# 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 = CrMn2
# 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  2.535716226e+02 
0.98  2.323172813e+02 
1.00  2.131595560e+02 
1.02  1.956900970e+02 
1.04  1.795299809e+02 
1.06  1.649628411e+02 
1.08  1.516380779e+02 
1.10  1.394337950e+02 
1.12  1.281271213e+02 
1.14  1.176983790e+02 
1.16  1.082176618e+02 
1.18  9.948935646e+01 
1.20  9.162742140e+01 
1.22  8.424120517e+01 
1.24  7.737867053e+01 
1.26  7.114537013e+01 
1.28  6.538537452e+01 
1.30  6.011059631e+01 
1.32  5.515383278e+01 
1.34  5.070735184e+01 
1.36  4.648136398e+01 
1.38  4.259992657e+01 
1.40  3.900353001e+01 
1.42  3.568518448e+01 
1.44  3.274686888e+01 
1.46  3.004024250e+01 
1.48  2.740199902e+01 
1.50  2.496676616e+01 
1.52  2.275980402e+01 
1.54  2.076697025e+01 
1.56  1.883730540e+01 
1.58  1.707820823e+01 
1.60  1.543176089e+01 
1.62  1.391219201e+01 
1.64  1.250988167e+01 
1.66  1.125553850e+01 
1.68  1.010090606e+01 
1.70  8.992238847e+00 
1.72  7.970208770e+00 
1.74  7.091717434e+00 
1.76  6.218043544e+00 
1.78  5.413698618e+00 
1.80  4.673555926e+00 
1.82  4.046006498e+00 
1.84  3.415623140e+00 
1.86  2.923422497e+00 
1.88  2.384364037e+00 
1.90  1.890189651e+00 
1.92  1.437592377e+00 
1.94  1.055961889e+00 
1.96  6.747606333e-01 
1.98  3.268484663e-01 
2.00  9.767805979e-03 
2.02 -2.787600244e-01 
2.04 -5.408484307e-01 
2.06 -7.784580631e-01 
2.08 -9.934083125e-01 
2.10 -1.148292951e+00 
2.12 -1.304703958e+00 
2.14 -1.465898695e+00 
2.16 -1.610135282e+00 
2.18 -1.738698088e+00 
2.20 -1.852780056e+00 
2.22 -1.953489331e+00 
2.24 -1.976921161e+00 
2.26 -2.058775317e+00 
2.28 -2.129766589e+00 
2.30 -2.190747773e+00 
2.32 -2.242511181e+00 
2.34 -2.285792924e+00 
2.36 -2.321276877e+00 
2.38 -2.349598350e+00 
2.40 -2.371347492e+00 
2.42 -2.387072455e+00 
2.44 -2.354511878e+00 
2.46 -2.362589777e+00 
2.48 -2.365866954e+00 
2.50 -2.364764082e+00 
2.52 -2.315634071e+00 
2.54 -2.309879026e+00 
2.56 -2.300634137e+00 
2.58 -2.288224499e+00 
2.60 -2.272951637e+00 
2.62 -2.255095122e+00 
2.64 -2.234914068e+00 
2.66 -2.212648536e+00 
2.68 -2.188520837e+00 
2.70 -2.162736742e+00 
2.72 -2.135486617e+00 
2.74 -2.090534655e+00 
2.76 -2.061880232e+00 
2.78 -2.032186317e+00 
2.80 -2.001595313e+00 
2.82 -1.970238595e+00 
2.84 -1.938237265e+00 
2.86 -1.905702859e+00 
2.88 -1.872738001e+00 
2.90 -1.839437027e+00 
2.92 -1.805886550e+00 
2.94 -1.772165999e+00 
2.96 -1.738348118e+00 
2.98 -1.704499435e+00 
3.00 -1.670680693e+00 
3.02 -1.636947259e+00 
3.04 -1.603349503e+00 
3.06 -1.569933154e+00 
3.08 -1.536739624e+00 
3.10 -1.503806325e+00 
3.12 -1.471166953e+00 
3.14 -1.438851753e+00 
3.16 -1.393013793e+00 
3.18 -1.362162253e+00 
3.20 -1.331668369e+00 
3.22 -1.301552995e+00 
3.24 -1.271834529e+00 
3.26 -1.242529097e+00 
3.28 -1.213650721e+00 
3.30 -1.139759112e+00 
3.32 -1.114116384e+00 
3.34 -1.088810959e+00 
3.36 -1.063856109e+00 
3.38 -1.039263391e+00 
3.40 -1.015042772e+00 
3.42 -9.912027499e-01 
3.44 -9.677504667e-01 
3.46 -9.446918092e-01 
3.48 -9.220315085e-01 
3.50 -8.997732302e-01 
3.52 -8.779196595e-01 
3.54 -8.564725807e-01 
3.56 -8.354329505e-01 
3.58 -8.148009678e-01 
3.60 -7.945761374e-01 
3.62 -7.747573304e-01 
3.64 -7.553428400e-01 
3.66 -7.363304338e-01 
3.68 -7.177174019e-01 
3.70 -6.995006025e-01 
3.72 -6.816765041e-01 
3.74 -6.642412237e-01 
3.76 -6.471905644e-01 
3.78 -6.305200480e-01 
3.80 -6.142249471e-01 
3.82 -5.983003141e-01 
3.84 -5.827410077e-01 
3.86 -5.335943997e-01 
3.88 -5.202449574e-01 
3.90 -5.071788832e-01 
3.92 -4.943933521e-01 
3.94 -4.818853306e-01 
3.96 -4.696515989e-01 
3.98 -4.576887717e-01 
4.00 -4.459933164e-01 
4.02 -4.345615715e-01 
4.04 -4.233897626e-01 
4.06 -4.124740177e-01 
4.08 -4.018103816e-01 
4.10 -3.913948287e-01 
4.12 -3.812232751e-01 
4.14 -3.712915901e-01 
4.16 -3.615956063e-01 
4.18 -3.521311295e-01 
4.20 -3.428939470e-01 
4.22 -3.338798362e-01 
4.24 -3.250845719e-01 
4.26 -3.165039332e-01 
4.28 -3.081337096e-01 
4.30 -2.999697070e-01 
4.32 -2.920077529e-01 
4.34 -2.842437010e-01 
4.36 -2.766734359e-01 
4.38 -2.692928766e-01 
4.40 -2.620979803e-01 
4.42 -2.550847458e-01 
4.44 -2.482492161e-01 
4.46 -2.415874809e-01 
4.48 -2.350956791e-01 
4.50 -2.287700010e-01 
4.52 -2.226066895e-01 
4.54 -2.166020421e-01 
4.56 -2.107524121e-01 
4.58 -2.050542099e-01 
4.60 -1.995039035e-01 
4.62 -1.940980198e-01 
4.64 -1.888331448e-01 
4.66 -1.837059246e-01 
4.68 -1.787130650e-01 
4.70 -1.738513325e-01 
4.72 -1.691175539e-01 
4.74 -1.645086165e-01 
4.76 -1.600214679e-01 
4.78 -1.556531161e-01 
4.80 -1.514006287e-01 
4.82 -1.472611331e-01 
4.84 -1.432318161e-01 
4.86 -1.393099230e-01 
4.88 -1.354927574e-01 
4.90 -1.317776805e-01 
4.92 -1.281621108e-01 
4.94 -1.246435231e-01 
4.96 -1.212194478e-01 
4.98 -1.178874707e-01 
5.00 -1.146452315e-01 
5.02 -1.114904237e-01 
5.04 -1.084207935e-01 
5.06 -1.054341389e-01 
5.08 -1.025283092e-01 
5.10 -9.970120390e-02 
5.12 -9.695077195e-02 
5.14 -9.427501091e-02 
5.16 -9.167196607e-02 
5.18 -8.913972961e-02 
5.20 -8.667643970e-02 
5.22 -8.428027969e-02 
5.24 -8.194947718e-02 
5.26 -7.968230319e-02 
5.28 -7.747707133e-02 
5.30 -7.533213687e-02 
5.32 -7.324589596e-02 
5.34 -7.121678472e-02 
5.36 -6.924327847e-02 
5.38 -6.732389084e-02 
5.40 -6.545717298e-02 
5.42 -6.364171272e-02 
5.44 -6.187613381e-02 
5.46 -4.953356441e-02 
5.48 -4.819339816e-02 
5.50 -4.688900990e-02 
5.52 -4.561947084e-02 
5.54 -4.438387486e-02 
5.56 -4.318133797e-02 
5.58 -4.201099795e-02 
5.60 -4.087201379e-02 
5.62 -3.976356530e-02 
5.64 -3.868485264e-02 
5.66 -3.763509590e-02 
5.68 -3.661353461e-02 
5.70 -3.561942736e-02 
5.72 -3.465205136e-02 
5.74 -3.371070202e-02 
5.76 -3.279469253e-02 
5.78 -3.190335348e-02 
5.80 -3.103603243e-02 
5.82 -3.019209354e-02 
5.84 -2.937091718e-02 
5.86 -2.857189955e-02 
5.88 -2.779445229e-02 
5.90 -2.703800218e-02 
5.92 -2.630199068e-02 
5.94 -2.558587368e-02 
5.96 -2.488912109e-02 
5.98 -2.421121653e-02 
6.00 -2.355165699e-02