# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn
# implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--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 2024-11-27

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  4.245656624e+04 
0.90  3.869404426e+04 
0.92  3.529453757e+04 
0.94  3.220820033e+04 
0.96  2.940188917e+04 
0.98  2.684593002e+04 
1.00  2.451167578e+04 
1.02  2.237489116e+04 
1.04  2.041779952e+04 
1.06  1.862886621e+04 
1.08  1.699210270e+04 
1.10  1.548884714e+04 
1.12  1.410537032e+04 
1.14  1.283115988e+04 
1.16  1.165668101e+04 
1.18  1.057421096e+04 
1.20  9.576134246e+03 
1.22  8.653388997e+03 
1.24  7.798863022e+03 
1.26  7.006448037e+03 
1.28  6.270710763e+03 
1.30  5.586774788e+03 
1.32  4.950016030e+03 
1.34  4.357648368e+03 
1.36  3.809088780e+03 
1.38  3.302773358e+03 
1.40  2.833582766e+03 
1.42  2.396541312e+03 
1.44  1.988804266e+03 
1.46  1.610700325e+03 
1.48  1.269748684e+03 
1.50  9.890349718e+02 
1.52  7.710853782e+02 
1.54  6.016929231e+02 
1.56  4.697963943e+02 
1.58  3.669160389e+02 
1.60  2.866300975e+02 
1.62  2.239290481e+02 
1.64  1.749115002e+02 
1.66  1.366288462e+02 
1.68  1.067528453e+02 
1.70  8.338470053e+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  3.019233857e+00 
1.94  1.683524052e+00 
1.96  6.271972597e-01 
1.98 -2.139046315e-01 
2.00 -8.918009400e-01 
2.02 -1.445622959e+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 -2.438951372e+00 
3.08 -2.396820968e+00 
3.10 -2.354858178e+00 
3.12 -2.312976071e+00 
3.14 -2.271080843e+00 
3.16 -2.229072635e+00 
3.18 -2.186843692e+00 
3.20 -2.144277020e+00 
3.22 -2.101247613e+00 
3.24 -2.057655124e+00 
3.26 -2.013498966e+00 
3.28 -1.968860791e+00 
3.30 -1.923935410e+00 
3.32 -1.879016300e+00 
3.34 -1.834369185e+00 
3.36 -1.790080530e+00 
3.38 -1.746042961e+00 
3.40 -1.702071923e+00 
3.42 -1.658018859e+00 
3.44 -1.613812149e+00 
3.46 -1.569475765e+00 
3.48 -1.525069537e+00 
3.50 -1.480642850e+00 
3.52 -1.436230925e+00 
3.54 -1.391851239e+00 
3.56 -1.347499186e+00 
3.58 -1.303142918e+00 
3.60 -1.258717583e+00 
3.62 -1.214119598e+00 
3.64 -1.169202408e+00 
3.66 -1.123776563e+00 
3.68 -1.077613464e+00 
3.70 -1.030464295e+00 
3.72 -9.821279186e-01 
3.74 -9.325484433e-01 
3.76 -8.819521149e-01 
3.78 -8.310028932e-01 
3.80 -7.808993870e-01 
3.82 -7.332493490e-01 
3.84 -6.898398426e-01 
3.86 -6.522119556e-01 
3.88 -6.207956373e-01 
3.90 -5.956307939e-01 
3.92 -5.765827453e-01 
3.94 -5.621433587e-01 
3.96 -5.508140334e-01 
3.98 -5.415989854e-01 
4.00 -5.335604380e-01 
4.02 -5.261930992e-01 
4.04 -5.192215170e-01 
4.06 -5.124324111e-01 
4.08 -5.056531461e-01 
4.10 -4.987405583e-01 
4.12 -4.915765628e-01 
4.14 -4.840620895e-01 
4.16 -4.761189440e-01 
4.18 -4.677388574e-01 
4.20 -4.589436736e-01 
4.22 -4.497550952e-01 
4.24 -4.401500755e-01 
4.26 -4.302027653e-01 
4.28 -4.200161958e-01 
4.30 -4.096687789e-01 
4.32 -3.992198814e-01 
4.34 -3.887156382e-01 
4.36 -3.781876583e-01 
4.38 -3.676540654e-01 
4.40 -3.571107755e-01 
4.42 -3.465444364e-01 
4.44 -3.359363732e-01 
4.46 -3.252545828e-01 
4.48 -3.144532521e-01 
4.50 -3.034728129e-01 
4.52 -2.922090270e-01 
4.54 -2.804902223e-01 
4.56 -2.682759503e-01 
4.58 -2.555609832e-01 
4.60 -2.424035923e-01 
4.62 -2.289665743e-01 
4.64 -2.155658479e-01 
4.66 -2.026839002e-01 
4.68 -1.909050975e-01 
4.70 -1.807858835e-01 
4.72 -1.726893901e-01 
4.74 -1.665044041e-01 
4.76 -1.618513077e-01 
4.78 -1.582364282e-01 
4.80 -1.551905494e-01 
4.82 -1.523529550e-01 
4.84 -1.494967932e-01 
4.86 -1.465185806e-01 
4.88 -1.433943852e-01 
4.90 -1.401174387e-01 
4.92 -1.366850770e-01 
4.94 -1.330975735e-01 
4.96 -1.293570774e-01 
4.98 -1.254666623e-01 
5.00 -1.214262248e-01 
5.02 -1.172157229e-01 
5.04 -1.128625426e-01 
5.06 -1.083975988e-01 
5.08 -1.038429232e-01 
5.10 -9.921220575e-02 
5.12 -9.451114495e-02 
5.14 -8.973764677e-02 
5.16 -8.488194022e-02 
5.18 -7.992673597e-02 
5.20 -7.484765363e-02 
5.22 -6.961430496e-02 
5.24 -6.419265781e-02 
5.26 -5.854960631e-02 
5.28 -5.266093355e-02 
5.30 -4.652378345e-02 
5.32 -4.017377158e-02 
5.34 -3.370417519e-02 
5.36 -2.728000152e-02 
5.38 -2.113509684e-02 
5.40 -1.554120486e-02 
5.42 -1.074961970e-02 
5.44 -6.925541614e-03 
5.46 -4.106289707e-03 
5.48 -2.203220970e-03 
5.50 -1.041474438e-03 
5.52 -4.138446988e-04 
5.54 -1.261597554e-04 
5.56 -2.391453601e-05 
5.58 -1.431702954e-06 
5.60 -8.144818344e-12 
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