# 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 = Cr2Fe
# 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  4.104769586e+04 
0.90  3.746352092e+04 
0.92  3.422528723e+04 
0.94  3.128365682e+04 
0.96  2.860697658e+04 
0.98  2.616833194e+04 
1.00  2.394070745e+04 
1.02  2.190045001e+04 
1.04  2.003057421e+04 
1.06  1.832109128e+04 
1.08  1.675710928e+04 
1.10  1.532082069e+04 
1.12  1.399851993e+04 
1.14  1.277926008e+04 
1.16  1.165427695e+04 
1.18  1.061702000e+04 
1.20  9.660444343e+03 
1.22  8.775927241e+03 
1.24  7.956844494e+03 
1.26  7.197223587e+03 
1.28  6.491340624e+03 
1.30  5.834258332e+03 
1.32  5.221826592e+03 
1.34  4.651807648e+03 
1.36  4.123841619e+03 
1.38  3.636484329e+03 
1.40  3.184770720e+03 
1.42  2.763868998e+03 
1.44  2.371088801e+03 
1.46  2.004437726e+03 
1.48  1.662947271e+03 
1.50  1.348352873e+03 
1.52  1.062469694e+03 
1.54  8.328684948e+02 
1.56  6.533404259e+02 
1.58  5.127805690e+02 
1.60  4.027230668e+02 
1.62  3.164879622e+02 
1.64  2.488300060e+02 
1.66  1.957841567e+02 
1.68  1.542171917e+02 
1.70  1.215663855e+02 
1.72  9.581917570e+01 
1.74  7.545248271e+01 
1.76  5.931257294e+01 
1.78  4.650923880e+01 
1.80  3.635008847e+01 
1.82  2.829414235e+01 
1.84  2.190483395e+01 
1.86  1.682967630e+01 
1.88  1.279472668e+01 
1.90  9.586847939e+00 
1.92  7.037056130e+00 
1.94  5.010237795e+00 
1.96  3.398252714e+00 
1.98  2.114116731e+00 
2.00  1.087543889e+00 
2.02  2.623220905e-01 
2.04 -4.040648864e-01 
2.06 -9.449007860e-01 
2.08 -1.386521273e+00 
2.10 -1.749698315e+00 
2.12 -2.050197726e+00 
2.14 -2.299978391e+00 
2.16 -2.507971631e+00 
2.18 -2.681263745e+00 
2.20 -2.825036493e+00 
2.22 -2.942780173e+00 
2.24 -3.036953826e+00 
2.26 -3.109547694e+00 
2.28 -3.162650917e+00 
2.30 -3.198979999e+00 
2.32 -3.222355147e+00 
2.34 -3.237518696e+00 
2.36 -3.248485508e+00 
2.38 -3.256797488e+00 
2.40 -3.261603412e+00 
2.42 -3.261420429e+00 
2.44 -3.255336669e+00 
2.46 -3.243221909e+00 
2.48 -3.225417503e+00 
2.50 -3.202308339e+00 
2.52 -3.174274376e+00 
2.54 -3.141695700e+00 
2.56 -3.104946316e+00 
2.58 -3.064261778e+00 
2.60 -3.019849619e+00 
2.62 -2.972196360e+00 
2.64 -2.921861916e+00 
2.66 -2.869442919e+00 
2.68 -2.815566491e+00 
2.70 -2.760886658e+00 
2.72 -2.705907167e+00 
2.74 -2.651000395e+00 
2.76 -2.596471332e+00 
2.78 -2.542594422e+00 
2.80 -2.489663574e+00 
2.82 -2.437991361e+00 
2.84 -2.387841682e+00 
2.86 -2.339469551e+00 
2.88 -2.293125635e+00 
2.90 -2.249033120e+00 
2.92 -2.207192839e+00 
2.94 -2.167462417e+00 
2.96 -2.129655875e+00 
2.98 -2.093528417e+00 
3.00 -2.058831871e+00 
3.02 -2.025318539e+00 
3.04 -1.992740502e+00 
3.06 -1.960842940e+00 
3.08 -1.929364913e+00 
3.10 -1.898044359e+00 
3.12 -1.866617704e+00 
3.14 -1.834819156e+00 
3.16 -1.802379871e+00 
3.18 -1.769101977e+00 
3.20 -1.735008792e+00 
3.22 -1.700161824e+00 
3.24 -1.664622612e+00 
3.26 -1.628464513e+00 
3.28 -1.591794739e+00 
3.30 -1.554777549e+00 
3.32 -1.517627187e+00 
3.34 -1.480564347e+00 
3.36 -1.443762375e+00 
3.38 -1.407301837e+00 
3.40 -1.371201380e+00 
3.42 -1.335468616e+00 
3.44 -1.300144416e+00 
3.46 -1.265249610e+00 
3.48 -1.230764125e+00 
3.50 -1.196660881e+00 
3.52 -1.162905980e+00 
3.54 -1.129457101e+00 
3.56 -1.096261492e+00 
3.58 -1.063253658e+00 
3.60 -1.030352799e+00 
3.62 -9.974603338e-01 
3.64 -9.644582271e-01 
3.66 -9.312094992e-01 
3.68 -8.975633251e-01 
3.70 -8.633685132e-01 
3.72 -8.285017912e-01 
3.74 -7.929263150e-01 
3.76 -7.567588762e-01 
3.78 -7.203216550e-01 
3.80 -6.841841047e-01 
3.82 -6.491376456e-01 
3.84 -6.160604594e-01 
3.86 -5.856822864e-01 
3.88 -5.584487098e-01 
3.90 -5.340857984e-01 
3.92 -5.124009683e-01 
3.94 -4.930259181e-01 
3.96 -4.754167119e-01 
3.98 -4.591523404e-01 
4.00 -4.440142276e-01 
4.02 -4.300233561e-01 
4.04 -4.171082130e-01 
4.06 -4.051845024e-01 
4.08 -3.941920381e-01 
4.10 -3.840679717e-01 
4.12 -3.747222437e-01 
4.14 -3.660631180e-01 
4.16 -3.580094904e-01 
4.18 -3.504907041e-01 
4.20 -3.434416954e-01 
4.22 -3.368010411e-01 
4.24 -3.305122716e-01 
4.26 -3.245207363e-01 
4.28 -3.187493239e-01 
4.30 -3.131548479e-01 
4.32 -3.077202958e-01 
4.34 -3.024170605e-01 
4.36 -2.972014904e-01 
4.38 -2.920252230e-01 
4.40 -2.868331214e-01 
4.42 -2.815658603e-01 
4.44 -2.761675547e-01 
4.46 -2.705679676e-01 
4.48 -2.647036821e-01 
4.50 -2.585410204e-01 
4.52 -2.520608844e-01 
4.54 -2.452401979e-01 
4.56 -2.380574067e-01 
4.58 -2.304252409e-01 
4.60 -2.223508609e-01 
4.62 -2.139709572e-01 
4.64 -2.054948326e-01 
4.66 -1.972122805e-01 
4.68 -1.894598085e-01 
4.70 -1.825408804e-01 
4.72 -1.766345023e-01 
4.74 -1.717485370e-01 
4.76 -1.678090976e-01 
4.78 -1.645880810e-01 
4.80 -1.617748849e-01 
4.82 -1.591310120e-01 
4.84 -1.565002900e-01 
4.86 -1.538008807e-01 
4.88 -1.509959409e-01 
4.90 -1.480598939e-01 
4.92 -1.449748929e-01 
4.94 -1.417291993e-01 
4.96 -1.383155769e-01 
4.98 -1.347298707e-01 
5.00 -1.309697237e-01 
5.02 -1.270333839e-01 
5.04 -1.229185546e-01 
5.06 -1.186001951e-01 
5.08 -1.140803020e-01 
5.10 -1.093877883e-01 
5.12 -1.045406898e-01 
5.14 -9.954659539e-02 
5.16 -9.440294773e-02 
5.18 -8.909736029e-02 
5.20 -8.360821242e-02 
5.22 -7.790597294e-02 
5.24 -7.195598102e-02 
5.26 -6.572376932e-02 
5.28 -5.918432688e-02 
5.30 -5.233662535e-02 
5.32 -4.522357412e-02 
5.34 -3.795439105e-02 
5.36 -3.072089539e-02 
5.38 -2.379382071e-02 
5.40 -1.748636040e-02 
5.42 -1.208629911e-02 
5.44 -7.780862134e-03 
5.46 -4.610380037e-03 
5.48 -2.472451829e-03 
5.50 -1.168357724e-03 
5.52 -4.641778137e-04 
5.54 -1.414914751e-04 
5.56 -2.681994810e-05 
5.58 -1.605631673e-06 
5.60 -9.134276641e-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