# 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 = Fe2nmFe
# 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  1.984262959e+03 
0.98  1.983951608e+03 
1.00  1.983677281e+03 
1.02  1.983400898e+03 
1.04  1.983128155e+03 
1.06  1.982909512e+03 
1.08  1.982767905e+03 
1.10  1.982677392e+03 
1.12  1.982560166e+03 
1.14  1.982409608e+03 
1.16  1.982251452e+03 
1.18  1.982106304e+03 
1.20  1.981967980e+03 
1.22  1.981812451e+03 
1.24  1.981623650e+03 
1.26  1.981393763e+03 
1.28  1.981139280e+03 
1.30  1.980881371e+03 
1.32  1.980649545e+03 
1.34  1.980457507e+03 
1.36  1.980298124e+03 
1.38  1.980157924e+03 
1.40  1.980028400e+03 
1.42  1.979917406e+03 
1.44  1.979833526e+03 
1.46  1.979780093e+03 
1.48  1.979753907e+03 
1.50  1.979751205e+03 
1.52  1.952869028e+03 
1.54  1.886408659e+03 
1.56  1.624210856e+03 
1.58  1.319902794e+03 
1.60  1.040069171e+03 
1.62  8.072605566e+02 
1.64  6.311009178e+02 
1.66  4.929893006e+02 
1.68  3.737213029e+02 
1.70  2.649291876e+02 
1.72  1.709079733e+02 
1.74  9.688097908e+01 
1.76  4.672841147e+01 
1.78  1.930017714e+01 
1.80  7.734733749e+00 
1.82  3.528375231e+00 
1.84  1.554969074e+00 
1.86  1.902563107e-01 
1.88 -8.529385726e-01 
1.90 -1.646796607e+00 
1.92 -2.231301363e+00 
1.94 -2.629436686e+00 
1.96 -2.878539394e+00 
1.98 -3.024905433e+00 
2.00 -3.108745711e+00 
2.02 -3.171985763e+00 
2.04 -3.256450827e+00 
2.06 -3.356524654e+00 
2.08 -3.462095720e+00 
2.10 -3.546923835e+00 
2.12 -3.599798426e+00 
2.14 -3.639739249e+00 
2.16 -3.672424630e+00 
2.18 -3.689234325e+00 
2.20 -3.682132521e+00 
2.22 -3.661048636e+00 
2.24 -3.630115876e+00 
2.26 -3.588054227e+00 
2.28 -3.532535092e+00 
2.30 -3.463007277e+00 
2.32 -3.382836605e+00 
2.34 -3.294492414e+00 
2.36 -3.198305521e+00 
2.38 -3.100499301e+00 
2.40 -3.007971855e+00 
2.42 -2.928181041e+00 
2.44 -2.869580170e+00 
2.46 -2.835009736e+00 
2.48 -2.816710882e+00 
2.50 -2.801284917e+00 
2.52 -2.786761436e+00 
2.54 -2.771228723e+00 
2.56 -2.752493378e+00 
2.58 -2.728536639e+00 
2.60 -2.696643071e+00 
2.62 -2.655336471e+00 
2.64 -2.604498149e+00 
2.66 -2.543239816e+00 
2.68 -2.475852494e+00 
2.70 -2.435418516e+00 
2.72 -2.394944663e+00 
2.74 -2.348800249e+00 
2.76 -2.296193227e+00 
2.78 -2.237151075e+00 
2.80 -2.172111913e+00 
2.82 -2.101616690e+00 
2.84 -2.027495120e+00 
2.86 -1.952674928e+00 
2.88 -1.878871861e+00 
2.90 -1.805640280e+00 
2.92 -1.731157316e+00 
2.94 -1.652249247e+00 
2.96 -1.565313151e+00 
2.98 -1.457775695e+00 
3.00 -1.322605000e+00 
3.02 -1.185370776e+00 
3.04 -1.052516238e+00 
3.06 -9.288367318e-01 
3.08 -8.236193017e-01 
3.10 -7.438381224e-01 
3.12 -6.893090243e-01 
3.14 -6.522284129e-01 
3.16 -6.272135454e-01 
3.18 -6.076851284e-01 
3.20 -5.882757492e-01 
3.22 -5.626964424e-01 
3.24 -5.257329285e-01 
3.26 -4.895258540e-01 
3.28 -4.607397792e-01 
3.30 -4.394090058e-01 
3.32 -4.258585739e-01 
3.34 -4.200567923e-01 
3.36 -4.220997785e-01 
3.38 -4.319277623e-01 
3.40 -4.493494463e-01 
3.42 -4.743398107e-01 
3.44 -5.058065178e-01 
3.46 -5.416175229e-01 
3.48 -5.796223766e-01 
3.50 -6.178191145e-01 
3.52 -6.542362912e-01 
3.54 -6.869891860e-01 
3.56 -7.143309681e-01 
3.58 -7.343007102e-01 
3.60 -7.452249098e-01 
3.62 -7.454626077e-01 
3.64 -7.364865318e-01 
3.66 -7.202602288e-01 
3.68 -6.991101687e-01 
3.70 -6.746665754e-01 
3.72 -6.491533515e-01 
3.74 -6.241871592e-01 
3.76 -6.027489253e-01 
3.78 -5.875071944e-01 
3.80 -5.813527810e-01 
3.82 -5.769214730e-01 
3.84 -5.716277803e-01 
3.86 -5.661802875e-01 
3.88 -5.613655502e-01 
3.90 -5.580054512e-01 
3.92 -5.567431926e-01 
3.94 -5.585001137e-01 
3.96 -5.639797041e-01 
3.98 -5.739105164e-01 
4.00 -5.887706972e-01 
4.02 -6.079172745e-01 
4.04 -6.313557324e-01 
4.06 -6.579567411e-01 
4.08 -6.871927169e-01 
4.10 -7.180577204e-01 
4.12 -7.498689987e-01 
4.14 -7.817608516e-01 
4.16 -8.129188311e-01 
4.18 -8.426015638e-01 
4.20 -8.698836344e-01 
4.22 -8.941352098e-01 
4.24 -9.144494386e-01 
4.26 -9.306899617e-01 
4.28 -9.422332507e-01 
4.30 -9.490240933e-01 
4.32 -9.507702673e-01 
4.34 -9.479755328e-01 
4.36 -9.405711999e-01 
4.38 -9.289662602e-01 
4.40 -9.131638975e-01 
4.42 -8.936381150e-01 
4.44 -8.703298636e-01 
4.46 -8.436864798e-01 
4.48 -8.138344621e-01 
4.50 -7.812880878e-01 
4.52 -7.468225212e-01 
4.54 -7.108903070e-01 
4.56 -6.743278722e-01 
4.58 -6.375914189e-01 
4.60 -6.012672108e-01 
4.62 -5.658242208e-01 
4.64 -5.317047568e-01 
4.66 -4.994963743e-01 
4.68 -4.695048117e-01 
4.70 -4.423885751e-01 
4.72 -4.183574246e-01 
4.74 -3.978208219e-01 
4.76 -3.803389986e-01 
4.78 -3.659488286e-01 
4.80 -3.542605463e-01 
4.82 -3.452547162e-01 
4.84 -3.385701375e-01 
4.86 -3.338925755e-01 
4.88 -3.305624591e-01 
4.90 -3.280521486e-01 
4.92 -3.258043130e-01 
4.94 -3.232693440e-01 
4.96 -3.199552138e-01 
4.98 -3.153484710e-01 
5.00 -3.092432235e-01 
5.02 -3.014357805e-01 
5.04 -2.916845355e-01 
5.06 -2.798421560e-01 
5.08 -2.656449394e-01 
5.10 -2.489451300e-01 
5.12 -2.297003445e-01 
5.14 -2.084193206e-01 
5.16 -1.856091165e-01 
5.18 -1.617821569e-01 
5.20 -1.374528624e-01 
5.22 -1.131124897e-01 
5.24 -8.929454733e-02 
5.26 -6.646961598e-02 
5.28 -4.518445906e-02 
5.30 -2.589484587e-02 
5.32 -9.167547188e-03 
5.34  4.564112217e-03 
5.36  1.471210326e-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