# 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 = FeNi2
# 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  3.341764357e+02 
0.90  3.018029882e+02 
0.92  2.727893988e+02 
0.94  2.469793869e+02 
0.96  2.241785286e+02 
0.98  2.040845349e+02 
1.00  1.863215047e+02 
1.02  1.705461808e+02 
1.04  1.565134528e+02 
1.06  1.440018816e+02 
1.08  1.328054459e+02 
1.10  1.227156474e+02 
1.12  1.135472229e+02 
1.14  1.051601171e+02 
1.16  9.739705596e+01 
1.18  9.018653863e+01 
1.20  8.351616577e+01 
1.22  7.738265256e+01 
1.24  7.177624111e+01 
1.26  6.663979953e+01 
1.28  6.193004644e+01 
1.30  5.759257362e+01 
1.32  5.356824193e+01 
1.34  4.980556873e+01 
1.36  4.629275760e+01 
1.38  4.301138703e+01 
1.40  3.994608356e+01 
1.42  3.708956495e+01 
1.44  3.442780137e+01 
1.46  3.194861906e+01 
1.48  2.964217577e+01 
1.50  2.750074150e+01 
1.52  2.551392248e+01 
1.54  2.367563904e+01 
1.56  2.198042413e+01 
1.58  2.042234010e+01 
1.60  1.899643400e+01 
1.62  1.737750341e+01 
1.64  1.570194838e+01 
1.66  1.412504606e+01 
1.68  1.264406819e+01 
1.70  1.124570666e+01 
1.72  9.930249967e+00 
1.74  8.695494069e+00 
1.76  7.537759690e+00 
1.78  6.453217167e+00 
1.80  5.437835035e+00 
1.82  4.487420838e+00 
1.84  3.599734353e+00 
1.86  2.773686301e+00 
1.88  2.010951288e+00 
1.90  1.311287953e+00 
1.92  6.731619307e-01 
1.94  9.494313387e-02 
1.96 -4.257040500e-01 
1.98 -8.937008344e-01 
2.00 -1.311559399e+00 
2.02 -1.682051668e+00 
2.04 -2.008259665e+00 
2.06 -2.292724074e+00 
2.08 -2.537936047e+00 
2.10 -2.746174050e+00 
2.12 -2.921129347e+00 
2.14 -3.067627514e+00 
2.16 -3.190610558e+00 
2.18 -3.295826484e+00 
2.20 -3.388963596e+00 
2.22 -3.474173128e+00 
2.24 -3.551371416e+00 
2.26 -3.619453173e+00 
2.28 -3.677374926e+00 
2.30 -3.724377410e+00 
2.32 -3.759867712e+00 
2.34 -3.783266102e+00 
2.36 -3.794037769e+00 
2.38 -3.792647132e+00 
2.40 -3.780521643e+00 
2.42 -3.758634308e+00 
2.44 -3.728151293e+00 
2.46 -3.690365427e+00 
2.48 -3.646502550e+00 
2.50 -3.598462919e+00 
2.52 -3.548961495e+00 
2.54 -3.498220328e+00 
2.56 -3.446174540e+00 
2.58 -3.392756658e+00 
2.60 -3.337861572e+00 
2.62 -3.281341896e+00 
2.64 -3.223194612e+00 
2.66 -3.163588369e+00 
2.68 -3.102700227e+00 
2.70 -3.040705966e+00 
2.72 -2.977780216e+00 
2.74 -2.914096512e+00 
2.76 -2.849827691e+00 
2.78 -2.785146180e+00 
2.80 -2.720224359e+00 
2.82 -2.655235253e+00 
2.84 -2.590353077e+00 
2.86 -2.525754006e+00 
2.88 -2.461616855e+00 
2.90 -2.398117586e+00 
2.92 -2.335435205e+00 
2.94 -2.273687180e+00 
2.96 -2.212228677e+00 
2.98 -2.150900310e+00 
3.00 -2.089746181e+00 
3.02 -2.028944480e+00 
3.04 -1.968975543e+00 
3.06 -1.909910737e+00 
3.08 -1.851790174e+00 
3.10 -1.794652161e+00 
3.12 -1.738533226e+00 
3.14 -1.683468279e+00 
3.16 -1.629490621e+00 
3.18 -1.576632012e+00 
3.20 -1.524922738e+00 
3.22 -1.474391622e+00 
3.24 -1.425065888e+00 
3.26 -1.376971619e+00 
3.28 -1.330135285e+00 
3.30 -1.284583176e+00 
3.32 -1.240340424e+00 
3.34 -1.197431010e+00 
3.36 -1.155877825e+00 
3.38 -1.115702822e+00 
3.40 -1.076926765e+00 
3.42 -1.039569389e+00 
3.44 -1.003649428e+00 
3.46 -9.691846503e-01 
3.48 -9.361918236e-01 
3.50 -9.046867299e-01 
3.52 -8.746715532e-01 
3.54 -8.460970219e-01 
3.56 -8.189005334e-01 
3.58 -7.930184026e-01 
3.60 -7.683856958e-01 
3.62 -7.449366708e-01 
3.64 -7.226046307e-01 
3.66 -7.013218826e-01 
3.68 -6.810198204e-01 
3.70 -6.616289607e-01 
3.72 -6.430789675e-01 
3.74 -6.252987299e-01 
3.76 -6.082164546e-01 
3.78 -5.917596472e-01 
3.80 -5.758557901e-01 
3.82 -5.604279922e-01 
3.84 -5.454161795e-01 
3.86 -5.307691399e-01 
3.88 -5.163414880e-01 
3.90 -5.020530743e-01 
3.92 -4.877761085e-01 
3.94 -4.734519945e-01 
3.96 -4.591794889e-01 
3.98 -4.450586431e-01 
4.00 -4.311004804e-01 
4.02 -4.172839079e-01 
4.04 -4.038160540e-01 
4.06 -3.908223772e-01 
4.08 -3.783569870e-01 
4.10 -3.664359672e-01 
4.12 -3.550603255e-01 
4.14 -3.442306265e-01 
4.16 -3.338111997e-01 
4.18 -3.232499605e-01 
4.20 -3.124816266e-01 
4.22 -3.015026337e-01 
4.24 -2.903412452e-01 
4.26 -2.790327208e-01 
4.28 -2.676122425e-01 
4.30 -2.561156270e-01 
4.32 -2.445766422e-01 
4.34 -2.330318953e-01 
4.36 -2.215137034e-01 
4.38 -2.100577457e-01 
4.40 -1.987002486e-01 
4.42 -1.874638014e-01 
4.44 -1.764102109e-01 
4.46 -1.653867072e-01 
4.48 -1.545647632e-01 
4.50 -1.443917883e-01 
4.52 -1.352947267e-01 
4.54 -1.268134902e-01 
4.56 -1.176808037e-01 
4.58 -1.071695874e-01 
4.60 -9.498846208e-02 
4.62 -8.156194918e-02 
4.64 -6.817041281e-02 
4.66 -5.573536464e-02 
4.68 -4.481261267e-02 
4.70 -3.568845035e-02 
4.72 -2.846391004e-02 
4.74 -2.312785333e-02 
4.76 -1.961912350e-02 
4.78 -1.787732348e-02 
4.80 -1.764515703e-02 
4.82 -1.770084871e-02 
4.84 -1.785569366e-02 
4.86 -1.809505459e-02 
4.88 -1.840429423e-02 
4.90 -1.876877532e-02 
4.92 -1.917386056e-02 
4.94 -1.960491270e-02 
4.96 -2.004729445e-02 
4.98 -2.048636854e-02 
5.00 -2.090749769e-02 
5.02 -2.129870141e-02 
5.04 -2.165862620e-02 
5.06 -2.198857536e-02 
5.08 -2.228985218e-02 
5.10 -2.256375994e-02 
5.12 -2.281160194e-02 
5.14 -2.303468145e-02 
5.16 -2.323430178e-02 
5.18 -2.341176621e-02 
5.20 -2.356837802e-02 
5.22 -2.370544051e-02 
5.24 -2.382425696e-02 
5.26 -2.392613067e-02 
5.28 -2.401236491e-02 
5.30 -2.408426298e-02 
5.32 -2.414312817e-02 
5.34 -2.419026376e-02 
5.36 -2.422697305e-02 
5.38 -2.425455932e-02 
5.40 -2.427432586e-02 
5.42 -2.428757596e-02 
5.44 -2.429561290e-02 
5.46 -2.429973998e-02 
5.48 -2.430126049e-02 
5.50 -2.430147770e-02 
5.52 -2.430147770e-02 
5.54 -2.430147770e-02 
5.56 -2.430147770e-02 
5.58 -2.430147770e-02 
5.60 -2.430147770e-02 
5.62 -2.430147770e-02 
5.64 -2.430147770e-02 
5.66 -2.430147770e-02 
5.68 -2.430147770e-02 
5.70 -2.430147770e-02 
5.72 -2.430147770e-02 
5.74 -2.430147770e-02 
5.76 -2.430147770e-02 
5.78 -2.430147770e-02 
5.80 -2.430147770e-02 
5.82 -2.430147770e-02 
5.84 -2.430147770e-02 
5.86 -2.430147770e-02 
5.88 -2.430147770e-02 
5.90 -2.430147770e-02 
5.92 -2.430147770e-02 
5.94 -2.430147770e-02 
5.96 -2.430147770e-02 
5.98 -2.430147770e-02 
6.00 -2.430147770e-02