# 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 = FeNi2
# 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 -5.286084591e+02 
0.92 -4.904665379e+02 
0.94 -4.564003163e+02 
0.96 -4.260374256e+02 
0.98 -3.982592674e+02 
1.00 -3.723283958e+02 
1.02 -3.479697833e+02 
1.04 -3.252329264e+02 
1.06 -3.042002313e+02 
1.08 -2.847836643e+02 
1.10 -2.668669943e+02 
1.12 -2.503757057e+02 
1.14 -2.350164278e+02 
1.16 -2.203335971e+02 
1.18 -2.060460808e+02 
1.20 -1.920989950e+02 
1.22 -1.787117589e+02 
1.24 -1.663487045e+02 
1.26 -1.553148451e+02 
1.28 -1.455354203e+02 
1.30 -1.366988079e+02 
1.32 -1.285876279e+02 
1.34 -1.210942192e+02 
1.36 -1.140694416e+02 
1.38 -1.073048458e+02 
1.40 -1.006396975e+02 
1.42 -9.401044799e+01 
1.44 -8.742380880e+01 
1.46 -8.090553371e+01 
1.48 -7.446627627e+01 
1.50 -6.810890137e+01 
1.52 -6.181526486e+01 
1.54 -5.555387188e+01 
1.56 -4.933697124e+01 
1.58 -4.325662557e+01 
1.60 -3.744173055e+01 
1.62 -3.196215451e+01 
1.64 -2.680780815e+01 
1.66 -2.194804908e+01 
1.68 -1.761710355e+01 
1.70 -1.380158587e+01 
1.72 -1.035461330e+01 
1.74 -7.205263909e+00 
1.76 -4.699813308e+00 
1.78 -2.890754790e+00 
1.80 -1.663230736e+00 
1.82 -8.939300823e-01 
1.84 -4.601609796e-01 
1.86 -2.554314834e-01 
1.88 -2.118526380e-01 
1.90 -2.840262893e-01 
1.92 -4.195308413e-01 
1.94 -5.786481581e-01 
1.96 -7.370135902e-01 
1.98 -8.858388146e-01 
2.00 -1.041390467e+00 
2.02 -1.219999847e+00 
2.04 -1.422862366e+00 
2.06 -1.640679805e+00 
2.08 -1.865719287e+00 
2.10 -2.091011799e+00 
2.12 -2.309740393e+00 
2.14 -2.515128343e+00 
2.16 -2.702664715e+00 
2.18 -2.870184206e+00 
2.20 -3.015765107e+00 
2.22 -3.138882854e+00 
2.24 -3.241716409e+00 
2.26 -3.327041866e+00 
2.28 -3.396997876e+00 
2.30 -3.453147670e+00 
2.32 -3.496897177e+00 
2.34 -3.529555797e+00 
2.36 -3.552328860e+00 
2.38 -3.566258053e+00 
2.40 -3.572132475e+00 
2.42 -3.570663301e+00 
2.44 -3.562634331e+00 
2.46 -3.548858388e+00 
2.48 -3.530186990e+00 
2.50 -3.507516998e+00 
2.52 -3.481415360e+00 
2.54 -3.452031426e+00 
2.56 -3.419470167e+00 
2.58 -3.383881163e+00 
2.60 -3.345569589e+00 
2.62 -3.304925187e+00 
2.64 -3.262402293e+00 
2.66 -3.218513387e+00 
2.68 -3.173687407e+00 
2.70 -3.128224924e+00 
2.72 -3.081835012e+00 
2.74 -3.033885125e+00 
2.76 -2.983659742e+00 
2.78 -2.930598046e+00 
2.80 -2.874551613e+00 
2.82 -2.815837140e+00 
2.84 -2.755134269e+00 
2.86 -2.692772629e+00 
2.88 -2.628719972e+00 
2.90 -2.562479919e+00 
2.92 -2.493254839e+00 
2.94 -2.419706721e+00 
2.96 -2.339994500e+00 
2.98 -2.252052590e+00 
3.00 -2.153730955e+00 
3.02 -2.042837790e+00 
3.04 -1.917117931e+00 
3.06 -1.774150896e+00 
3.08 -1.611267902e+00 
3.10 -1.425609971e+00 
3.12 -1.214478275e+00 
3.14 -9.796274969e-01 
3.16 -8.655390807e-01 
3.18 -8.178106849e-01 
3.20 -7.724412511e-01 
3.22 -7.293202219e-01 
3.24 -6.883147466e-01 
3.26 -6.492797196e-01 
3.28 -6.120615390e-01 
3.30 -5.765020287e-01 
3.32 -5.424433805e-01 
3.34 -5.097339389e-01 
3.36 -4.782506979e-01 
3.38 -4.478974226e-01 
3.40 -4.186062667e-01 
3.42 -3.903771692e-01 
3.44 -3.632207490e-01 
3.46 -3.371437084e-01 
3.48 -3.121476361e-01 
3.50 -2.882288230e-01 
3.52 -2.653788999e-01 
3.54 -2.435859425e-01 
3.56 -2.228357513e-01 
3.58 -2.030969196e-01 
3.60 -1.843105571e-01 
3.62 -1.664151066e-01 
3.64 -1.493546472e-01 
3.66 -1.331023189e-01 
3.68 -1.176412194e-01 
3.70 -1.029551328e-01 
3.72 -8.902860777e-02 
3.74 -7.584716290e-02 
3.76 -6.339724375e-02 
3.78 -5.166650094e-02 
3.80 -4.064365292e-02 
3.82 -3.031866213e-02 
3.84 -2.068281162e-02 
3.86 -1.172747261e-02 
3.88 -3.435101856e-03 
3.90  4.215563211e-03 
3.92  1.124409388e-02 
3.94  1.766860693e-02 
3.96  2.350582665e-02 
3.98  2.877111227e-02 
4.00  3.347853345e-02 
4.02  3.764099748e-02 
4.04  4.127041669e-02 
4.06  4.437774459e-02 
4.08  4.697322122e-02 
4.10  4.906638198e-02 
4.12  5.066639093e-02 
4.14  5.179191666e-02 
4.16  5.247730185e-02 
4.18  5.275811147e-02 
4.20  5.266885781e-02 
4.22  5.223854115e-02 
4.24  5.149439032e-02 
4.26  5.046379641e-02 
4.28  4.917427165e-02 
4.30  4.765358971e-02 
4.32  4.592966259e-02 
4.34  4.403054079e-02 
4.36  4.198434007e-02 
4.38  3.981899779e-02 
4.40  3.756212684e-02 
4.42  3.524064687e-02 
4.44  3.288031128e-02 
4.46  3.050528749e-02 
4.48  2.813733279e-02 
4.50  2.579518643e-02 
4.52  2.349365144e-02 
4.54  2.124213535e-02 
4.56  1.904291073e-02 
4.58  1.689193751e-02 
4.60  1.477964940e-02 
4.62  1.269187805e-02 
4.64  1.061166515e-02 
4.66  8.522115412e-03 
4.68  6.409738823e-03 
4.70  4.268182677e-03 
4.72  2.101542056e-03 
4.74 -7.327776485e-05 
4.76 -2.226008910e-03 
4.78 -4.318722776e-03 
4.80 -6.316378163e-03 
4.82 -8.197966615e-03 
4.84 -9.942586091e-03 
4.86 -1.152942385e-02 
4.88 -1.294068921e-02 
4.90 -1.416332639e-02 
4.92 -1.519009303e-02 
4.94 -1.601969810e-02 
4.96 -1.665653733e-02 
4.98 -1.710992014e-02 
5.00 -1.739316811e-02 
5.02 -1.752263654e-02 
5.04 -1.751567194e-02 
5.06 -1.737991121e-02 
5.08 -1.711725836e-02 
5.10 -1.673049969e-02 
5.12 -1.622359227e-02 
5.14 -1.560187466e-02 
5.16 -1.487228928e-02 
5.18 -1.404363104e-02 
5.20 -1.312671033e-02 
5.22 -1.213461391e-02 
5.24 -1.108335367e-02 
5.26 -9.991042846e-03 
5.28 -8.877317726e-03 
5.30 -7.762900826e-03 
5.32 -6.668908700e-03 
5.34 -5.616041788e-03 
5.36 -4.623598959e-03 
5.38 -3.708565389e-03 
5.40 -2.884640863e-03 
5.42 -2.161557356e-03 
5.44 -1.544620663e-03 
5.46 -1.034591352e-03 
5.48 -6.279036130e-04 
5.50 -3.172053459e-04 
5.52 -9.288583534e-05 
5.54  5.786304299e-05 
5.56  1.490583143e-04 
5.58  1.932125252e-04 
5.60  2.021920046e-04 
5.62  1.870344196e-04 
5.64  1.575529897e-04 
5.66  1.219250884e-04 
5.68  8.639557354e-05 
5.70  5.525637217e-05 
5.72  3.095622228e-05 
5.74  1.430841772e-05 
5.76  4.776342217e-06 
5.78  7.810422984e-07 
5.80 -4.306896549e-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