# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2009--Bonny-G-Pasianot-R-C-Malerba-L--Fe-Ni
# implementation = 2009--Bonny-G--Fe-Ni--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 2022-05-24

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  4.404866727e+02 
0.90  3.965282292e+02 
0.92  3.571592134e+02 
0.94  3.220141945e+02 
0.96  2.907518831e+02 
0.98  2.629595417e+02 
1.00  2.381986089e+02 
1.02  2.160195222e+02 
1.04  1.960956023e+02 
1.06  1.782147818e+02 
1.08  1.621756335e+02 
1.10  1.477522837e+02 
1.12  1.347268328e+02 
1.14  1.229034141e+02 
1.16  1.120782170e+02 
1.18  1.021253041e+02 
1.20  9.299327949e+01 
1.22  8.464529170e+01 
1.24  7.703301697e+01 
1.26  7.005553775e+01 
1.28  6.364129235e+01 
1.30  5.771994242e+01 
1.32  5.223835341e+01 
1.34  4.717463847e+01 
1.36  4.251581037e+01 
1.38  3.823335352e+01 
1.40  3.429157109e+01 
1.42  3.065863961e+01 
1.44  2.731090544e+01 
1.46  2.422914365e+01 
1.48  2.139372457e+01 
1.50  1.878667289e+01 
1.52  1.639089386e+01 
1.54  1.419323282e+01 
1.56  1.218045187e+01 
1.58  1.033827796e+01 
1.60  8.643270073e+00 
1.62  7.078957550e+00 
1.64  5.637600646e+00 
1.66  4.312372035e+00 
1.68  1.247978024e+01 
1.70  1.111870578e+01 
1.72  9.847314837e+00 
1.74  8.660563816e+00 
1.76  7.536119725e+00 
1.78  6.469964181e+00 
1.80  5.462575400e+00 
1.82  4.515454520e+00 
1.84  3.630928947e+00 
1.86  2.811372592e+00 
1.88  2.057234314e+00 
1.90  1.368682908e+00 
1.92  7.454550996e-01 
1.94  1.848751476e-01 
1.96 -3.170549707e-01 
1.98 -7.645433068e-01 
2.00 -1.162018421e+00 
2.02 -1.515199266e+00 
2.04 -1.828597798e+00 
2.06 -2.104613382e+00 
2.08 -2.345478971e+00 
2.10 -2.553401955e+00 
2.12 -2.731618698e+00 
2.14 -2.884273231e+00 
2.16 -3.015639595e+00 
2.18 -3.130159644e+00 
2.20 -3.232791377e+00 
2.22 -3.327803130e+00 
2.24 -3.415564127e+00 
2.26 -3.495061923e+00 
2.28 -3.564977580e+00 
2.30 -3.624084040e+00 
2.32 -3.671455918e+00 
2.34 -3.706200323e+00 
2.36 -3.727541152e+00 
2.38 -3.735911610e+00 
2.40 -3.732803500e+00 
2.42 -3.719746112e+00 
2.44 -3.698258396e+00 
2.46 -3.669779743e+00 
2.48 -3.635704147e+00 
2.50 -3.597414831e+00 
2.52 -3.555962169e+00 
2.54 -3.511272648e+00 
2.56 -3.463215867e+00 
2.58 -3.412411858e+00 
2.60 -3.358749975e+00 
2.62 -3.302011194e+00 
2.64 -3.242335918e+00 
2.66 -3.180081146e+00 
2.68 -3.115620517e+00 
2.70 -3.049334228e+00 
2.72 -2.981605412e+00 
2.74 -2.912819822e+00 
2.76 -2.843365680e+00 
2.78 -2.773633560e+00 
2.80 -2.704016090e+00 
2.82 -2.634907885e+00 
2.84 -2.566706048e+00 
2.86 -2.499810294e+00 
2.88 -2.434535354e+00 
2.90 -2.370940350e+00 
2.92 -2.309052183e+00 
2.94 -2.248872710e+00 
2.96 -2.190042807e+00 
2.98 -2.132435902e+00 
3.00 -2.076024215e+00 
3.02 -2.020764219e+00 
3.04 -1.966564430e+00 
3.06 -1.913314526e+00 
3.08 -1.861017326e+00 
3.10 -1.809825876e+00 
3.12 -1.759675620e+00 
3.14 -1.710493780e+00 
3.16 -1.662206265e+00 
3.18 -1.614737532e+00 
3.20 -1.568010547e+00 
3.22 -1.521958847e+00 
3.24 -1.476609642e+00 
3.26 -1.432033199e+00 
3.28 -1.388301413e+00 
3.30 -1.345485832e+00 
3.32 -1.303655503e+00 
3.34 -1.262876737e+00 
3.36 -1.223212994e+00 
3.38 -1.184724579e+00 
3.40 -1.147468488e+00 
3.42 -1.111498169e+00 
3.44 -1.076863293e+00 
3.46 -1.043609315e+00 
3.48 -1.011777591e+00 
3.50 -9.814048416e-01 
3.52 -9.525104621e-01 
3.54 -9.250583604e-01 
3.56 -8.989946355e-01 
3.58 -8.742598793e-01 
3.60 -8.507883331e-01 
3.62 -8.285093269e-01 
3.64 -8.073440843e-01 
3.66 -7.872131368e-01 
3.68 -7.680441949e-01 
3.70 -7.497660463e-01 
3.72 -7.323064031e-01 
3.74 -7.155917704e-01 
3.76 -6.995485168e-01 
3.78 -6.841049703e-01 
3.80 -6.691862599e-01 
3.82 -6.547022785e-01 
3.84 -6.406328328e-01 
3.86 -6.267992465e-01 
3.88 -6.131799840e-01 
3.90 -5.995963606e-01 
3.92 -5.860886076e-01 
3.94 -5.726665967e-01 
3.96 -5.593158335e-01 
3.98 -5.460007946e-01 
4.00 -5.326680125e-01 
4.02 -5.192587894e-01 
4.04 -5.057620310e-01 
4.06 -4.922036999e-01 
4.08 -4.785831061e-01 
4.10 -4.648873158e-01 
4.12 -4.511009968e-01 
4.14 -4.372076013e-01 
4.16 -4.231908535e-01 
4.18 -4.090352386e-01 
4.20 -3.947255791e-01 
4.22 -3.802541580e-01 
4.24 -3.656465583e-01 
4.26 -3.509353533e-01 
4.28 -3.361530354e-01 
4.30 -3.213330246e-01 
4.32 -3.065058766e-01 
4.34 -2.917061929e-01 
4.36 -2.769625396e-01 
4.38 -2.623082723e-01 
4.40 -2.477775513e-01 
4.42 -2.333852867e-01 
4.44 -2.192018851e-01 
4.46 -2.049943312e-01 
4.48 -1.909881947e-01 
4.50 -1.777993157e-01 
4.52 -1.660182450e-01 
4.54 -1.549955718e-01 
4.56 -1.429440053e-01 
4.58 -1.288402489e-01 
4.60 -1.122772433e-01 
4.62 -9.386090434e-02 
4.64 -7.540805299e-02 
4.66 -5.822808617e-02 
4.68 -4.311326274e-02 
4.70 -3.047474168e-02 
4.72 -2.046173803e-02 
4.74 -1.306489041e-02 
4.76 -8.204162939e-03 
4.78 -5.800655874e-03 
4.80 -5.494418179e-03 
4.82 -5.550109862e-03 
4.84 -5.704954808e-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 -8.756758826e-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