# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al
# implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1
# composition = CoCr2
# 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 2025-07-01

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  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  2.948420467e+02 
0.98  2.697535982e+02 
1.00  2.471472032e+02 
1.02  2.265518851e+02 
1.04  2.075164207e+02 
1.06  1.903646261e+02 
1.08  1.746880945e+02 
1.10  1.603418025e+02 
1.12  1.470657614e+02 
1.14  1.348333473e+02 
1.16  1.237201084e+02 
1.18  1.135009709e+02 
1.20  1.043032871e+02 
1.22  9.567362646e+01 
1.24  8.766611798e+01 
1.26  8.040088828e+01 
1.28  7.369373471e+01 
1.30  6.755993478e+01 
1.32  6.180488466e+01 
1.34  5.665010984e+01 
1.36  5.175671077e+01 
1.38  4.726877725e+01 
1.40  4.311692440e+01 
1.42  3.929216195e+01 
1.44  3.590864454e+01 
1.46  3.279954937e+01 
1.48  2.977425142e+01 
1.50  2.698687916e+01 
1.52  2.446748501e+01 
1.54  2.219427616e+01 
1.56  1.999842014e+01 
1.58  1.800123060e+01 
1.60  1.613579711e+01 
1.62  1.441812357e+01 
1.64  1.283684143e+01 
1.66  1.142844104e+01 
1.68  1.013322742e+01 
1.70  8.892560298e+00 
1.72  7.752160134e+00 
1.74  6.777114475e+00 
1.76  5.808015416e+00 
1.78  4.918803740e+00 
1.80  4.103454090e+00 
1.82  3.419579192e+00 
1.84  2.729837648e+00 
1.86  2.197197873e+00 
1.88  1.612048747e+00 
1.90  1.078122737e+00 
1.92  5.915539193e-01 
1.94  1.860095316e-01 
1.96 -2.195469331e-01 
1.98 -5.874123767e-01 
2.00 -9.204466650e-01 
2.02 -1.221298109e+00 
2.04 -1.492419730e+00 
2.06 -1.736084190e+00 
2.08 -1.954397499e+00 
2.10 -2.105052335e+00 
2.12 -2.257830834e+00 
2.14 -2.416427737e+00 
2.16 -2.556254644e+00 
2.18 -2.678786983e+00 
2.20 -2.785392954e+00 
2.22 -2.877341396e+00 
2.24 -2.881287728e+00 
2.26 -2.953016475e+00 
2.28 -3.012940865e+00 
2.30 -3.062031716e+00 
2.32 -3.101189298e+00 
2.34 -3.131248399e+00 
2.36 -3.152983021e+00 
2.38 -3.167110725e+00 
2.40 -3.174296650e+00 
2.42 -3.175157247e+00 
2.44 -3.119395800e+00 
2.46 -3.112834647e+00 
2.48 -3.101290750e+00 
2.50 -3.085235115e+00 
2.52 -3.015259404e+00 
2.54 -2.994823198e+00 
2.56 -2.970861724e+00 
2.58 -2.943735557e+00 
2.60 -2.913778181e+00 
2.62 -2.881297886e+00 
2.64 -2.846579529e+00 
2.66 -2.809886174e+00 
2.68 -2.771460621e+00 
2.70 -2.731526819e+00 
2.72 -2.690291196e+00 
2.74 -2.629106822e+00 
2.76 -2.586997295e+00 
2.78 -2.544038960e+00 
2.80 -2.500384136e+00 
2.82 -2.456172698e+00 
2.84 -2.411532961e+00 
2.86 -2.366582495e+00 
2.88 -2.321428887e+00 
2.90 -2.276170449e+00 
2.92 -2.230896887e+00 
2.94 -2.185689907e+00 
2.96 -2.140623798e+00 
2.98 -2.095765965e+00 
3.00 -2.051177427e+00 
3.02 -2.006913281e+00 
3.04 -1.963023140e+00 
3.06 -1.919551532e+00 
3.08 -1.876538278e+00 
3.10 -1.834018845e+00 
3.12 -1.792024669e+00 
3.14 -1.750583463e+00 
3.16 -1.693231727e+00 
3.18 -1.653866531e+00 
3.20 -1.615068818e+00 
3.22 -1.576856700e+00 
3.24 -1.539245659e+00 
3.26 -1.502248751e+00 
3.28 -1.465876803e+00 
3.30 -1.378686952e+00 
3.32 -1.346255520e+00 
3.34 -1.314332170e+00 
3.36 -1.282927527e+00 
3.38 -1.252050407e+00 
3.40 -1.221707956e+00 
3.42 -1.191905785e+00 
3.44 -1.162648091e+00 
3.46 -1.133937775e+00 
3.48 -1.105776549e+00 
3.50 -1.078165036e+00 
3.52 -1.051102862e+00 
3.54 -1.024588747e+00 
3.56 -9.986205826e-01 
3.58 -9.731955079e-01 
3.60 -9.483099806e-01 
3.62 -9.239598414e-01 
3.64 -9.001403751e-01 
3.66 -8.768463663e-01 
3.68 -8.540721522e-01 
3.70 -8.318116708e-01 
3.72 -8.100585058e-01 
3.74 -7.888059285e-01 
3.76 -7.680469361e-01 
3.78 -7.477742875e-01 
3.80 -7.279805365e-01 
3.82 -7.086580621e-01 
3.84 -6.897990966e-01 
3.86 -6.324182522e-01 
3.88 -6.161968568e-01 
3.90 -6.003381329e-01 
3.92 -5.848373534e-01 
3.94 -5.696896080e-01 
3.96 -5.548898271e-01 
3.98 -5.404328028e-01 
4.00 -5.263132090e-01 
4.02 -5.125256200e-01 
4.04 -4.990645276e-01 
4.06 -4.859243569e-01 
4.08 -4.730994808e-01 
4.10 -4.605842333e-01 
4.12 -4.483729226e-01 
4.14 -4.364598415e-01 
4.16 -4.248392786e-01 
4.18 -4.135055276e-01 
4.20 -4.024528962e-01 
4.22 -3.916757140e-01 
4.24 -3.811683401e-01 
4.26 -3.709251692e-01 
4.28 -3.609406385e-01 
4.30 -3.512092322e-01 
4.32 -3.417254873e-01 
4.34 -3.324839975e-01 
4.36 -3.234794173e-01 
4.38 -3.147064657e-01 
4.40 -3.061599292e-01 
4.42 -2.978346647e-01 
4.44 -2.897256017e-01 
4.46 -2.818277446e-01 
4.48 -2.741361746e-01 
4.50 -2.666460509e-01 
4.52 -2.593526123e-01 
4.54 -2.522511781e-01 
4.56 -2.453371490e-01 
4.58 -2.386060075e-01 
4.60 -2.320533189e-01 
4.62 -2.256747307e-01 
4.64 -2.194659737e-01 
4.66 -2.134228612e-01 
4.68 -2.075412891e-01 
4.70 -2.018172359e-01 
4.72 -1.962467617e-01 
4.74 -1.908260085e-01 
4.76 -1.855511989e-01 
4.78 -1.804186357e-01 
4.80 -1.754247014e-01 
4.82 -1.705658571e-01 
4.84 -1.658386416e-01 
4.86 -1.612396709e-01 
4.88 -1.567656367e-01 
4.90 -1.524133057e-01 
4.92 -1.481795186e-01 
4.94 -1.440611889e-01 
4.96 -1.400553016e-01 
4.98 -1.361589127e-01 
5.00 -1.323691472e-01 
5.02 -1.286831987e-01 
5.04 -1.250983279e-01 
5.06 -1.216118613e-01 
5.08 -1.182211901e-01 
5.10 -1.149237691e-01 
5.12 -1.117171156e-01 
5.14 -1.085988078e-01 
5.16 -1.055664838e-01 
5.18 -1.026178406e-01 
5.20 -9.975063273e-02 
5.22 -9.696267098e-02 
5.24 -9.425182139e-02 
5.26 -9.161600400e-02 
5.28 -8.905319170e-02 
5.30 -8.656140911e-02 
5.32 -8.413873142e-02 
5.34 -8.178328328e-02 
5.36 -7.949323770e-02 
5.38 -7.726681494e-02 
5.40 -7.510228146e-02 
5.42 -7.299794882e-02 
5.44 -7.095217268e-02 
5.46 -5.632843338e-02 
5.48 -5.479806593e-02 
5.50 -5.330876386e-02 
5.52 -5.185945340e-02 
5.54 -5.044908729e-02 
5.56 -4.907664419e-02 
5.58 -4.774112817e-02 
5.60 -4.644156814e-02 
5.62 -4.517701729e-02 
5.64 -4.394655257e-02 
5.66 -4.274927415e-02 
5.68 -4.158430491e-02 
5.70 -4.045078992e-02 
5.72 -3.934789592e-02 
5.74 -3.827481087e-02 
5.76 -3.723074341e-02 
5.78 -3.621492238e-02 
5.80 -3.522659641e-02 
5.82 -3.426503336e-02 
5.84 -3.332951997e-02 
5.86 -3.241936133e-02 
5.88 -3.153388047e-02 
5.90 -3.067241794e-02 
5.92 -2.983433139e-02 
5.94 -2.901899513e-02 
5.96 -2.822579976e-02 
5.98 -2.745415174e-02 
6.00 -2.670347302e-02