# 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 = Fe2Mn
# 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  2.389223734e+02 
0.98  2.187644578e+02 
1.00  2.006508859e+02 
1.02  1.841646782e+02 
1.04  1.688170787e+02 
1.06  1.550454654e+02 
1.08  1.424550562e+02 
1.10  1.309148507e+02 
1.12  1.201875767e+02 
1.14  1.102723539e+02 
1.16  1.012778921e+02 
1.18  9.300369515e+01 
1.20  8.560850958e+01 
1.22  7.860496682e+01 
1.24  7.207568919e+01 
1.26  6.618035105e+01 
1.28  6.071297722e+01 
1.30  5.572860372e+01 
1.32  5.101256105e+01 
1.34  4.684097053e+01 
1.36  4.281803037e+01 
1.38  3.913075315e+01 
1.40  3.571083815e+01 
1.42  3.255742876e+01 
1.44  2.979223962e+01 
1.46  2.726853763e+01 
1.48  2.475988716e+01 
1.50  2.244626111e+01 
1.52  2.037704311e+01 
1.54  1.850225168e+01 
1.56  1.667022076e+01 
1.58  1.500972935e+01 
1.60  1.344938648e+01 
1.62  1.201106547e+01 
1.64  1.068547300e+01 
1.66  9.526324283e+00 
1.68  8.444609827e+00 
1.70  7.398375788e+00 
1.72  6.435547161e+00 
1.74  5.632328684e+00 
1.76  4.810393590e+00 
1.78  4.055261408e+00 
1.80  3.361960374e+00 
1.82  2.809360814e+00 
1.84  2.218953826e+00 
1.86  1.778024082e+00 
1.88  1.274587223e+00 
1.90  8.145358209e-01 
1.92  3.946461211e-01 
1.94  5.413742004e-02 
1.96 -2.976929752e-01 
1.98 -6.173769346e-01 
2.00 -9.073120693e-01 
2.02 -1.169720853e+00 
2.04 -1.406663989e+00 
2.06 -1.620052688e+00 
2.08 -1.811659934e+00 
2.10 -1.938242528e+00 
2.12 -2.070097405e+00 
2.14 -2.210883013e+00 
2.16 -2.335396268e+00 
2.18 -2.444889241e+00 
2.20 -2.540524521e+00 
2.22 -2.623381707e+00 
2.24 -2.610017682e+00 
2.26 -2.676408715e+00 
2.28 -2.732373635e+00 
2.30 -2.778747857e+00 
2.32 -2.816307303e+00 
2.34 -2.845772622e+00 
2.36 -2.867813082e+00 
2.38 -2.883050191e+00 
2.40 -2.892061042e+00 
2.42 -2.895381427e+00 
2.44 -2.826328309e+00 
2.46 -2.824178345e+00 
2.48 -2.817431265e+00 
2.50 -2.806503713e+00 
2.52 -2.741138954e+00 
2.54 -2.726301832e+00 
2.56 -2.708145309e+00 
2.58 -2.686991721e+00 
2.60 -2.663139911e+00 
2.62 -2.636866834e+00 
2.64 -2.608429050e+00 
2.66 -2.578064123e+00 
2.68 -2.545991911e+00 
2.70 -2.512415782e+00 
2.72 -2.477523739e+00 
2.74 -2.420153318e+00 
2.76 -2.384415305e+00 
2.78 -2.347767112e+00 
2.80 -2.310349619e+00 
2.82 -2.272292671e+00 
2.84 -2.233715836e+00 
2.86 -2.194729107e+00 
2.88 -2.155433566e+00 
2.90 -2.115921993e+00 
2.92 -2.076279448e+00 
2.94 -2.036583797e+00 
2.96 -1.996906221e+00 
2.98 -1.957311678e+00 
3.00 -1.917859342e+00 
3.02 -1.878603005e+00 
3.04 -1.839591465e+00 
3.06 -1.800868874e+00 
3.08 -1.762475074e+00 
3.10 -1.724445901e+00 
3.12 -1.686813482e+00 
3.14 -1.649606495e+00 
3.16 -1.591042520e+00 
3.18 -1.555888613e+00 
3.20 -1.521169793e+00 
3.22 -1.486906286e+00 
3.24 -1.453115831e+00 
3.26 -1.419813856e+00 
3.28 -1.387013660e+00 
3.30 -1.302501237e+00 
3.32 -1.273361994e+00 
3.34 -1.244621789e+00 
3.36 -1.216293419e+00 
3.38 -1.188387939e+00 
3.40 -1.160914790e+00 
3.42 -1.133881917e+00 
3.44 -1.107295889e+00 
3.46 -1.081161997e+00 
3.48 -1.055484359e+00 
3.50 -1.030266010e+00 
3.52 -1.005508987e+00 
3.54 -9.812144117e-01 
3.56 -9.573825667e-01 
3.58 -9.340129631e-01 
3.60 -9.111044078e-01 
3.62 -8.886550645e-01 
3.64 -8.666625108e-01 
3.66 -8.451237912e-01 
3.68 -8.240354672e-01 
3.70 -8.033936629e-01 
3.72 -7.831941084e-01 
3.74 -7.634321799e-01 
3.76 -7.441029365e-01 
3.78 -7.252011552e-01 
3.80 -7.067213629e-01 
3.82 -6.886578662e-01 
3.84 -6.710047792e-01 
3.86 -6.096682297e-01 
3.88 -5.947016215e-01 
3.90 -5.800467091e-01 
3.92 -5.657004537e-01 
3.94 -5.516595945e-01 
3.96 -5.379206721e-01 
3.98 -5.244800494e-01 
4.00 -5.113339315e-01 
4.02 -4.984783848e-01 
4.04 -4.859093534e-01 
4.06 -4.736226758e-01 
4.08 -4.616140994e-01 
4.10 -4.498792946e-01 
4.12 -4.384138673e-01 
4.14 -4.272133711e-01 
4.16 -4.162733179e-01 
4.18 -4.055891885e-01 
4.20 -3.951564418e-01 
4.22 -3.849705233e-01 
4.24 -3.750268733e-01 
4.26 -3.653209341e-01 
4.28 -3.558481569e-01 
4.30 -3.466040079e-01 
4.32 -3.375839738e-01 
4.34 -3.287835673e-01 
4.36 -3.201983316e-01 
4.38 -3.118238445e-01 
4.40 -3.036557228e-01 
4.42 -2.956896254e-01 
4.44 -2.879212565e-01 
4.46 -2.803463687e-01 
4.48 -2.729607650e-01 
4.50 -2.657603018e-01 
4.52 -2.587408902e-01 
4.54 -2.518984982e-01 
4.56 -2.452291521e-01 
4.58 -2.387289375e-01 
4.60 -2.323940009e-01 
4.62 -2.262205504e-01 
4.64 -2.202048563e-01 
4.66 -2.143432520e-01 
4.68 -2.086321344e-01 
4.70 -2.030679638e-01 
4.72 -1.976472649e-01 
4.74 -1.923666262e-01 
4.76 -1.872227002e-01 
4.78 -1.822122035e-01 
4.80 -1.773319161e-01 
4.82 -1.725786819e-01 
4.84 -1.679494075e-01 
4.86 -1.634410624e-01 
4.88 -1.590506781e-01 
4.90 -1.547753479e-01 
4.92 -1.506122262e-01 
4.94 -1.465585276e-01 
4.96 -1.426115268e-01 
4.98 -1.387685573e-01 
5.00 -1.350270110e-01 
5.02 -1.313843373e-01 
5.04 -1.278380426e-01 
5.06 -1.243856888e-01 
5.08 -1.210248934e-01 
5.10 -1.177533277e-01 
5.12 -1.145687167e-01 
5.14 -1.114688377e-01 
5.16 -1.084515200e-01 
5.18 -1.055146431e-01 
5.20 -1.026561369e-01 
5.22 -9.987397978e-02 
5.24 -9.716619851e-02 
5.26 -9.453086683e-02 
5.28 -9.196610481e-02 
5.30 -8.947007784e-02 
5.32 -8.704099579e-02 
5.34 -8.467711211e-02 
5.36 -8.237672293e-02 
5.38 -8.013816621e-02 
5.40 -7.795982088e-02 
5.42 -7.584010594e-02 
5.44 -7.377747965e-02 
5.46 -5.507791022e-02 
5.48 -5.362930842e-02 
5.50 -5.221823347e-02 
5.52 -5.084374384e-02 
5.54 -4.950491997e-02 
5.56 -4.820086381e-02 
5.58 -4.693069847e-02 
5.60 -4.569356776e-02 
5.62 -4.448863577e-02 
5.64 -4.331508652e-02 
5.66 -4.217212348e-02 
5.68 -4.105896923e-02 
5.70 -3.997486505e-02 
5.72 -3.891907051e-02 
5.74 -3.789086311e-02 
5.76 -3.688953788e-02 
5.78 -3.591440701e-02 
5.80 -3.496479949e-02 
5.82 -3.404006071e-02 
5.84 -3.313955217e-02 
5.86 -3.226265103e-02 
5.88 -3.140874985e-02 
5.90 -3.057725618e-02 
5.92 -2.976759228e-02 
5.94 -2.897919472e-02 
5.96 -2.821151412e-02 
5.98 -2.746401479e-02 
6.00 -2.673617444e-02