# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe
# implementation = 2021--Starikov-S--Fe--LAMMPS--ipr2
# composition = FenmFe2
# 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  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  3.518587138e+03 
0.98  3.518661346e+03 
1.00  3.518796191e+03 
1.02  3.518931778e+03 
1.04  3.519034787e+03 
1.06  3.519138864e+03 
1.08  3.519266754e+03 
1.10  3.519391084e+03 
1.12  3.519439779e+03 
1.14  3.519391600e+03 
1.16  3.519273835e+03 
1.18  3.519140239e+03 
1.20  3.519018734e+03 
1.22  3.518915169e+03 
1.24  3.518808734e+03 
1.26  3.518669527e+03 
1.28  3.518507951e+03 
1.30  3.518352886e+03 
1.32  3.518236398e+03 
1.34  3.518168134e+03 
1.36  3.518126729e+03 
1.38  3.518085494e+03 
1.40  3.518031114e+03 
1.42  3.517968831e+03 
1.44  3.517910040e+03 
1.46  3.517865328e+03 
1.48  3.517838643e+03 
1.50  3.517833850e+03 
1.52  3.517850020e+03 
1.54  3.501792284e+03 
1.56  3.464412052e+03 
1.58  3.441054230e+03 
1.60  2.878049744e+03 
1.62  2.322302351e+03 
1.64  1.838905910e+03 
1.66  1.419229259e+03 
1.68  1.048229429e+03 
1.70  7.251016648e+02 
1.72  4.673670381e+02 
1.74  2.682196331e+02 
1.76  1.387530101e+02 
1.78  6.118694181e+01 
1.80  2.350620822e+01 
1.82  1.067241608e+01 
1.84  7.045488010e+00 
1.86  5.217025499e+00 
1.88  3.596006068e+00 
1.90  2.078854148e+00 
1.92  7.209266528e-01 
1.94 -3.999578471e-01 
1.96 -1.289482914e+00 
1.98 -1.960292503e+00 
2.00 -2.432818322e+00 
2.02 -2.799254419e+00 
2.04 -2.993136498e+00 
2.06 -3.113416768e+00 
2.08 -3.178247249e+00 
2.10 -3.208493218e+00 
2.12 -3.229549260e+00 
2.14 -3.255098182e+00 
2.16 -3.294522619e+00 
2.18 -3.337781356e+00 
2.20 -3.370854300e+00 
2.22 -3.382939711e+00 
2.24 -3.369676422e+00 
2.26 -3.325717292e+00 
2.28 -3.245631892e+00 
2.30 -3.128928868e+00 
2.32 -2.987327241e+00 
2.34 -2.828487585e+00 
2.36 -2.654827332e+00 
2.38 -2.465042241e+00 
2.40 -2.251452863e+00 
2.42 -2.038471613e+00 
2.44 -1.857935012e+00 
2.46 -1.710125823e+00 
2.48 -1.585924697e+00 
2.50 -1.472496290e+00 
2.52 -1.381059692e+00 
2.54 -1.377598829e+00 
2.56 -1.384020514e+00 
2.58 -1.390646362e+00 
2.60 -1.397695358e+00 
2.62 -1.404682927e+00 
2.64 -1.411092643e+00 
2.66 -1.415681233e+00 
2.68 -1.417738410e+00 
2.70 -1.417332605e+00 
2.72 -1.414821733e+00 
2.74 -1.410847565e+00 
2.76 -1.405151302e+00 
2.78 -1.395509585e+00 
2.80 -1.379782854e+00 
2.82 -1.356917334e+00 
2.84 -1.327101659e+00 
2.86 -1.290604283e+00 
2.88 -1.249098084e+00 
2.90 -1.204327450e+00 
2.92 -1.157058729e+00 
2.94 -1.107118150e+00 
2.96 -1.043895200e+00 
2.98 -9.739530921e-01 
3.00 -9.058811568e-01 
3.02 -8.395324516e-01 
3.04 -7.787816601e-01 
3.06 -7.250855209e-01 
3.08 -6.838881048e-01 
3.10 -6.581824791e-01 
3.12 -6.524957327e-01 
3.14 -6.634808938e-01 
3.16 -6.850574685e-01 
3.18 -7.098818021e-01 
3.20 -7.317490539e-01 
3.22 -7.436985592e-01 
3.24 -7.398565340e-01 
3.26 -7.324336302e-01 
3.28 -7.280771652e-01 
3.30 -7.270259213e-01 
3.32 -7.296708863e-01 
3.34 -7.362505171e-01 
3.36 -7.469001256e-01 
3.38 -7.616031790e-01 
3.40 -7.801687946e-01 
3.42 -8.024878821e-01 
3.44 -8.279071687e-01 
3.46 -8.552031496e-01 
3.48 -8.830638507e-01 
3.50 -9.101342000e-01 
3.52 -9.352965213e-01 
3.54 -9.575330326e-01 
3.56 -9.760565520e-01 
3.58 -9.898448733e-01 
3.60 -9.981742436e-01 
3.62 -9.997351013e-01 
3.64 -9.957513287e-01 
3.66 -9.876467993e-01 
3.68 -9.759829326e-01 
3.70 -9.608226972e-01 
3.72 -9.436252900e-01 
3.74 -9.248959774e-01 
3.76 -9.065274591e-01 
3.78 -8.897992872e-01 
3.80 -8.764586291e-01 
3.82 -8.627953563e-01 
3.84 -8.478888863e-01 
3.86 -8.322261522e-01 
3.88 -8.165083989e-01 
3.90 -8.014183194e-01 
3.92 -7.875076879e-01 
3.94 -7.756156117e-01 
3.96 -7.663059138e-01 
3.98 -7.602026134e-01 
4.00 -7.576592195e-01 
4.02 -7.579109074e-01 
4.04 -7.610081043e-01 
4.06 -7.661947459e-01 
4.08 -7.733793451e-01 
4.10 -7.819842404e-01 
4.12 -7.916376693e-01 
4.14 -8.005446335e-01 
4.16 -8.049978519e-01 
4.18 -8.089794108e-01 
4.20 -8.121740887e-01 
4.22 -8.141040010e-01 
4.24 -8.144989438e-01 
4.26 -8.133791244e-01 
4.28 -8.106331813e-01 
4.30 -8.064511022e-01 
4.32 -8.006302913e-01 
4.34 -7.933720095e-01 
4.36 -7.845063280e-01 
4.38 -7.741632409e-01 
4.40 -7.621835053e-01 
4.42 -7.486262666e-01 
4.44 -7.332185405e-01 
4.46 -7.160610352e-01 
4.48 -6.969074530e-01 
4.50 -6.772279556e-01 
4.52 -6.522377932e-01 
4.54 -6.224669411e-01 
4.56 -5.918990746e-01 
4.58 -5.608338999e-01 
4.60 -5.297599396e-01 
4.62 -4.990997679e-01 
4.64 -4.692236462e-01 
4.66 -4.406483648e-01 
4.68 -4.136620310e-01 
4.70 -3.888622310e-01 
4.72 -3.664577993e-01 
4.74 -3.467797838e-01 
4.76 -3.293384726e-01 
4.78 -3.140258550e-01 
4.80 -3.003644732e-01 
4.82 -2.882210154e-01 
4.84 -2.771378113e-01 
4.86 -2.669508865e-01 
4.88 -2.572677802e-01 
4.90 -2.478413935e-01 
4.92 -2.383591444e-01 
4.94 -2.285013078e-01 
4.96 -2.180388393e-01 
4.98 -2.067745835e-01 
5.00 -1.948294514e-01 
5.02 -1.823238680e-01 
5.04 -1.693458245e-01 
5.06 -1.560655696e-01 
5.08 -1.425575578e-01 
5.10 -1.289818024e-01 
5.12 -1.154391671e-01 
5.14 -1.020638631e-01 
5.16 -8.896021064e-02 
5.18 -7.623241550e-02 
5.20 -6.390543216e-02 
5.22 -5.203431289e-02 
5.24 -4.066360943e-02 
5.26 -2.981999043e-02 
5.28 -1.956642136e-02 
5.30 -9.911146101e-03 
5.32 -9.414271136e-04 
5.34  7.362563472e-03 
5.36  1.488464589e-02 
5.38  2.167565439e-02 
5.40  2.756529954e-02 
5.42  3.258285993e-02 
5.44  3.654347441e-02 
5.46  3.949849335e-02 
5.48  4.134626318e-02 
5.50  4.234621938e-02 
5.52  4.260999988e-02 
5.54  4.230916220e-02 
5.56  4.163811061e-02 
5.58  4.072939058e-02 
5.60  3.977720717e-02 
5.62  3.894899042e-02 
5.64  3.838861023e-02 
5.66  3.831027653e-02 
5.68  3.880878968e-02 
5.70  4.015555418e-02 
5.72  4.234311925e-02 
5.74  4.532584815e-02 
5.76  4.879465437e-02 
5.78  5.259487035e-02 
5.80  5.647988019e-02 
5.82  6.023931708e-02 
5.84  6.367915382e-02 
5.86  6.653399477e-02 
5.88  6.866870049e-02 
5.90  6.976568560e-02 
5.92  6.972815763e-02 
5.94  6.819717573e-02 
5.96  6.514849318e-02 
5.98  6.049970559e-02 
6.00  5.473383637e-02