# 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 = Cr2Mn
# 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  3.441759314e+03 
0.90  3.126284806e+03 
0.92  2.840784577e+03 
0.94  2.582243771e+03 
0.96  2.347770572e+03 
0.98  2.134743530e+03 
1.00  1.940847658e+03 
1.02  1.764105243e+03 
1.04  1.602759605e+03 
1.06  1.455139227e+03 
1.08  1.319857133e+03 
1.10  1.195775491e+03 
1.12  1.081881259e+03 
1.14  9.772414011e+02 
1.16  8.810082112e+02 
1.18  7.923304316e+02 
1.20  7.104485096e+02 
1.22  6.347034530e+02 
1.24  5.644915343e+02 
1.26  4.993855727e+02 
1.28  4.390433727e+02 
1.30  3.830657656e+02 
1.32  3.311114195e+02 
1.34  2.828576498e+02 
1.36  2.380067710e+02 
1.38  1.965561325e+02 
1.40  1.620337559e+02 
1.42  1.342900669e+02 
1.44  1.118417470e+02 
1.46  9.353322499e+01 
1.48  7.849129699e+01 
1.50  6.605886330e+01 
1.52  5.571870538e+01 
1.54  4.706443927e+01 
1.56  3.978513480e+01 
1.58  3.364037985e+01 
1.60  2.843342321e+01 
1.62  2.400169040e+01 
1.64  2.021625713e+01 
1.66  1.697323452e+01 
1.68  1.418661495e+01 
1.70  1.178594921e+01 
1.72  9.712491299e+00 
1.74  7.916131180e+00 
1.76  6.358683771e+00 
1.78  5.013563350e+00 
1.80  3.857124305e+00 
1.82  2.867529989e+00 
1.84  2.025012685e+00 
1.86  1.311185481e+00 
1.88  7.090050822e-01 
1.90  2.030490598e-01 
1.92 -2.200720813e-01 
1.94 -5.732064960e-01 
1.96 -8.687281003e-01 
1.98 -1.118542935e+00 
2.00 -1.334076580e+00 
2.02 -1.525023487e+00 
2.04 -1.695804076e+00 
2.06 -1.849130473e+00 
2.08 -1.987343767e+00 
2.10 -2.112552457e+00 
2.12 -2.226394240e+00 
2.14 -2.329342027e+00 
2.16 -2.421242473e+00 
2.18 -2.502013118e+00 
2.20 -2.571239989e+00 
2.22 -2.628149903e+00 
2.24 -2.672332708e+00 
2.26 -2.705057952e+00 
2.28 -2.728234631e+00 
2.30 -2.743794987e+00 
2.32 -2.753685122e+00 
2.34 -2.759877299e+00 
2.36 -2.763620932e+00 
2.38 -2.764851553e+00 
2.40 -2.763073457e+00 
2.42 -2.757718493e+00 
2.44 -2.748233929e+00 
2.46 -2.734025257e+00 
2.48 -2.714910569e+00 
2.50 -2.691131379e+00 
2.52 -2.662947493e+00 
2.54 -2.630620416e+00 
2.56 -2.594404395e+00 
2.58 -2.554412143e+00 
2.60 -2.510724007e+00 
2.62 -2.463694205e+00 
2.64 -2.413744779e+00 
2.66 -2.361328628e+00 
2.68 -2.306922956e+00 
2.70 -2.251044149e+00 
2.72 -2.194236276e+00 
2.74 -2.136994573e+00 
2.76 -2.079714662e+00 
2.78 -2.022758166e+00 
2.80 -1.966507743e+00 
2.82 -1.911366523e+00 
2.84 -1.857684375e+00 
2.86 -1.805787676e+00 
2.88 -1.755984486e+00 
2.90 -1.708553028e+00 
2.92 -1.663554220e+00 
2.94 -1.620910013e+00 
2.96 -1.580499727e+00 
2.98 -1.542143506e+00 
3.00 -1.505657824e+00 
3.02 -1.470859515e+00 
3.04 -1.437565627e+00 
3.06 -1.405593228e+00 
3.08 -1.374757084e+00 
3.10 -1.344803308e+00 
3.12 -1.315394882e+00 
3.14 -1.286188083e+00 
3.16 -1.256836490e+00 
3.18 -1.227064882e+00 
3.20 -1.196819293e+00 
3.22 -1.166083846e+00 
3.24 -1.134842717e+00 
3.26 -1.103092964e+00 
3.28 -1.070869434e+00 
3.30 -1.038272735e+00 
3.32 -1.005465320e+00 
3.34 -9.726233037e-01 
3.36 -9.398711789e-01 
3.38 -9.072304450e-01 
3.40 -8.746784365e-01 
3.42 -8.422126441e-01 
3.44 -8.098750559e-01 
3.46 -7.777279648e-01 
3.48 -7.458250731e-01 
3.50 -7.142199773e-01 
3.52 -6.829668785e-01 
3.54 -6.521205892e-01 
3.56 -6.217364736e-01 
3.58 -5.918704633e-01 
3.60 -5.625789412e-01 
3.62 -5.339183663e-01 
3.64 -5.059450006e-01 
3.66 -4.787164791e-01 
3.68 -4.522878075e-01 
3.70 -4.267148380e-01 
3.72 -4.020526199e-01 
3.74 -3.783613460e-01 
3.76 -3.556928128e-01 
3.78 -3.341106185e-01 
3.80 -3.136486172e-01 
3.82 -2.943285683e-01 
3.84 -2.761677599e-01 
3.86 -2.591624128e-01 
3.88 -2.431538660e-01 
3.90 -2.282002364e-01 
3.92 -2.143786159e-01 
3.94 -2.017048944e-01 
3.96 -1.901567269e-01 
3.98 -1.796891626e-01 
4.00 -1.702542383e-01 
4.02 -1.618770538e-01 
4.04 -1.544552393e-01 
4.06 -1.478797018e-01 
4.08 -1.420717038e-01 
4.10 -1.369690425e-01 
4.12 -1.324845864e-01 
4.14 -1.285297634e-01 
4.16 -1.250282002e-01 
4.18 -1.219172495e-01 
4.20 -1.191423787e-01 
4.22 -1.166535538e-01 
4.24 -1.144042655e-01 
4.26 -1.123498216e-01 
4.28 -1.104255932e-01 
4.30 -1.085989535e-01 
4.32 -1.068625683e-01 
4.34 -1.051978540e-01 
4.36 -1.035752719e-01 
4.38 -1.019572666e-01 
4.40 -1.002983494e-01 
4.42 -9.854524745e-02 
4.44 -9.663653459e-02 
4.46 -9.450091186e-02 
4.48 -9.206489443e-02 
4.50 -8.928318114e-02 
4.52 -8.612669738e-02 
4.54 -8.256853364e-02 
4.56 -7.858528602e-02 
4.58 -7.415069277e-02 
4.60 -6.928457202e-02 
4.62 -6.408078003e-02 
4.64 -5.871502060e-02 
4.66 -5.345121572e-02 
4.68 -4.860644119e-02 
4.70 -4.447007209e-02 
4.72 -4.121143598e-02 
4.74 -3.883233533e-02 
4.76 -3.720565140e-02 
4.78 -3.611759950e-02 
4.80 -3.534074085e-02 
4.82 -3.470175274e-02 
4.84 -3.409477440e-02 
4.86 -3.347608604e-02 
4.88 -3.283705365e-02 
4.90 -3.217235621e-02 
4.92 -3.147812955e-02 
4.94 -3.075179682e-02 
4.96 -2.999172955e-02 
4.98 -2.919694747e-02 
5.00 -2.836684714e-02 
5.02 -2.750094940e-02 
5.04 -2.659865577e-02 
5.06 -2.565456939e-02 
5.08 -2.466897936e-02 
5.10 -2.364783428e-02 
5.12 -2.259477777e-02 
5.14 -2.151123601e-02 
5.16 -2.039647788e-02 
5.18 -1.924767912e-02 
5.20 -1.806004668e-02 
5.22 -1.682710009e-02 
5.24 -1.554126636e-02 
5.26 -1.419502188e-02 
5.28 -1.278288213e-02 
5.30 -1.130452485e-02 
5.32 -9.769084808e-03 
5.34 -8.199976837e-03 
5.36 -6.638425531e-03 
5.38 -5.142711394e-03 
5.40 -3.780366058e-03 
5.42 -2.613571931e-03 
5.44 -1.682927428e-03 
5.46 -9.973617319e-04 
5.48 -5.349342014e-04 
5.50 -2.528042856e-04 
5.52 -1.004414492e-04 
5.54 -3.061738898e-05 
5.56 -5.803622149e-06 
5.58 -3.474464303e-07 
5.60 -1.976587910e-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