# 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 = Co2Fe
# 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 -6.072907119e+02 
0.92 -5.639866842e+02 
0.94 -5.249073799e+02 
0.96 -4.895063367e+02 
0.98 -4.575375637e+02 
1.00 -4.287051138e+02 
1.02 -4.022787832e+02 
1.04 -3.775720825e+02 
1.06 -3.544372437e+02 
1.08 -3.328964130e+02 
1.10 -3.126553034e+02 
1.12 -2.933637679e+02 
1.14 -2.746958065e+02 
1.16 -2.563366305e+02 
1.18 -2.383883218e+02 
1.20 -2.212703824e+02 
1.22 -2.053793963e+02 
1.24 -1.910046659e+02 
1.26 -1.782560564e+02 
1.28 -1.669921130e+02 
1.30 -1.568699361e+02 
1.32 -1.476038056e+02 
1.34 -1.390247542e+02 
1.36 -1.310539562e+02 
1.38 -1.236030871e+02 
1.40 -1.165017342e+02 
1.42 -1.095505586e+02 
1.44 -1.026502229e+02 
1.46 -9.578100672e+01 
1.48 -8.896346757e+01 
1.50 -8.224977092e+01 
1.52 -7.567233818e+01 
1.54 -6.921600415e+01 
1.56 -6.282823811e+01 
1.58 -5.647654415e+01 
1.60 -5.019392453e+01 
1.62 -4.405225859e+01 
1.64 -3.811980053e+01 
1.66 -3.242883846e+01 
1.68 -2.696173936e+01 
1.70 -2.182482533e+01 
1.72 -1.716275846e+01 
1.74 -1.283362407e+01 
1.76 -8.775012507e+00 
1.78 -5.406210492e+00 
1.80 -3.027741399e+00 
1.82 -1.456614655e+00 
1.84 -5.007232764e-01 
1.86  1.769021518e-02 
1.88  2.461978890e-01 
1.90  2.869354232e-01 
1.92  1.993968138e-01 
1.94  4.103611983e-02 
1.96 -1.422635004e-01 
1.98 -3.401781666e-01 
2.00 -5.712319042e-01 
2.02 -8.340426734e-01 
2.04 -1.107953747e+00 
2.06 -1.379803396e+00 
2.08 -1.643449734e+00 
2.10 -1.895877302e+00 
2.12 -2.134314797e+00 
2.14 -2.355276406e+00 
2.16 -2.556458579e+00 
2.18 -2.735982971e+00 
2.20 -2.892053434e+00 
2.22 -3.024301908e+00 
2.24 -3.135131365e+00 
2.26 -3.227424321e+00 
2.28 -3.303528528e+00 
2.30 -3.365316946e+00 
2.32 -3.414504189e+00 
2.34 -3.452752993e+00 
2.36 -3.481585065e+00 
2.38 -3.502225247e+00 
2.40 -3.515501813e+00 
2.42 -3.522063367e+00 
2.44 -3.522550566e+00 
2.46 -3.517564272e+00 
2.48 -3.507726416e+00 
2.50 -3.493721517e+00 
2.52 -3.475889140e+00 
2.54 -3.454125166e+00 
2.56 -3.428322183e+00 
2.58 -3.398432750e+00 
2.60 -3.364599090e+00 
2.62 -3.327055801e+00 
2.64 -3.286113586e+00 
2.66 -3.242134709e+00 
2.68 -3.195436956e+00 
2.70 -3.146350501e+00 
2.72 -3.095268712e+00 
2.74 -3.042684859e+00 
2.76 -2.989113429e+00 
2.78 -2.935138630e+00 
2.80 -2.881510477e+00 
2.82 -2.829088456e+00 
2.84 -2.778674815e+00 
2.86 -2.730823407e+00 
2.88 -2.685530756e+00 
2.90 -2.641940236e+00 
2.92 -2.598213806e+00 
2.94 -2.551642978e+00 
2.96 -2.499116370e+00 
2.98 -2.437516588e+00 
3.00 -2.363768741e+00 
3.02 -2.274754911e+00 
3.04 -2.167176514e+00 
3.06 -2.037617825e+00 
3.08 -1.882739537e+00 
3.10 -1.699310083e+00 
3.12 -1.484692906e+00 
3.14 -1.242257037e+00 
3.16 -1.167049760e+00 
3.18 -1.127534392e+00 
3.20 -1.090045989e+00 
3.22 -1.054606452e+00 
3.24 -1.021055083e+00 
3.26 -9.890865041e-01 
3.28 -9.582716249e-01 
3.30 -9.281040465e-01 
3.32 -8.980698580e-01 
3.34 -8.677286945e-01 
3.36 -8.368104639e-01 
3.38 -8.052550178e-01 
3.40 -7.731770694e-01 
3.42 -7.408154530e-01 
3.44 -7.084684477e-01 
3.46 -6.764275684e-01 
3.48 -6.449282759e-01 
3.50 -6.141234831e-01 
3.52 -5.840784545e-01 
3.54 -5.547806876e-01 
3.56 -5.261607511e-01 
3.58 -4.981539517e-01 
3.60 -4.707490455e-01 
3.62 -4.439398866e-01 
3.64 -4.177221811e-01 
3.66 -3.921122418e-01 
3.68 -3.671340033e-01 
3.70 -3.428106978e-01 
3.72 -3.191647313e-01 
3.74 -2.962177706e-01 
3.76 -2.739906723e-01 
3.78 -2.525035406e-01 
3.80 -2.317757891e-01 
3.82 -2.118260101e-01 
3.84 -1.926722209e-01 
3.86 -1.743289502e-01 
3.88 -1.567862683e-01 
3.90 -1.400208230e-01 
3.92 -1.240079169e-01 
3.94 -1.087325997e-01 
3.96 -9.419939162e-02 
3.98 -8.041545037e-02 
4.00 -6.738835485e-02 
4.02 -5.512616356e-02 
4.04 -4.363751975e-02 
4.06 -3.293137995e-02 
4.08 -2.301723409e-02 
4.10 -1.390493858e-02 
4.12 -5.604599449e-03 
4.14  1.879117230e-03 
4.16  8.550763025e-03 
4.18  1.441555721e-02 
4.20  1.947693330e-02 
4.22  2.373004992e-02 
4.24  2.716728014e-02 
4.26  2.978115059e-02 
4.28  3.156445771e-02 
4.30  3.251044431e-02 
4.32  3.261337073e-02 
4.34  3.186845700e-02 
4.36  3.027290869e-02 
4.38  2.782603879e-02 
4.40  2.453065874e-02 
4.42  2.039359060e-02 
4.44  1.542712710e-02 
4.46  9.650613915e-03 
4.48  3.091719618e-03 
4.50 -4.211472230e-03 
4.52 -1.220501140e-02 
4.54 -2.078842736e-02 
4.56 -2.983757150e-02 
4.58 -3.921736361e-02 
4.60 -4.878167653e-02 
4.62 -5.837632912e-02 
4.64 -6.784455197e-02 
4.66 -7.703327899e-02 
4.68 -8.580091881e-02 
4.70 -9.402509245e-02 
4.72 -1.016090037e-01 
4.74 -1.084851405e-01 
4.76 -1.146166673e-01 
4.78 -1.200009156e-01 
4.80 -1.246676251e-01 
4.82 -1.286690442e-01 
4.84 -1.320644696e-01 
4.86 -1.349110398e-01 
4.88 -1.372582243e-01 
4.90 -1.391438937e-01 
4.92 -1.405922682e-01 
4.94 -1.416138046e-01 
4.96 -1.422062047e-01 
4.98 -1.423559913e-01 
5.00 -1.420411361e-01 
5.02 -1.412332150e-01 
5.04 -1.399015323e-01 
5.06 -1.380240632e-01 
5.08 -1.355855663e-01 
5.10 -1.325726438e-01 
5.12 -1.289745735e-01 
5.14 -1.247844038e-01 
5.16 -1.200003207e-01 
5.18 -1.146273332e-01 
5.20 -1.086790073e-01 
5.22 -1.021822317e-01 
5.24 -9.519209457e-02 
5.26 -8.778340609e-02 
5.28 -8.004671721e-02 
5.30 -7.208874422e-02 
5.32 -6.403127601e-02 
5.34 -5.600857016e-02 
5.36 -4.816262534e-02 
5.38 -4.063692078e-02 
5.40 -3.356820109e-02 
5.42 -2.707785172e-02 
5.44 -2.126348850e-02 
5.46 -1.619216624e-02 
5.48 -1.189630637e-02 
5.50 -8.373025095e-03 
5.52 -5.585658659e-03 
5.54 -3.470830898e-03 
5.56 -1.943096306e-03 
5.58 -9.035555083e-04 
5.60 -2.504954990e-04 
5.62  1.126795580e-04 
5.64  2.723539972e-04 
5.66  3.015430740e-04 
5.68  2.582460909e-04 
5.70  1.854417967e-04 
5.72  1.120279032e-04 
5.74  5.443871757e-05 
5.76  1.877149682e-05 
5.78  3.127998221e-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