# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn
# implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1
# composition = Fe2Ni
# 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 2024-01-04

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  3.987909725e+02 
0.90  3.591913612e+02 
0.92  3.238038309e+02 
0.94  2.923096761e+02 
0.96  2.644024845e+02 
0.98  2.396996707e+02 
1.00  2.177891126e+02 
1.02  1.982422820e+02 
1.04  1.807529120e+02 
1.06  1.651263728e+02 
1.08  1.511756703e+02 
1.10  1.386908375e+02 
1.12  1.274692037e+02 
1.14  1.173253814e+02 
1.16  1.080652479e+02 
1.18  9.957294835e+01 
1.20  9.180696240e+01 
1.22  8.473809590e+01 
1.24  7.832365621e+01 
1.26  7.246708188e+01 
1.28  6.710137683e+01 
1.30  6.216127690e+01 
1.32  5.759754167e+01 
1.34  5.339038223e+01 
1.36  4.946790887e+01 
1.38  4.578658953e+01 
1.40  4.233134005e+01 
1.42  3.908864081e+01 
1.44  3.605062427e+01 
1.46  3.321076041e+01 
1.48  3.056015750e+01 
1.50  2.808967569e+01 
1.52  2.578956121e+01 
1.54  2.365308701e+01 
1.56  2.167268471e+01 
1.58  1.983914703e+01 
1.60  1.814413915e+01 
1.62  1.657982663e+01 
1.64  1.513846973e+01 
1.66  1.381324113e+01 
1.68  1.247978024e+01 
1.70  1.111870578e+01 
1.72  9.847314837e+00 
1.74  8.660563817e+00 
1.76  7.536119730e+00 
1.78  6.469964171e+00 
1.80  5.462575404e+00 
1.82  4.515454543e+00 
1.84  3.630928937e+00 
1.86  2.811372591e+00 
1.88  2.057234313e+00 
1.90  1.368682909e+00 
1.92  7.454550995e-01 
1.94  1.848751499e-01 
1.96 -3.170549704e-01 
1.98 -7.645433065e-01 
2.00 -1.162018405e+00 
2.02 -1.515199263e+00 
2.04 -1.828597796e+00 
2.06 -2.104613382e+00 
2.08 -2.345478972e+00 
2.10 -2.553401955e+00 
2.12 -2.731618700e+00 
2.14 -2.884273231e+00 
2.16 -3.015639594e+00 
2.18 -3.130159644e+00 
2.20 -3.232791380e+00 
2.22 -3.327803130e+00 
2.24 -3.415564127e+00 
2.26 -3.495061923e+00 
2.28 -3.564977580e+00 
2.30 -3.624084039e+00 
2.32 -3.671455918e+00 
2.34 -3.706200323e+00 
2.36 -3.727541152e+00 
2.38 -3.735911610e+00 
2.40 -3.732803501e+00 
2.42 -3.719746111e+00 
2.44 -3.698258398e+00 
2.46 -3.669779744e+00 
2.48 -3.635704147e+00 
2.50 -3.597414835e+00 
2.52 -3.555962165e+00 
2.54 -3.511272647e+00 
2.56 -3.463215867e+00 
2.58 -3.412411858e+00 
2.60 -3.358749977e+00 
2.62 -3.302011194e+00 
2.64 -3.242335918e+00 
2.66 -3.180081147e+00 
2.68 -3.115620517e+00 
2.70 -3.049334228e+00 
2.72 -2.981605412e+00 
2.74 -2.912819823e+00 
2.76 -2.843365680e+00 
2.78 -2.773633561e+00 
2.80 -2.704016092e+00 
2.82 -2.634907886e+00 
2.84 -2.566706047e+00 
2.86 -2.499810294e+00 
2.88 -2.434535355e+00 
2.90 -2.370940352e+00 
2.92 -2.309052181e+00 
2.94 -2.248872703e+00 
2.96 -2.190042807e+00 
2.98 -2.132435905e+00 
3.00 -2.076024216e+00 
3.02 -2.020764219e+00 
3.04 -1.966564429e+00 
3.06 -1.913314541e+00 
3.08 -1.861017326e+00 
3.10 -1.809825879e+00 
3.12 -1.759675627e+00 
3.14 -1.710493784e+00 
3.16 -1.662206264e+00 
3.18 -1.614737532e+00 
3.20 -1.568010541e+00 
3.22 -1.521958841e+00 
3.24 -1.476609643e+00 
3.26 -1.432033206e+00 
3.28 -1.388301417e+00 
3.30 -1.345485845e+00 
3.32 -1.303655504e+00 
3.34 -1.262876734e+00 
3.36 -1.223212979e+00 
3.38 -1.184724551e+00 
3.40 -1.147468462e+00 
3.42 -1.111498169e+00 
3.44 -1.076863267e+00 
3.46 -1.043609316e+00 
3.48 -1.011777605e+00 
3.50 -9.814048999e-01 
3.52 -9.525105709e-01 
3.54 -9.250585067e-01 
3.56 -8.989947335e-01 
3.58 -8.742599118e-01 
3.60 -8.507886057e-01 
3.62 -8.285093300e-01 
3.64 -8.073441982e-01 
3.66 -7.872131660e-01 
3.68 -7.680442136e-01 
3.70 -7.497660352e-01 
3.72 -7.323062920e-01 
3.74 -7.155917353e-01 
3.76 -6.995483430e-01 
3.78 -6.841016764e-01 
3.80 -6.691743144e-01 
3.82 -6.546997730e-01 
3.84 -6.406094307e-01 
3.86 -6.267873184e-01 
3.88 -6.131521727e-01 
3.90 -5.995992362e-01 
3.92 -5.860963732e-01 
3.94 -5.726695276e-01 
3.96 -5.593157098e-01 
3.98 -5.459565896e-01 
4.00 -5.325593573e-01 
4.02 -5.191174051e-01 
4.04 -5.056352575e-01 
4.06 -4.921094256e-01 
4.08 -4.785205213e-01 
4.10 -4.648501360e-01 
4.12 -4.510824950e-01 
4.14 -4.371985711e-01 
4.16 -4.231888540e-01 
4.18 -4.090352206e-01 
4.20 -3.947220153e-01 
4.22 -3.802534367e-01 
4.24 -3.656457142e-01 
4.26 -3.509206117e-01 
4.28 -3.361340123e-01 
4.30 -3.213271533e-01 
4.32 -3.062386294e-01 
4.34 -2.910995188e-01 
4.36 -2.762814465e-01 
4.38 -2.620727170e-01 
4.40 -2.488488048e-01 
4.42 -2.364608816e-01 
4.44 -2.238760314e-01 
4.46 -2.103688250e-01 
4.48 -1.955066965e-01 
4.50 -1.790996712e-01 
4.52 -1.610821374e-01 
4.54 -1.419170827e-01 
4.56 -1.225803534e-01 
4.58 -1.038160804e-01 
4.60 -8.615916298e-02 
4.62 -6.997536250e-02 
4.64 -5.549617731e-02 
4.66 -4.284915169e-02 
4.68 -3.208508650e-02 
4.70 -2.320215705e-02 
4.72 -1.616724663e-02 
4.74 -1.093470689e-02 
4.76 -7.462627483e-03 
4.78 -5.726523689e-03 
4.80 -5.494418179e-03 
4.82 -5.550109862e-03 
4.84 -5.704954807e-03 
4.86 -5.944315739e-03 
4.88 -6.253555384e-03 
4.90 -6.618036467e-03 
4.92 -7.023121713e-03 
4.94 -7.454173849e-03 
4.96 -7.896555601e-03 
4.98 -8.335629692e-03 
5.00 -8.756758836e-03 
5.02 -9.147962561e-03 
5.04 -9.507887353e-03 
5.06 -9.837836512e-03 
5.08 -1.013911333e-02 
5.10 -1.041302109e-02 
5.12 -1.066086309e-02 
5.14 -1.088394260e-02 
5.16 -1.108356293e-02 
5.18 -1.126102736e-02 
5.20 -1.141763917e-02 
5.22 -1.155470166e-02 
5.24 -1.167351811e-02 
5.26 -1.177539181e-02 
5.28 -1.186162606e-02 
5.30 -1.193352413e-02 
5.32 -1.199238932e-02 
5.34 -1.203952491e-02 
5.36 -1.207623420e-02 
5.38 -1.210382047e-02 
5.40 -1.212358701e-02 
5.42 -1.213683711e-02 
5.44 -1.214487405e-02 
5.46 -1.214900113e-02 
5.48 -1.215052164e-02 
5.50 -1.215073885e-02 
5.52 -1.215073885e-02 
5.54 -1.215073885e-02 
5.56 -1.215073885e-02 
5.58 -1.215073885e-02 
5.60 -1.215073885e-02 
5.62 -1.215073885e-02 
5.64 -1.215073885e-02 
5.66 -1.215073885e-02 
5.68 -1.215073885e-02 
5.70 -1.215073885e-02 
5.72 -1.215073885e-02 
5.74 -1.215073885e-02 
5.76 -1.215073885e-02 
5.78 -1.215073885e-02 
5.80 -1.215073885e-02 
5.82 -1.215073885e-02 
5.84 -1.215073885e-02 
5.86 -1.215073885e-02 
5.88 -1.215073885e-02 
5.90 -1.215073885e-02 
5.92 -1.215073885e-02 
5.94 -1.215073885e-02 
5.96 -1.215073885e-02 
5.98 -1.215073885e-02 
6.00 -1.215073885e-02