# 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 = CoMn2
# 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  2.331241856e+02 
0.98  2.134980121e+02 
1.00  1.958307768e+02 
1.02  1.797179463e+02 
1.04  1.647940344e+02 
1.06  1.513631786e+02 
1.08  1.390795512e+02 
1.10  1.278293138e+02 
1.12  1.173948521e+02 
1.14  1.077654387e+02 
1.16  9.902302282e+01 
1.18  9.097269095e+01 
1.20  8.373865450e+01 
1.22  7.692785103e+01 
1.24  7.059408653e+01 
1.26  6.485042812e+01 
1.28  5.954365205e+01 
1.30  5.468816911e+01 
1.32  5.011635739e+01 
1.34  4.602787416e+01 
1.36  4.213163161e+01 
1.38  3.855616254e+01 
1.40  3.524290352e+01 
1.42  3.218713045e+01 
1.44  2.949734482e+01 
1.46  2.702039906e+01 
1.48  2.459137903e+01 
1.50  2.235049035e+01 
1.52  2.032411541e+01 
1.54  1.850254408e+01 
1.56  1.672868781e+01 
1.58  1.511516298e+01 
1.60  1.360348433e+01 
1.62  1.220932808e+01 
1.64  1.092375166e+01 
1.66  9.778088200e+00 
1.68  8.726340508e+00 
1.70  7.711805982e+00 
1.72  6.777462061e+00 
1.74  5.982571152e+00 
1.76  5.184882159e+00 
1.78  4.451347429e+00 
1.80  3.777200073e+00 
1.82  3.211164552e+00 
1.84  2.638122801e+00 
1.86  2.202768725e+00 
1.88  1.713322658e+00 
1.90  1.265401141e+00 
1.92  8.559262648e-01 
1.94  5.154709269e-01 
1.96  1.716922599e-01 
1.98 -1.413297516e-01 
2.00 -4.258817138e-01 
2.02 -6.840832106e-01 
2.04 -9.178995595e-01 
2.06 -1.129153520e+00 
2.08 -1.319536046e+00 
2.10 -1.450024138e+00 
2.12 -1.584344708e+00 
2.14 -1.725780547e+00 
2.16 -1.851607494e+00 
2.18 -1.963019719e+00 
2.20 -2.061126044e+00 
2.22 -2.146956144e+00 
2.24 -2.154590572e+00 
2.26 -2.223652099e+00 
2.28 -2.282736674e+00 
2.30 -2.332637740e+00 
2.32 -2.374092215e+00 
2.34 -2.407784502e+00 
2.36 -2.434350200e+00 
2.38 -2.454379549e+00 
2.40 -2.468420612e+00 
2.42 -2.476982240e+00 
2.44 -2.437766367e+00 
2.46 -2.439662730e+00 
2.48 -2.437200113e+00 
2.50 -2.430769283e+00 
2.52 -2.374980868e+00 
2.54 -2.364723607e+00 
2.56 -2.351306405e+00 
2.58 -2.335031683e+00 
2.60 -2.316179798e+00 
2.62 -2.295010555e+00 
2.64 -2.271764618e+00 
2.66 -2.246664822e+00 
2.68 -2.219917398e+00 
2.70 -2.191713106e+00 
2.72 -2.162228304e+00 
2.74 -2.114724839e+00 
2.76 -2.084190793e+00 
2.78 -2.052765229e+00 
2.80 -2.020579949e+00 
2.82 -1.987756443e+00 
2.84 -1.954406593e+00 
2.86 -1.920633336e+00 
2.88 -1.886531287e+00 
2.90 -1.852187308e+00 
2.92 -1.817681052e+00 
2.94 -1.783085463e+00 
2.96 -1.748467243e+00 
2.98 -1.713887291e+00 
3.00 -1.679401112e+00 
3.02 -1.645059196e+00 
3.04 -1.610907374e+00 
3.06 -1.576987149e+00 
3.08 -1.543336010e+00 
3.10 -1.509987713e+00 
3.12 -1.476972559e+00 
3.14 -1.444317642e+00 
3.16 -1.398173097e+00 
3.18 -1.367045382e+00 
3.20 -1.336303211e+00 
3.22 -1.305965094e+00 
3.24 -1.276047255e+00 
3.26 -1.246563806e+00 
3.28 -1.217526905e+00 
3.30 -1.141740862e+00 
3.32 -1.116039046e+00 
3.34 -1.090687138e+00 
3.36 -1.065697080e+00 
3.38 -1.041079209e+00 
3.40 -1.016842366e+00 
3.42 -9.929940188e-01 
3.44 -9.695403600e-01 
3.46 -9.464864079e-01 
3.48 -9.238360977e-01 
3.50 -9.015923674e-01 
3.52 -8.797572374e-01 
3.54 -8.583318854e-01 
3.56 -8.373167161e-01 
3.58 -8.167114261e-01 
3.60 -7.965150649e-01 
3.62 -7.767260908e-01 
3.64 -7.573424242e-01 
3.66 -7.383614965e-01 
3.68 -7.197802959e-01 
3.70 -7.015954095e-01 
3.72 -6.838030637e-01 
3.74 -6.663991606e-01 
3.76 -6.493793119e-01 
3.78 -6.327388716e-01 
3.80 -6.164729645e-01 
3.82 -6.005765143e-01 
3.84 -5.850442688e-01 
3.86 -5.349205985e-01 
3.88 -5.216281969e-01 
3.90 -5.086168979e-01 
3.92 -4.958838370e-01 
3.94 -4.834259528e-01 
3.96 -4.712400081e-01 
3.98 -4.593226094e-01 
4.00 -4.476702246e-01 
4.02 -4.362792004e-01 
4.04 -4.251457773e-01 
4.06 -4.142661045e-01 
4.08 -4.036362534e-01 
4.10 -3.932522298e-01 
4.12 -3.831099856e-01 
4.14 -3.732054297e-01 
4.16 -3.635344373e-01 
4.18 -3.540928599e-01 
4.20 -3.448765327e-01 
4.22 -3.358812832e-01 
4.24 -3.271029380e-01 
4.26 -3.185373292e-01 
4.28 -3.101803006e-01 
4.30 -3.020277132e-01 
4.32 -2.940754501e-01 
4.34 -2.863194210e-01 
4.36 -2.787555667e-01 
4.38 -2.713798626e-01 
4.40 -2.641883218e-01 
4.42 -2.571769990e-01 
4.44 -2.503419924e-01 
4.46 -2.436794466e-01 
4.48 -2.371855548e-01 
4.50 -2.308565604e-01 
4.52 -2.246887593e-01 
4.54 -2.186785006e-01 
4.56 -2.128221884e-01 
4.58 -2.071162828e-01 
4.60 -2.015573007e-01 
4.62 -1.961418167e-01 
4.64 -1.908664633e-01 
4.66 -1.857279320e-01 
4.68 -1.807229730e-01 
4.70 -1.758483958e-01 
4.72 -1.711010691e-01 
4.74 -1.664779211e-01 
4.76 -1.619759389e-01 
4.78 -1.575921686e-01 
4.80 -1.533237154e-01 
4.82 -1.491677426e-01 
4.84 -1.451214715e-01 
4.86 -1.411821814e-01 
4.88 -1.373472082e-01 
4.90 -1.336139447e-01 
4.92 -1.299798395e-01 
4.94 -1.264423966e-01 
4.96 -1.229991746e-01 
4.98 -1.196477862e-01 
5.00 -1.163858972e-01 
5.02 -1.132112261e-01 
5.04 -1.101215429e-01 
5.06 -1.071146688e-01 
5.08 -1.041884750e-01 
5.10 -1.013408823e-01 
5.12 -9.856985969e-02 
5.14 -9.587342424e-02 
5.16 -9.324963967e-02 
5.18 -9.069661582e-02 
5.20 -8.821250772e-02 
5.22 -8.579551477e-02 
5.24 -8.344387988e-02 
5.26 -8.115588863e-02 
5.28 -7.892986847e-02 
5.30 -7.676418783e-02 
5.32 -7.465725532e-02 
5.34 -7.260751891e-02 
5.36 -7.061346510e-02 
5.38 -6.867361812e-02 
5.40 -6.678653912e-02 
5.42 -6.495082537e-02 
5.44 -6.316510952e-02 
5.46 -5.080252808e-02 
5.48 -4.944248255e-02 
5.50 -4.811835515e-02 
5.52 -4.682922399e-02 
5.54 -4.557418936e-02 
5.56 -4.435237332e-02 
5.58 -4.316291921e-02 
5.60 -4.200499122e-02 
5.62 -4.087777397e-02 
5.64 -3.978047204e-02 
5.66 -3.871230958e-02 
5.68 -3.767252987e-02 
5.70 -3.666039491e-02 
5.72 -3.567518500e-02 
5.74 -3.471619834e-02 
5.76 -3.378275063e-02 
5.78 -3.287417469e-02 
5.80 -3.198982006e-02 
5.82 -3.112905262e-02 
5.84 -3.029125422e-02 
5.86 -2.947582231e-02 
5.88 -2.868216960e-02 
5.90 -2.790972366e-02 
5.92 -2.715792663e-02 
5.94 -2.642623482e-02 
5.96 -2.571411841e-02 
5.98 -2.502106115e-02 
6.00 -2.434655994e-02