# 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 = Mn2Ni
# 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  2.243469010e+02 
0.98  2.054299253e+02 
1.00  1.884135074e+02 
1.02  1.728917207e+02 
1.04  1.585052502e+02 
1.06  1.455695981e+02 
1.08  1.337397978e+02 
1.10  1.229048841e+02 
1.12  1.128490756e+02 
1.14  1.035658851e+02 
1.16  9.514394182e+01 
1.18  8.738735808e+01 
1.20  8.042603351e+01 
1.22  7.386411504e+01 
1.24  6.775825471e+01 
1.26  6.222585423e+01 
1.28  5.711467911e+01 
1.30  5.244016253e+01 
1.32  4.803344987e+01 
1.34  4.409880286e+01 
1.36  4.034360938e+01 
1.38  3.689899547e+01 
1.40  3.370651947e+01 
1.42  3.076259769e+01 
1.44  2.817987981e+01 
1.46  2.580159207e+01 
1.48  2.346106810e+01 
1.50  2.130223883e+01 
1.52  1.935197561e+01 
1.54  1.760340195e+01 
1.56  1.589488243e+01 
1.58  1.434248145e+01 
1.60  1.288705933e+01 
1.62  1.154513467e+01 
1.64  1.030805964e+01 
1.66  9.207439133e+00 
1.68  8.198706384e+00 
1.70  7.222944540e+00 
1.72  6.324616220e+00 
1.74  5.564580652e+00 
1.76  4.797870921e+00 
1.78  4.093113410e+00 
1.80  3.445697345e+00 
1.82  2.904491781e+00 
1.84  2.354512644e+00 
1.86  1.942954712e+00 
1.88  1.473243323e+00 
1.90  1.043644502e+00 
1.92  6.511792578e-01 
1.94  3.272244823e-01 
1.96 -1.947058448e-03 
1.98 -3.014161444e-01 
2.00 -5.733958456e-01 
2.02 -8.199373921e-01 
2.04 -1.042942546e+00 
2.06 -1.244174955e+00 
2.08 -1.425270581e+00 
2.10 -1.546105903e+00 
2.12 -1.671934649e+00 
2.14 -1.806086099e+00 
2.16 -1.925174258e+00 
2.18 -2.030355005e+00 
2.20 -2.122701511e+00 
2.22 -2.203210259e+00 
2.24 -2.204506081e+00 
2.26 -2.269111393e+00 
2.28 -2.324087904e+00 
2.30 -2.370204201e+00 
2.32 -2.408174063e+00 
2.34 -2.438660345e+00 
2.36 -2.462278583e+00 
2.38 -2.479600331e+00 
2.40 -2.491156259e+00 
2.42 -2.497439014e+00 
2.44 -2.456135448e+00 
2.46 -2.456121254e+00 
2.48 -2.451912137e+00 
2.50 -2.443886692e+00 
2.52 -2.385442529e+00 
2.54 -2.373920024e+00 
2.56 -2.359355289e+00 
2.58 -2.342041679e+00 
2.60 -2.322251120e+00 
2.62 -2.300235585e+00 
2.64 -2.276228457e+00 
2.66 -2.250445809e+00 
2.68 -2.223087587e+00 
2.70 -2.194338722e+00 
2.72 -2.164370152e+00 
2.74 -2.116079665e+00 
2.76 -2.085185025e+00 
2.78 -2.053445022e+00 
2.80 -2.020987466e+00 
2.82 -1.987930149e+00 
2.84 -1.954381526e+00 
2.86 -1.920441369e+00 
2.88 -1.886201357e+00 
2.90 -1.851745643e+00 
2.92 -1.817151375e+00 
2.94 -1.782489183e+00 
2.96 -1.747823633e+00 
2.98 -1.713213655e+00 
3.00 -1.678712938e+00 
3.02 -1.644370300e+00 
3.04 -1.610230033e+00 
3.06 -1.576332226e+00 
3.08 -1.542713065e+00 
3.10 -1.509405117e+00 
3.12 -1.476437587e+00 
3.14 -1.443836566e+00 
3.16 -1.397751274e+00 
3.18 -1.366687334e+00 
3.20 -1.336012693e+00 
3.22 -1.305745168e+00 
3.24 -1.275900350e+00 
3.26 -1.246491778e+00 
3.28 -1.217531090e+00 
3.30 -1.140592913e+00 
3.32 -1.115014470e+00 
3.34 -1.089784535e+00 
3.36 -1.064914739e+00 
3.38 -1.040415142e+00 
3.40 -1.016294345e+00 
3.42 -9.925596049e-01 
3.44 -9.692169338e-01 
3.46 -9.462711954e-01 
3.48 -9.237261950e-01 
3.50 -9.015847623e-01 
3.52 -8.798488299e-01 
3.54 -8.585195062e-01 
3.56 -8.375971430e-01 
3.58 -8.170813997e-01 
3.60 -7.969713017e-01 
3.62 -7.772652962e-01 
3.64 -7.579613036e-01 
3.66 -7.390567653e-01 
3.68 -7.205486885e-01 
3.70 -7.024336877e-01 
3.72 -6.847080237e-01 
3.74 -6.673676392e-01 
3.76 -6.504081925e-01 
3.78 -6.338250889e-01 
3.80 -6.176135089e-01 
3.82 -6.017684358e-01 
3.84 -5.862846797e-01 
3.86 -5.354708783e-01 
3.88 -5.222450244e-01 
3.90 -5.092969346e-01 
3.92 -4.966238267e-01 
3.94 -4.842227231e-01 
3.96 -4.720904713e-01 
3.98 -4.602237631e-01 
4.00 -4.486191525e-01 
4.02 -4.372730720e-01 
4.04 -4.261818481e-01 
4.06 -4.153417157e-01 
4.08 -4.047488311e-01 
4.10 -3.943992847e-01 
4.12 -3.842891119e-01 
4.14 -3.744143042e-01 
4.16 -3.647708183e-01 
4.18 -3.553545858e-01 
4.20 -3.461615212e-01 
4.22 -3.371875294e-01 
4.24 -3.284285132e-01 
4.26 -3.198803792e-01 
4.28 -3.115390443e-01 
4.30 -3.034004410e-01 
4.32 -2.954605220e-01 
4.34 -2.877152653e-01 
4.36 -2.801606780e-01 
4.38 -2.727928001e-01 
4.40 -2.656077079e-01 
4.42 -2.586015173e-01 
4.44 -2.517703860e-01 
4.46 -2.451105167e-01 
4.48 -2.386181584e-01 
4.50 -2.322896094e-01 
4.52 -2.261212180e-01 
4.54 -2.201093846e-01 
4.56 -2.142505629e-01 
4.58 -2.085412609e-01 
4.60 -2.029780418e-01 
4.62 -1.975575249e-01 
4.64 -1.922763862e-01 
4.66 -1.871313587e-01 
4.68 -1.821192330e-01 
4.70 -1.772368574e-01 
4.72 -1.724811383e-01 
4.74 -1.678490395e-01 
4.76 -1.633375832e-01 
4.78 -1.589438489e-01 
4.80 -1.546649737e-01 
4.82 -1.504981519e-01 
4.84 -1.464406348e-01 
4.86 -1.424897297e-01 
4.88 -1.386428002e-01 
4.90 -1.348972653e-01 
4.92 -1.312505987e-01 
4.94 -1.277003286e-01 
4.96 -1.242440367e-01 
4.98 -1.208793577e-01 
5.00 -1.176039787e-01 
5.02 -1.144156382e-01 
5.04 -1.113121259e-01 
5.06 -1.082912812e-01 
5.08 -1.053509931e-01 
5.10 -1.024891991e-01 
5.12 -9.970388427e-02 
5.14 -9.699308092e-02 
5.16 -9.435486735e-02 
5.18 -9.178736723e-02 
5.20 -8.928874874e-02 
5.22 -8.685722379e-02 
5.24 -8.449104716e-02 
5.26 -8.218851568e-02 
5.28 -7.994796747e-02 
5.30 -7.776778106e-02 
5.32 -7.564637462e-02 
5.34 -7.358220516e-02 
5.36 -7.157376770e-02 
5.38 -6.961959452e-02 
5.40 -6.771825434e-02 
5.42 -6.586835159e-02 
5.44 -6.406852557e-02 
5.46 -5.169191912e-02 
5.48 -5.031793961e-02 
5.50 -4.897997478e-02 
5.52 -4.767710789e-02 
5.54 -4.640844403e-02 
5.56 -4.517310971e-02 
5.58 -4.397025243e-02 
5.60 -4.279904020e-02 
5.62 -4.165866120e-02 
5.64 -4.054832326e-02 
5.66 -3.946725353e-02 
5.68 -3.841469803e-02 
5.70 -3.738992125e-02 
5.72 -3.639220574e-02 
5.74 -3.542085174e-02 
5.76 -3.447517679e-02 
5.78 -3.355451530e-02 
5.80 -3.265821826e-02 
5.82 -3.178565277e-02 
5.84 -3.093620176e-02 
5.86 -3.010926358e-02 
5.88 -2.930425167e-02 
5.90 -2.852059420e-02 
5.92 -2.775773375e-02 
5.94 -2.701512694e-02 
5.96 -2.629224415e-02 
5.98 -2.558856916e-02 
6.00 -2.490359885e-02