3.06 -1.913450634e+00 
3.08 -1.834480282e+00 
3.10 -1.755460569e+00 
3.12 -1.677194056e+00 
3.14 -1.600506155e+00 
3.16 -1.526195058e+00 
3.18 -1.454976844e+00 
3.20 -1.387353895e+00 
3.22 -1.323556447e+00 
3.24 -1.263633386e+00 
3.26 -1.207498753e+00 
3.28 -1.154950939e+00 
3.30 -1.105697194e+00 
3.32 -1.059383268e+00 
3.34 -1.015625867e+00 
3.36 -9.740736530e-01 
3.38 -9.344341944e-01 
3.40 -8.964963478e-01 
3.42 -8.602022874e-01 
3.44 -8.255465487e-01 
3.46 -7.925381451e-01 
3.48 -7.611822446e-01 
3.50 -7.314661679e-01 
3.52 -7.033522226e-01 
3.54 -6.767765278e-01 
3.56 -6.516537157e-01 
3.58 -6.278835818e-01 
3.60 -6.053597263e-01 
3.62 -5.839758192e-01 
3.64 -5.636284946e-01 
3.66 -5.442364391e-01 
3.68 -5.257266986e-01 
3.70 -5.080259140e-01 
3.72 -4.910599455e-01 
3.74 -4.747537731e-01 
3.76 -4.590312117e-01 
3.78 -4.438147418e-01 
3.80 -4.290254176e-01 
3.82 -4.145825922e-01 
3.84 -4.004039596e-01 
3.86 -3.864090358e-01 
3.88 -3.725479622e-01 
3.90 -3.587869962e-01 
3.92 -3.450924871e-01 
3.94 -3.314407716e-01 
3.96 -3.178273916e-01 
3.98 -3.042516439e-01 
4.00 -2.907143675e-01 
4.02 -2.772184063e-01 
4.04 -2.637686249e-01 
4.06 -2.503718291e-01 
4.08 -2.370370439e-01 
4.10 -2.237755289e-01 
4.12 -2.106005576e-01 
4.14 -1.975219505e-01 
4.16 -1.845423427e-01 
4.18 -1.716657299e-01 
4.20 -1.589037454e-01 
4.22 -1.462988228e-01 
4.24 -1.339051253e-01 
4.26 -1.217788422e-01 
4.28 -1.099779158e-01 
4.30 -9.856195497e-02 
4.32 -8.759150958e-02 
4.34 -7.712801983e-02 
4.36 -6.723270825e-02 
4.38 -5.796618158e-02 
4.40 -4.938467432e-02 
4.42 -4.155710103e-02 
4.44 -3.456602595e-02 
4.46 -2.845018794e-02 
4.48 -2.321641638e-02 
4.50 -1.885489968e-02 
4.52 -1.534660472e-02 
4.54 -1.263742979e-02 
4.56 -1.065485934e-02 
4.58 -9.318412081e-03 
4.60 -8.532222576e-03 
4.62 -8.181043679e-03 
4.64 -8.132789487e-03 
4.66 -8.247024328e-03 
4.68 -8.388725069e-03 
4.70 -8.442536238e-03 
4.72 -8.324421061e-03 
4.74 -7.988076709e-03 
4.76 -7.423937030e-03 
4.78 -6.644377263e-03 
4.80 -5.682647968e-03 
4.82 -4.597639649e-03 
4.84 -3.457737008e-03 
4.86 -2.330098644e-03 
4.88 -1.273646088e-03 
4.90 -3.342978743e-04 
4.92  4.572742871e-04 
4.94  1.085911268e-03 
4.96  1.561633597e-03 
4.98  1.956927588e-03 
5.00  2.340190665e-03 
5.02  2.759192765e-03 
5.04  3.239396201e-03 
5.06  3.775316777e-03 
5.08  4.338467084e-03 
5.10  4.890262320e-03 
5.12  5.388394238e-03 
5.14  5.792952813e-03 
5.16  6.072365980e-03 
5.18  6.208060018e-03 
5.20  6.197549123e-03 
5.22  6.056499306e-03 
5.24  5.821137587e-03 
5.26  5.536936431e-03 
5.28  5.248046030e-03 
5.30  4.990232921e-03 
5.32  4.785412302e-03 
5.34  4.638924919e-03 
5.36  4.540555403e-03 
5.38  4.468214196e-03 
5.40  4.393912581e-03 
5.42  4.290281186e-03 
5.44  4.136015127e-03 
5.46  3.919594968e-03 
5.48  3.640597422e-03 
5.50  3.309033812e-03 
5.52  2.943586444e-03 
5.54  2.563647744e-03 
5.56  2.180114566e-03 
5.58  1.804105626e-03 
5.60  1.447156580e-03 
5.62  1.119747303e-03 
5.64  8.302947651e-04 
5.66  5.847295239e-04 
5.68  3.859632883e-04 
5.70  2.339647258e-04 
5.72  1.259045891e-04 
5.74  5.650400989e-05 
5.76  1.852093827e-05 
5.78  3.002513616e-06 
5.80  3.744993791e-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