# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr
# implementation = 2011--Bonny-G--Fe-Ni-Cr--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 2022-05-24

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  5.438093485e+03 
0.90  4.979329738e+03 
0.92  4.564515424e+03 
0.94  4.187868757e+03 
0.96  3.845436593e+03 
0.98  3.533654253e+03 
1.00  3.249056589e+03 
1.02  2.988641123e+03 
1.04  2.750143698e+03 
1.06  2.532001506e+03 
1.08  2.332278043e+03 
1.10  2.148809688e+03 
1.12  1.979946645e+03 
1.14  1.824398117e+03 
1.16  1.681006082e+03 
1.18  1.548800857e+03 
1.20  1.426815111e+03 
1.22  1.313934852e+03 
1.24  1.209265473e+03 
1.26  1.112072867e+03 
1.28  1.021727906e+03 
1.30  9.376794784e+02 
1.32  8.594114865e+02 
1.34  7.866047170e+02 
1.36  7.191656198e+02 
1.38  6.568951968e+02 
1.40  5.992158689e+02 
1.42  5.455552813e+02 
1.44  4.955666565e+02 
1.46  4.489829195e+02 
1.48  4.055297134e+02 
1.50  3.649767084e+02 
1.52  3.271412798e+02 
1.54  2.918548170e+02 
1.56  2.589270858e+02 
1.58  2.281748652e+02 
1.60  1.994599533e+02 
1.62  1.726459619e+02 
1.64  1.475964532e+02 
1.66  1.242283710e+02 
1.68  1.025126383e+02 
1.70  8.279274771e+01 
1.72  6.503734538e+01 
1.74  5.058718931e+01 
1.76  3.918606347e+01 
1.78  3.018528206e+01 
1.80  2.308239940e+01 
1.82  1.748488345e+01 
1.84  1.307637233e+01 
1.86  9.603008800e+00 
1.88  6.867183754e+00 
1.90  4.713883355e+00 
1.92  3.019233858e+00 
1.94  1.683524052e+00 
1.96  6.271972596e-01 
1.98 -2.139046314e-01 
2.00 -8.918009350e-01 
2.02 -1.445622958e+00 
2.04 -1.901568367e+00 
2.06 -2.279061517e+00 
2.08 -2.593772558e+00 
2.10 -2.858158315e+00 
2.12 -3.081063905e+00 
2.14 -3.268204425e+00 
2.16 -3.423191333e+00 
2.18 -3.548847303e+00 
2.20 -3.648335207e+00 
2.22 -3.724382177e+00 
2.24 -3.779109788e+00 
2.26 -3.814309940e+00 
2.28 -3.831844845e+00 
2.30 -3.834422846e+00 
2.32 -3.826016830e+00 
2.34 -3.811406921e+00 
2.36 -3.794750283e+00 
2.38 -3.777787891e+00 
2.40 -3.759737888e+00 
2.42 -3.739228036e+00 
2.44 -3.715540275e+00 
2.46 -3.688812973e+00 
2.48 -3.659639977e+00 
2.50 -3.628287713e+00 
2.52 -3.594872853e+00 
2.54 -3.559528427e+00 
2.56 -3.522403226e+00 
2.58 -3.483659976e+00 
2.60 -3.443465248e+00 
2.62 -3.401920488e+00 
2.64 -3.359102061e+00 
2.66 -3.315185729e+00 
2.68 -3.270458507e+00 
2.70 -3.225299401e+00 
2.72 -3.180151574e+00 
2.74 -3.135294927e+00 
2.76 -3.090688220e+00 
2.78 -3.046216991e+00 
2.80 -3.001847263e+00 
2.82 -2.957613416e+00 
2.84 -2.913532363e+00 
2.86 -2.869615989e+00 
2.88 -2.825867243e+00 
2.90 -2.782277110e+00 
2.92 -2.738834509e+00 
2.94 -2.695534545e+00 
2.96 -2.652378751e+00 
2.98 -2.609370605e+00 
3.00 -2.566514339e+00 
3.02 -2.523815211e+00 
3.04 -2.481287498e+00 
3.06 -2.438951371e+00 
3.08 -2.396820968e+00 
3.10 -2.354858177e+00 
3.12 -2.312976071e+00 
3.14 -2.271080842e+00 
3.16 -2.229072635e+00 
3.18 -2.186843691e+00 
3.20 -2.144277019e+00 
3.22 -2.101247613e+00 
3.24 -2.057655123e+00 
3.26 -2.013498965e+00 
3.28 -1.968860789e+00 
3.30 -1.923935407e+00 
3.32 -1.879016299e+00 
3.34 -1.834369183e+00 
3.36 -1.790080527e+00 
3.38 -1.746042957e+00 
3.40 -1.702071922e+00 
3.42 -1.658018853e+00 
3.44 -1.613812140e+00 
3.46 -1.569475760e+00 
3.48 -1.525069535e+00 
3.50 -1.480642851e+00 
3.52 -1.436230922e+00 
3.54 -1.391851232e+00 
3.56 -1.347499178e+00 
3.58 -1.303142911e+00 
3.60 -1.258717577e+00 
3.62 -1.214119595e+00 
3.64 -1.169202409e+00 
3.66 -1.123776569e+00 
3.68 -1.077613473e+00 
3.70 -1.030464296e+00 
3.72 -9.821278971e-01 
3.74 -9.325483512e-01 
3.76 -8.819519437e-01 
3.78 -8.310025960e-01 
3.80 -7.809007356e-01 
3.82 -7.332544356e-01 
3.84 -6.898499348e-01 
3.86 -6.522327555e-01 
3.88 -6.212160791e-01 
3.90 -5.966480698e-01 
3.92 -5.775521349e-01 
3.94 -5.625640784e-01 
3.96 -5.503336804e-01 
3.98 -5.397727461e-01 
4.00 -5.302039941e-01 
4.02 -5.213332176e-01 
4.04 -5.130579474e-01 
4.06 -5.052909012e-01 
4.08 -4.978307421e-01 
4.10 -4.905382551e-01 
4.12 -4.834258318e-01 
4.14 -4.764802700e-01 
4.16 -4.696768546e-01 
4.18 -4.630327570e-01 
4.20 -4.565736684e-01 
4.22 -4.503189545e-01 
4.24 -4.443973961e-01 
4.26 -4.386861000e-01 
4.28 -4.329853459e-01 
4.30 -4.271434664e-01 
4.32 -4.210445716e-01 
4.34 -4.146005284e-01 
4.36 -4.077416924e-01 
4.38 -4.004114499e-01 
4.40 -3.925583059e-01 
4.42 -3.841290237e-01 
4.44 -3.750630450e-01 
4.46 -3.652825528e-01 
4.48 -3.546363034e-01 
4.50 -3.430535730e-01 
4.52 -3.305108019e-01 
4.54 -3.169424138e-01 
4.56 -3.022720505e-01 
4.58 -2.864612182e-01 
4.60 -2.695746610e-01 
4.62 -2.518556490e-01 
4.64 -2.338166448e-01 
4.66 -2.162536372e-01 
4.68 -2.001197615e-01 
4.70 -1.862537867e-01 
4.72 -1.750941708e-01 
4.74 -1.665809071e-01 
4.76 -1.602568264e-01 
4.78 -1.554902720e-01 
4.80 -1.516772950e-01 
4.82 -1.483549865e-01 
4.84 -1.451739975e-01 
4.86 -1.420085159e-01 
4.88 -1.388771197e-01 
4.90 -1.358090443e-01 
4.92 -1.328266483e-01 
4.94 -1.299465009e-01 
4.96 -1.271803442e-01 
4.98 -1.245359114e-01 
5.00 -1.220258545e-01 
5.02 -1.197083667e-01 
5.04 -1.175131844e-01 
5.06 -1.153530916e-01 
5.08 -1.131536346e-01 
5.10 -1.108492954e-01 
5.12 -1.083797290e-01 
5.14 -1.056859060e-01 
5.16 -1.027059973e-01 
5.18 -9.937085839e-02 
5.20 -9.559904388e-02 
5.22 -9.129149480e-02 
5.24 -8.632008188e-02 
5.26 -8.051299029e-02 
5.28 -7.383548175e-02 
5.30 -6.630851836e-02 
5.32 -5.801490386e-02 
5.34 -4.914029780e-02 
5.36 -4.000418364e-02 
5.38 -3.105470378e-02 
5.40 -2.280460024e-02 
5.42 -1.571493789e-02 
5.44 -1.007572919e-02 
5.46 -5.946045174e-03 
5.48 -3.178334978e-03 
5.50 -1.498591369e-03 
5.52 -5.946189138e-04 
5.54 -1.811437869e-04 
5.56 -3.432868105e-05 
5.58 -2.055059816e-06 
5.60 -1.165371656e-11 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
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