# 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 = Cr2Ni
# 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  9.550412880e+03 
0.90  8.710341494e+03 
0.92  7.949042700e+03 
0.94  7.258409183e+03 
0.96  6.630863180e+03 
0.98  6.059581142e+03 
1.00  5.538540334e+03 
1.02  5.062531785e+03 
1.04  4.627107150e+03 
1.06  4.228344642e+03 
1.08  3.862507813e+03 
1.10  3.526614342e+03 
1.12  3.217959966e+03 
1.14  2.933944402e+03 
1.16  2.672334299e+03 
1.18  2.431055270e+03 
1.20  2.208159747e+03 
1.22  2.001970107e+03 
1.24  1.811133226e+03 
1.26  1.634386361e+03 
1.28  1.470550510e+03 
1.30  1.318471592e+03 
1.32  1.177250973e+03 
1.34  1.046127644e+03 
1.36  9.242598812e+02 
1.38  8.109063322e+02 
1.40  7.054064468e+02 
1.42  6.071841522e+02 
1.44  5.157555949e+02 
1.46  4.306246400e+02 
1.48  3.521983194e+02 
1.50  2.836998642e+02 
1.52  2.242809805e+02 
1.54  1.766846161e+02 
1.56  1.393860005e+02 
1.58  1.101155585e+02 
1.60  8.712822182e+01 
1.62  6.904046183e+01 
1.64  5.476375456e+01 
1.66  4.346722612e+01 
1.68  3.450775253e+01 
1.70  2.737853409e+01 
1.72  2.168150613e+01 
1.74  1.710415719e+01 
1.76  1.340538376e+01 
1.78  1.040496057e+01 
1.80  7.963896578e+00 
1.82  5.974104638e+00 
1.84  4.349741362e+00 
1.86  3.021726865e+00 
1.88  1.935885411e+00 
1.90  1.048961252e+00 
1.92  3.255983146e-01 
1.94 -2.635675837e-01 
1.96 -7.434386454e-01 
1.98 -1.136308933e+00 
2.00 -1.461660882e+00 
2.02 -1.735016827e+00 
2.04 -1.965553844e+00 
2.06 -2.159874745e+00 
2.08 -2.324026147e+00 
2.10 -2.463430555e+00 
2.12 -2.582565790e+00 
2.14 -2.685088980e+00 
2.16 -2.773753016e+00 
2.18 -2.850903229e+00 
2.20 -2.918224011e+00 
2.22 -2.976834941e+00 
2.24 -3.027724505e+00 
2.26 -3.071978604e+00 
2.28 -3.110901527e+00 
2.30 -3.145805187e+00 
2.32 -3.177515064e+00 
2.34 -3.205984522e+00 
2.36 -3.231146426e+00 
2.38 -3.252981889e+00 
2.40 -3.271160201e+00 
2.42 -3.285280252e+00 
2.44 -3.294984273e+00 
2.46 -3.299845465e+00 
2.48 -3.299392834e+00 
2.50 -3.293145085e+00 
2.52 -3.280570494e+00 
2.54 -3.261132656e+00 
2.56 -3.234388516e+00 
2.58 -3.200467385e+00 
2.60 -3.159785078e+00 
2.62 -3.112998618e+00 
2.64 -3.060814605e+00 
2.66 -3.003972226e+00 
2.68 -2.943236326e+00 
2.70 -2.879411601e+00 
2.72 -2.813329959e+00 
2.74 -2.745789533e+00 
2.76 -2.677517081e+00 
2.78 -2.609211032e+00 
2.80 -2.541608029e+00 
2.82 -2.475407392e+00 
2.84 -2.411126761e+00 
2.86 -2.349228386e+00 
2.88 -2.290091704e+00 
2.90 -2.234019893e+00 
2.92 -2.181099189e+00 
2.94 -2.131300565e+00 
2.96 -2.084569910e+00 
2.98 -2.040738898e+00 
3.00 -1.999485430e+00 
3.02 -1.960462945e+00 
3.04 -1.923328572e+00 
3.06 -1.887741502e+00 
3.08 -1.853359369e+00 
3.10 -1.819837591e+00 
3.12 -1.786828568e+00 
3.14 -1.753980593e+00 
3.16 -1.720936509e+00 
3.18 -1.687407147e+00 
3.20 -1.653321199e+00 
3.22 -1.618642923e+00 
3.24 -1.583349775e+00 
3.26 -1.547479763e+00 
3.28 -1.511140667e+00 
3.30 -1.474544084e+00 
3.32 -1.437991979e+00 
3.34 -1.401781971e+00 
3.36 -1.366093499e+00 
3.38 -1.330939417e+00 
3.40 -1.296269686e+00 
3.42 -1.262072179e+00 
3.44 -1.228403956e+00 
3.46 -1.195310333e+00 
3.48 -1.162785319e+00 
3.50 -1.130820130e+00 
3.52 -1.099405699e+00 
3.54 -1.068532717e+00 
3.56 -1.038191625e+00 
3.58 -1.008372638e+00 
3.60 -9.790657687e-01 
3.62 -9.502608361e-01 
3.64 -9.219474559e-01 
3.66 -8.941150584e-01 
3.68 -8.667529356e-01 
3.70 -8.398502831e-01 
3.72 -8.133973496e-01 
3.74 -7.873890081e-01 
3.76 -7.618210902e-01 
3.78 -7.366891097e-01 
3.80 -7.119888513e-01 
3.82 -6.877154763e-01 
3.84 -6.638647033e-01 
3.86 -6.404314887e-01 
3.88 -6.174114754e-01 
3.90 -5.947993957e-01 
3.92 -5.725908898e-01 
3.94 -5.508017763e-01 
3.96 -5.294831504e-01 
3.98 -5.086909754e-01 
4.00 -4.884802948e-01 
4.02 -4.689054092e-01 
4.04 -4.500227313e-01 
4.06 -4.318871944e-01 
4.08 -4.145526217e-01 
4.10 -3.980670353e-01 
4.12 -3.824357850e-01 
4.14 -3.676446837e-01 
4.16 -3.536771983e-01 
4.18 -3.405222010e-01 
4.20 -3.281682032e-01 
4.22 -3.166027643e-01 
4.24 -3.058054802e-01 
4.26 -2.957621961e-01 
4.28 -2.864608582e-01 
4.30 -2.778913048e-01 
4.32 -2.700439354e-01 
4.34 -2.629071849e-01 
4.36 -2.563851410e-01 
4.38 -2.504573851e-01 
4.40 -2.451619735e-01 
4.42 -2.404962514e-01 
4.44 -2.364034648e-01 
4.46 -2.328060133e-01 
4.48 -2.296328004e-01 
4.50 -2.268442554e-01 
4.52 -2.244819934e-01 
4.54 -2.224969405e-01 
4.56 -2.207027420e-01 
4.58 -2.188548529e-01 
4.60 -2.167790705e-01 
4.62 -2.143896845e-01 
4.64 -2.116387478e-01 
4.66 -2.085524318e-01 
4.68 -2.052593536e-01 
4.70 -2.019783430e-01 
4.72 -1.989404791e-01 
4.74 -1.962925188e-01 
4.76 -1.941787397e-01 
4.78 -1.925240704e-01 
4.80 -1.911011290e-01 
4.82 -1.896995548e-01 
4.84 -1.881587483e-01 
4.86 -1.863753306e-01 
4.88 -1.842838529e-01 
4.90 -1.818497384e-01 
4.92 -1.790714473e-01 
4.94 -1.759530087e-01 
4.96 -1.725010875e-01 
4.98 -1.687238377e-01 
5.00 -1.646298395e-01 
5.02 -1.602270798e-01 
5.04 -1.555219323e-01 
5.06 -1.504989878e-01 
5.08 -1.451661888e-01 
5.10 -1.395546310e-01 
5.12 -1.336841270e-01 
5.14 -1.275634463e-01 
5.16 -1.211904378e-01 
5.18 -1.145522134e-01 
5.20 -1.076257174e-01 
5.22 -1.003792357e-01 
5.24 -9.277574731e-02 
5.26 -8.477945347e-02 
5.28 -7.636720754e-02 
5.30 -6.754648666e-02 
5.32 -5.838015162e-02 
5.34 -4.901439243e-02 
5.36 -3.969927975e-02 
5.38 -3.077935540e-02 
5.40 -2.264963216e-02 
5.42 -1.567734787e-02 
5.44 -1.010638479e-02 
5.46 -5.995126056e-03 
5.48 -3.217755723e-03 
5.50 -1.521373268e-03 
5.52 -6.046099374e-04 
5.54 -1.843241308e-04 
5.56 -3.494070724e-05 
5.58 -2.091820898e-06 
5.60 -1.190016635e-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