# 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 = CrMn2
# 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  1.519380900e+03 
0.90  1.378358161e+03 
0.92  1.250646868e+03 
0.94  1.135052831e+03 
0.96  1.030386087e+03 
0.98  9.354710453e+02 
1.00  8.492011343e+02 
1.02  7.706223216e+02 
1.04  6.988675722e+02 
1.06  6.331445104e+02 
1.08  5.728351540e+02 
1.10  5.174023506e+02 
1.12  4.664308892e+02 
1.14  4.195518198e+02 
1.16  3.763711887e+02 
1.18  3.365016606e+02 
1.20  2.995757050e+02 
1.22  2.652842804e+02 
1.24  2.333583466e+02 
1.26  2.040222045e+02 
1.28  1.789159934e+02 
1.30  1.574680305e+02 
1.32  1.389440952e+02 
1.34  1.227804491e+02 
1.36  1.085534012e+02 
1.38  9.597062293e+01 
1.40  8.482037895e+01 
1.42  7.493852731e+01 
1.44  6.616524982e+01 
1.46  5.834348216e+01 
1.48  5.133594822e+01 
1.50  4.503295689e+01 
1.52  3.936267672e+01 
1.54  3.426866703e+01 
1.56  2.970780015e+01 
1.58  2.564164499e+01 
1.60  2.202697923e+01 
1.62  1.882036996e+01 
1.64  1.598252877e+01 
1.66  1.347475568e+01 
1.68  1.126149269e+01 
1.70  9.312635515e+00 
1.72  7.600010598e+00 
1.74  6.097151333e+00 
1.76  4.785632926e+00 
1.78  3.654145385e+00 
1.80  2.690197109e+00 
1.82  1.880327088e+00 
1.84  1.208615932e+00 
1.86  6.552370371e-01 
1.88  1.998474326e-01 
1.90 -1.763305622e-01 
1.92 -4.887472483e-01 
1.94 -7.489824631e-01 
1.96 -9.662781273e-01 
1.98 -1.149713512e+00 
2.00 -1.308167623e+00 
2.02 -1.449735973e+00 
2.04 -1.577953211e+00 
2.06 -1.694874148e+00 
2.08 -1.802349779e+00 
2.10 -1.902039782e+00 
2.12 -1.995215141e+00 
2.14 -2.081497732e+00 
2.16 -2.159664334e+00 
2.18 -2.228455434e+00 
2.20 -2.286337304e+00 
2.22 -2.331616224e+00 
2.24 -2.363357542e+00 
2.26 -2.383721686e+00 
2.28 -2.395737028e+00 
2.30 -2.402439163e+00 
2.32 -2.406865725e+00 
2.34 -2.412051143e+00 
2.36 -2.419500908e+00 
2.38 -2.427970303e+00 
2.40 -2.435898112e+00 
2.42 -2.441699243e+00 
2.44 -2.443790526e+00 
2.46 -2.440595189e+00 
2.48 -2.431416530e+00 
2.50 -2.416413707e+00 
2.52 -2.396036871e+00 
2.54 -2.370988818e+00 
2.56 -2.341982434e+00 
2.58 -2.309730179e+00 
2.60 -2.274944111e+00 
2.62 -2.238335914e+00 
2.64 -2.200622620e+00 
2.66 -2.162524643e+00 
2.68 -2.124413202e+00 
2.70 -2.086191458e+00 
2.72 -2.047728597e+00 
2.74 -2.008874322e+00 
2.76 -1.969445629e+00 
2.78 -1.929257891e+00 
2.80 -1.888134754e+00 
2.82 -1.845918590e+00 
2.84 -1.802656674e+00 
2.86 -1.758737134e+00 
2.88 -1.714557276e+00 
2.90 -1.670486674e+00 
2.92 -1.626786902e+00 
2.94 -1.583657437e+00 
2.96 -1.541304157e+00 
2.98 -1.499933624e+00 
3.00 -1.459634390e+00 
3.02 -1.420193511e+00 
3.04 -1.381350162e+00 
3.06 -1.342842945e+00 
3.08 -1.304407633e+00 
3.10 -1.265710916e+00 
3.12 -1.226336111e+00 
3.14 -1.185859837e+00 
3.16 -1.144003034e+00 
3.18 -1.101052715e+00 
3.20 -1.057525637e+00 
3.22 -1.013956051e+00 
3.24 -9.708762684e-01 
3.26 -9.288223787e-01 
3.28 -8.883458119e-01 
3.30 -8.500268102e-01 
3.32 -8.143657394e-01 
3.34 -7.813007459e-01 
3.36 -7.505438852e-01 
3.38 -7.217532998e-01 
3.40 -6.945623076e-01 
3.42 -6.686097889e-01 
3.44 -6.435534214e-01 
3.46 -6.190731743e-01 
3.48 -5.948838018e-01 
3.50 -5.709173366e-01 
3.52 -5.472051829e-01 
3.54 -5.237796781e-01 
3.56 -5.006733758e-01 
3.58 -4.779191790e-01 
3.60 -4.555503447e-01 
3.62 -4.336001605e-01 
3.64 -4.121028178e-01 
3.66 -3.910931001e-01 
3.68 -3.706095814e-01 
3.70 -3.504729510e-01 
3.72 -3.313305322e-01 
3.74 -3.139691253e-01 
3.76 -2.963660068e-01 
3.78 -2.770706392e-01 
3.80 -2.564248261e-01 
3.82 -2.364967092e-01 
3.84 -2.185742376e-01 
3.86 -2.030283964e-01 
3.88 -1.897739361e-01 
3.90 -1.785355252e-01 
3.92 -1.689885697e-01 
3.94 -1.608196312e-01 
3.96 -1.537411513e-01 
3.98 -1.474874652e-01 
4.00 -1.418061829e-01 
4.02 -1.364878239e-01 
4.04 -1.314764755e-01 
4.06 -1.267542149e-01 
4.08 -1.223049583e-01 
4.10 -1.181128770e-01 
4.12 -1.141623100e-01 
4.14 -1.104342097e-01 
4.16 -1.069106083e-01 
4.18 -1.035818049e-01 
4.20 -1.004397586e-01 
4.22 -9.747635783e-02 
4.24 -9.468339726e-02 
4.26 -9.204175200e-02 
4.28 -8.950625940e-02 
4.30 -8.708663602e-02 
4.32 -8.479392376e-02 
4.34 -8.263460080e-02 
4.36 -8.061134391e-02 
4.38 -7.872367733e-02 
4.40 -7.696852417e-02 
4.42 -7.534067418e-02 
4.44 -7.384124651e-02 
4.46 -7.248788508e-02 
4.48 -7.123241225e-02 
4.50 -7.002722722e-02 
4.52 -6.883508825e-02 
4.54 -6.763202705e-02 
4.56 -6.640158865e-02 
4.58 -6.513224179e-02 
4.60 -6.381644623e-02 
4.62 -6.244986721e-02 
4.64 -6.103071548e-02 
4.66 -5.955919445e-02 
4.68 -5.803703854e-02 
4.70 -5.646712882e-02 
4.72 -5.485317430e-02 
4.74 -5.319944849e-02 
4.76 -5.150313227e-02 
4.78 -4.977105251e-02 
4.80 -4.801995274e-02 
4.82 -4.626365089e-02 
4.84 -4.451344366e-02 
4.86 -4.277845384e-02 
4.88 -4.106592738e-02 
4.90 -3.938148613e-02 
4.92 -3.772934123e-02 
4.94 -3.611247123e-02 
4.96 -3.453276828e-02 
4.98 -3.299115494e-02 
5.00 -3.148767357e-02 
5.02 -3.002154954e-02 
5.04 -2.859122904e-02 
5.06 -2.719439196e-02 
5.08 -2.582794009e-02 
5.10 -2.448796179e-02 
5.12 -2.316967560e-02 
5.14 -2.186735929e-02 
5.16 -2.057427765e-02 
5.18 -1.928263538e-02 
5.20 -1.798360283e-02 
5.22 -1.666749725e-02 
5.24 -1.532425231e-02 
5.26 -1.394437216e-02 
5.28 -1.252062162e-02 
5.30 -1.105069353e-02 
5.32 -9.540899208e-03 
5.34 -8.010384970e-03 
5.36 -6.494413794e-03 
5.38 -5.044206139e-03 
5.40 -3.720762397e-03 
5.42 -2.582277281e-03 
5.44 -1.668958401e-03 
5.46 -9.921833042e-04 
5.48 -5.333893070e-04 
5.50 -2.524514948e-04 
5.52 -1.003850866e-04 
5.54 -3.061212283e-05 
5.56 -5.803432563e-06 
5.58 -3.474457505e-07 
5.60 -1.976586634e-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