# 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 = Cr2Mn
# 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  2.826780744e+02 
0.98  2.587160065e+02 
1.00  2.371111770e+02 
1.02  2.174368731e+02 
1.04  1.992510451e+02 
1.06  1.828541543e+02 
1.08  1.678669625e+02 
1.10  1.541483973e+02 
1.12  1.414578602e+02 
1.14  1.297654786e+02 
1.16  1.191341603e+02 
1.18  1.093612441e+02 
1.20  1.005586172e+02 
1.22  9.230307572e+01 
1.24  8.464385220e+01 
1.26  7.769186171e+01 
1.28  7.126859387e+01 
1.30  6.539457460e+01 
1.32  5.988575189e+01 
1.34  5.495029468e+01 
1.36  5.026362523e+01 
1.38  4.596338664e+01 
1.40  4.198458884e+01 
1.42  3.831804759e+01 
1.44  3.506279696e+01 
1.46  3.207581044e+01 
1.48  2.917430678e+01 
1.50  2.649985449e+01 
1.52  2.408340083e+01 
1.54  2.189248303e+01 
1.56  1.978326264e+01 
1.58  1.786286744e+01 
1.60  1.606916481e+01 
1.62  1.441654771e+01 
1.64  1.289418615e+01 
1.66  1.153906423e+01 
1.68  1.028628453e+01 
1.70  9.089512886e+00 
1.72  7.988557892e+00 
1.74  7.043243913e+00 
1.76  6.106282998e+00 
1.78  5.245694020e+00 
1.80  4.455735366e+00 
1.82  3.794281076e+00 
1.84  3.124230526e+00 
1.86  2.597345326e+00 
1.88  2.028138341e+00 
1.90  1.507941918e+00 
1.92  1.033073533e+00 
1.94  6.344888318e-01 
1.96  2.373225077e-01 
1.98 -1.237347839e-01 
2.00 -4.514079115e-01 
2.02 -7.482205447e-01 
2.04 -1.016510607e+00 
2.06 -1.258444458e+00 
2.08 -1.476029918e+00 
2.10 -1.632033312e+00 
2.12 -1.788204579e+00 
2.14 -1.947945626e+00 
2.16 -2.089646794e+00 
2.18 -2.214713336e+00 
2.20 -2.324448663e+00 
2.22 -2.420061807e+00 
2.24 -2.433917285e+00 
2.26 -2.509778112e+00 
2.28 -2.574250617e+00 
2.30 -2.628259709e+00 
2.32 -2.672663329e+00 
2.34 -2.708257260e+00 
2.36 -2.735779567e+00 
2.38 -2.755914723e+00 
2.40 -2.769297422e+00 
2.42 -2.776516112e+00 
2.44 -2.727248347e+00 
2.46 -2.727292831e+00 
2.48 -2.722444848e+00 
2.50 -2.713155529e+00 
2.52 -2.655805189e+00 
2.54 -2.641820539e+00 
2.56 -2.624358809e+00 
2.58 -2.603764782e+00 
2.60 -2.580357518e+00 
2.62 -2.554432148e+00 
2.64 -2.526261550e+00 
2.66 -2.496097895e+00 
2.68 -2.464174100e+00 
2.70 -2.430705170e+00 
2.72 -2.395889451e+00 
2.74 -2.342529988e+00 
2.76 -2.306637446e+00 
2.78 -2.269837247e+00 
2.80 -2.232276130e+00 
2.82 -2.194089007e+00 
2.84 -2.155399788e+00 
2.86 -2.116322162e+00 
2.88 -2.076960313e+00 
2.90 -2.037409598e+00 
2.92 -1.997757173e+00 
2.94 -1.958082574e+00 
2.96 -1.918458268e+00 
2.98 -1.878950155e+00 
3.00 -1.839618042e+00 
3.02 -1.800516090e+00 
3.04 -1.761693215e+00 
3.06 -1.723193481e+00 
3.08 -1.685056451e+00 
3.10 -1.647317520e+00 
3.12 -1.610008230e+00 
3.14 -1.573156553e+00 
3.16 -1.520299392e+00 
3.18 -1.485334352e+00 
3.20 -1.450843025e+00 
3.22 -1.416844280e+00 
3.24 -1.383354449e+00 
3.26 -1.350387526e+00 
3.28 -1.317955350e+00 
3.30 -1.240615400e+00 
3.32 -1.211627528e+00 
3.34 -1.183077871e+00 
3.36 -1.154977397e+00 
3.38 -1.127335353e+00 
3.40 -1.100159393e+00 
3.42 -1.073455707e+00 
3.44 -1.047229136e+00 
3.46 -1.021483282e+00 
3.48 -9.962206087e-01 
3.50 -9.714425374e-01 
3.52 -9.471495334e-01 
3.54 -9.233411896e-01 
3.56 -9.000163028e-01 
3.58 -8.771729442e-01 
3.60 -8.548085265e-01 
3.62 -8.329198650e-01 
3.64 -8.115032351e-01 
3.66 -7.905544255e-01 
3.68 -7.700687877e-01 
3.70 -7.500412817e-01 
3.72 -7.304665189e-01 
3.74 -7.113388013e-01 
3.76 -6.926521581e-01 
3.78 -6.744003797e-01 
3.80 -6.565770492e-01 
3.82 -6.391755710e-01 
3.84 -6.221891977e-01 
3.86 -5.696500989e-01 
3.88 -5.550717601e-01 
3.90 -5.408168016e-01 
3.92 -5.268812121e-01 
3.94 -5.132607989e-01 
3.96 -4.999512101e-01 
3.98 -4.869479550e-01 
4.00 -4.742464231e-01 
4.02 -4.618419012e-01 
4.04 -4.497295902e-01 
4.06 -4.379046195e-01 
4.08 -4.263620613e-01 
4.10 -4.150969433e-01 
4.12 -4.041042600e-01 
4.14 -3.933789844e-01 
4.16 -3.829160774e-01 
4.18 -3.727104968e-01 
4.20 -3.627572064e-01 
4.22 -3.530511830e-01 
4.24 -3.435874238e-01 
4.26 -3.343609527e-01 
4.28 -3.253668261e-01 
4.30 -3.166001382e-01 
4.32 -3.080560256e-01 
4.34 -2.997296722e-01 
4.36 -2.916163122e-01 
4.38 -2.837112343e-01 
4.40 -2.760097845e-01 
4.42 -2.685073688e-01 
4.44 -2.611994556e-01 
4.46 -2.540815779e-01 
4.48 -2.471493351e-01 
4.50 -2.403983947e-01 
4.52 -2.338244933e-01 
4.54 -2.274234379e-01 
4.56 -2.211911069e-01 
4.58 -2.151234506e-01 
4.60 -2.092164919e-01 
4.62 -2.034663265e-01 
4.64 -1.978691233e-01 
4.66 -1.924211243e-01 
4.68 -1.871186448e-01 
4.70 -1.819580728e-01 
4.72 -1.769358694e-01 
4.74 -1.720485678e-01 
4.76 -1.672927733e-01 
4.78 -1.626651624e-01 
4.80 -1.581624827e-01 
4.82 -1.537815516e-01 
4.84 -1.495192563e-01 
4.86 -1.453725523e-01 
4.88 -1.413384632e-01 
4.90 -1.374140795e-01 
4.92 -1.335965577e-01 
4.94 -1.298831195e-01 
4.96 -1.262710508e-01 
4.98 -1.227577009e-01 
5.00 -1.193404811e-01 
5.02 -1.160168638e-01 
5.04 -1.127843819e-01 
5.06 -1.096406272e-01 
5.08 -1.065832497e-01 
5.10 -1.036099563e-01 
5.12 -1.007185100e-01 
5.14 -9.790672857e-02 
5.16 -9.517248366e-02 
5.18 -9.251369974e-02 
5.20 -8.992835296e-02 
5.22 -8.741447013e-02 
5.24 -8.497012770e-02 
5.26 -8.259345068e-02 
5.28 -8.028261165e-02 
5.30 -7.803582969e-02 
5.32 -7.585136941e-02 
5.34 -7.372753993e-02 
5.36 -7.166269390e-02 
5.38 -6.965522650e-02 
5.40 -6.770357453e-02 
5.42 -6.580621537e-02 
5.44 -6.396166615e-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