# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu
# implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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  nan             
0.90  nan             
0.92 -6.441368088e+02 
0.94 -5.999647556e+02 
0.96 -5.613359435e+02 
0.98 -5.256732514e+02 
1.00 -4.917252218e+02 
1.02 -4.591871429e+02 
1.04 -4.292971822e+02 
1.06 -4.020596626e+02 
1.08 -3.768166011e+02 
1.10 -3.533232862e+02 
1.12 -3.317021492e+02 
1.14 -3.121344063e+02 
1.16 -2.943335330e+02 
1.18 -2.776432769e+02 
1.20 -2.612925873e+02 
1.22 -2.450507659e+02 
1.24 -2.293363944e+02 
1.26 -2.149637135e+02 
1.28 -2.017660885e+02 
1.30 -1.898927974e+02 
1.32 -1.789678020e+02 
1.34 -1.687690815e+02 
1.36 -1.588973871e+02 
1.38 -1.491421577e+02 
1.40 -1.392074219e+02 
1.42 -1.294146782e+02 
1.44 -1.198979700e+02 
1.46 -1.105265982e+02 
1.48 -1.014416544e+02 
1.50 -9.255582858e+01 
1.52 -8.386065880e+01 
1.54 -7.542526572e+01 
1.56 -6.738584719e+01 
1.58 -5.987442655e+01 
1.60 -5.311592900e+01 
1.62 -4.707774180e+01 
1.64 -4.159289535e+01 
1.66 -3.640821370e+01 
1.68 -3.160035190e+01 
1.70 -2.705708822e+01 
1.72 -2.270001134e+01 
1.74 -1.835265952e+01 
1.76 -1.419622759e+01 
1.78 -1.046921012e+01 
1.80 -7.274661802e+00 
1.82 -4.889797691e+00 
1.84 -3.171986638e+00 
1.86 -1.990516692e+00 
1.88 -1.229048962e+00 
1.90 -7.956920848e-01 
1.92 -6.034414965e-01 
1.94 -5.712802557e-01 
1.96 -6.313791673e-01 
1.98 -7.362001792e-01 
2.00 -8.774832519e-01 
2.02 -1.080725367e+00 
2.04 -1.347226368e+00 
2.06 -1.645141787e+00 
2.08 -1.942129410e+00 
2.10 -2.211490018e+00 
2.12 -2.441122498e+00 
2.14 -2.643525798e+00 
2.16 -2.816097411e+00 
2.18 -2.966593530e+00 
2.20 -3.096485364e+00 
2.22 -3.206376811e+00 
2.24 -3.297969470e+00 
2.26 -3.372737870e+00 
2.28 -3.431701186e+00 
2.30 -3.475576807e+00 
2.32 -3.504878083e+00 
2.34 -3.531410839e+00 
2.36 -3.541888579e+00 
2.38 -3.542790220e+00 
2.40 -3.534967240e+00 
2.42 -3.520065998e+00 
2.44 -3.499376700e+00 
2.46 -3.474309218e+00 
2.48 -3.446266797e+00 
2.50 -3.416670287e+00 
2.52 -3.386607617e+00 
2.54 -3.356792260e+00 
2.56 -3.327946975e+00 
2.58 -3.300797515e+00 
2.60 -3.277221615e+00 
2.62 -3.256569426e+00 
2.64 -3.239846452e+00 
2.66 -3.227208225e+00 
2.68 -3.218299805e+00 
2.70 -3.212322619e+00 
2.72 -3.207572584e+00 
2.74 -3.199596891e+00 
2.76 -3.184665242e+00 
2.78 -3.160681577e+00 
2.80 -3.126167950e+00 
2.82 -3.079361032e+00 
2.84 -3.018000035e+00 
2.86 -2.939531564e+00 
2.88 -2.841177682e+00 
2.90 -2.720020733e+00 
2.92 -2.573107581e+00 
2.94 -2.397600222e+00 
2.96 -2.190827132e+00 
2.98 -1.950286630e+00 
3.00 -1.670236002e+00 
3.02 -1.346024854e+00 
3.04 -9.898887765e-01 
3.06 -6.063580730e-01 
3.08 -2.035783821e-01 
3.10  2.099149846e-01 
3.12  6.251263902e-01 
3.14  1.035125257e+00 
3.16  1.426489483e+00 
3.18  1.790110714e+00 
3.20  2.115630718e+00 
3.22  2.392787514e+00 
3.24  2.612478895e+00 
3.26  2.768522840e+00 
3.28  2.859322054e+00 
3.30  2.889062536e+00 
3.32  2.867718081e+00 
3.34  2.809440245e+00 
3.36  2.729611959e+00 
3.38  2.641704399e+00 
3.40  2.555256752e+00 
3.42  2.475451401e+00 
3.44  2.403927256e+00 
3.46  2.340209432e+00 
3.48  2.283058096e+00 
3.50  2.231391995e+00 
3.52  2.184740608e+00 
3.54  2.143325045e+00 
3.56  2.107881181e+00 
3.58  2.079338279e+00 
3.60  2.058562652e+00 
3.62  2.046299773e+00 
3.64  2.043166380e+00 
3.66  2.049659227e+00 
3.68  2.029977057e+00 
3.70  2.036620922e+00 
3.72  2.047505264e+00 
3.74  2.061988496e+00 
3.76  2.079401519e+00 
3.78  2.099061144e+00 
3.80  2.120280079e+00 
3.82  2.142375199e+00 
3.84  2.164674657e+00 
3.86  2.186543510e+00 
3.88  2.207554068e+00 
3.90  2.227386923e+00 
3.92  2.245731584e+00 
3.94  2.262376692e+00 
3.96  2.277277332e+00 
3.98  2.290403195e+00 
4.00  2.301719334e+00 
4.02  2.311186208e+00 
4.04  2.318758193e+00 
4.06  2.324383059e+00 
4.08  2.328000530e+00 
4.10  2.329541000e+00 
4.12  2.328924067e+00 
4.14  2.326038024e+00 
4.16  2.320727222e+00 
4.18  2.312817132e+00 
4.20  2.302113859e+00 
4.22  2.288398095e+00 
4.24  2.271425633e+00 
4.26  2.250927078e+00 
4.28  2.226605705e+00 
4.30  2.198135224e+00 
4.32  2.165158714e+00 
4.34  2.127287332e+00 
4.36  2.084103136e+00 
4.38  2.035161053e+00 
4.40  1.979997233e+00 
4.42  1.918140016e+00 
4.44  1.849128836e+00 
4.46  1.772542181e+00 
4.48  1.688032346e+00 
4.50  1.595376136e+00 
4.52  1.494552995e+00 
4.54  1.385976698e+00 
4.56  1.270500039e+00 
4.58  1.149405301e+00 
4.60  1.024450172e+00 
4.62  8.978695899e-01 
4.64  7.723080015e-01 
4.66  6.506760828e-01 
4.68  5.359284898e-01 
4.70  4.307888610e-01 
4.72  3.374620864e-01 
4.74  2.573992990e-01 
4.76  1.911611259e-01 
4.78  1.384046233e-01 
4.80  9.801195297e-02 
4.82  6.831879400e-02 
4.84  4.735422742e-02 
4.86  3.306675670e-02 
4.88  2.356760786e-02 
4.90  1.723653286e-02 
4.92  1.278924233e-02 
4.94  9.303597549e-03 
4.96  6.201269704e-03 
4.98  3.200145564e-03 
5.00  2.532510254e-04 
5.02 -2.523292576e-03 
5.04 -4.916387944e-03 
5.06 -6.686833533e-03 
5.08 -7.593635001e-03 
5.10 -7.397426810e-03 
5.12 -5.861475369e-03 
5.14 -2.750619010e-03 
5.16  2.166999648e-03 
5.18  9.121326899e-03 
5.20 -1.042305027e-02 
5.22 -9.838667800e-03 
5.24 -9.088498070e-03 
5.26 -8.206703288e-03 
5.28 -7.229216499e-03 
5.30 -6.193124399e-03 
5.32 -5.136561734e-03 
5.34 -4.096226832e-03 
5.36 -3.105073497e-03 
5.38 -2.192695019e-03 
5.40 -1.382083870e-03 
5.42 -6.891395449e-04 
5.44 -1.235131192e-04 
5.46  3.136290102e-04 
5.48  6.272349574e-04 
5.50  8.275296572e-04 
5.52  9.296364802e-04 
5.54  9.501397451e-04 
5.56  9.069890224e-04 
5.58  8.188820415e-04 
5.60  7.031994905e-04 
5.62  5.740851193e-04 
5.64  4.442379061e-04 
5.66  3.236446499e-04 
5.68  2.193992204e-04 
5.70  1.357879123e-04 
5.72  7.417485931e-05 
5.74  3.374369408e-05 
5.76  1.124813916e-05 
5.78  1.857598843e-06 
5.80 -1.160010736e-09 
5.82 -5.256774493e-07 
5.84 -6.332606872e-06 
5.86 -2.401888669e-05 
5.88 -5.991800478e-05 
5.90 -1.206205509e-04 
5.92 -2.127208416e-04 
5.94 -3.425301105e-04 
5.96 -5.163581085e-04 
5.98 -7.407995108e-04 
6.00 -4.840737846e-04