# 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--ipr1
# 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 -3.374663590e+00 
2.22 -3.405841339e+00 
2.24 -3.433767432e+00 
2.26 -3.457834573e+00 
2.28 -3.473338510e+00 
2.30 -3.473408539e+00 
2.32 -3.456540781e+00 
2.34 -3.425566462e+00 
2.36 -3.385133887e+00 
2.38 -3.336667083e+00 
2.40 -3.277804573e+00 
2.42 -3.218715996e+00 
2.44 -3.170451214e+00 
2.46 -3.123477779e+00 
2.48 -3.069613539e+00 
2.50 -3.001562074e+00 
2.52 -2.919824133e+00 
2.54 -2.825445400e+00 
2.56 -2.721566693e+00 
2.58 -2.609610419e+00 
2.60 -2.491700884e+00 
2.62 -2.360528801e+00 
2.64 -2.212475683e+00 
2.66 -2.051108338e+00 
2.68 -1.992217255e+00 
2.70 -1.933218820e+00 
2.72 -1.875597075e+00 
2.74 -1.820737091e+00 
2.76 -1.767638291e+00 
2.78 -1.714869661e+00 
2.80 -1.660088619e+00 
2.82 -1.602413701e+00 
2.84 -1.542259411e+00 
2.86 -1.480021269e+00 
2.88 -1.418089959e+00 
2.90 -1.359105740e+00 
2.92 -1.303640413e+00 
2.94 -1.250919607e+00 
2.96 -1.189495223e+00 
2.98 -1.125349160e+00 
3.00 -1.066027635e+00 
3.02 -1.009264525e+00 
3.04 -9.564012699e-01 
3.06 -9.064038519e-01 
3.08 -8.628710372e-01 
3.10 -8.278430070e-01 
3.12 -8.086549584e-01 
3.14 -8.044541216e-01 
3.16 -8.103592851e-01 
3.18 -8.200225753e-01 
3.20 -8.279769350e-01 
3.22 -8.279461941e-01 
3.24 -8.143608611e-01 
3.26 -7.982514168e-01 
3.28 -7.857124353e-01 
3.30 -7.773075869e-01 
3.32 -7.736112044e-01 
3.34 -7.749979552e-01 
3.36 -7.816326645e-01 
3.38 -7.933210164e-01 
3.40 -8.096942124e-01 
3.42 -8.305264066e-01 
3.44 -8.550100978e-01 
3.46 -8.818300739e-01 
3.48 -9.093742553e-01 
3.50 -9.360629451e-01 
3.52 -9.606795780e-01 
3.54 -9.823825011e-01 
3.56 -1.000510067e+00 
3.58 -1.014176856e+00 
3.60 -1.022810947e+00 
3.62 -1.025261140e+00 
3.64 -1.022916962e+00 
3.66 -1.017373991e+00 
3.68 -1.008993734e+00 
3.70 -9.975812155e-01 
3.72 -9.841756712e-01 
3.74 -9.688242998e-01 
3.76 -9.529392842e-01 
3.78 -9.371527418e-01 
3.80 -9.228582293e-01 
3.82 -9.074414283e-01 
3.84 -8.904333482e-01 
3.86 -8.722781802e-01 
3.88 -8.537558706e-01 
3.90 -8.356195819e-01 
3.92 -8.185428809e-01 
3.94 -8.034868601e-01 
3.96 -7.910907158e-01 
3.98 -7.820675584e-01 
4.00 -7.768296538e-01 
4.02 -7.746558095e-01 
4.04 -7.756373976e-01 
4.06 -7.790296794e-01 
4.08 -7.847504818e-01 
4.10 -7.922217244e-01 
4.12 -8.009948066e-01 
4.14 -8.092354226e-01 
4.16 -8.131729332e-01 
4.18 -8.167601950e-01 
4.20 -8.196368479e-01 
4.22 -8.213002796e-01 
4.24 -8.214460367e-01 
4.26 -8.200692167e-01 
4.28 -8.170316462e-01 
4.30 -8.125035819e-01 
4.32 -8.062694957e-01 
4.34 -7.985466290e-01 
4.36 -7.891776631e-01 
4.38 -7.783139865e-01 
4.40 -7.658097721e-01 
4.42 -7.517414462e-01 
4.44 -7.358467855e-01 
4.46 -7.182378101e-01 
4.48 -6.986755725e-01 
4.50 -6.786354914e-01 
4.52 -6.533350216e-01 
4.54 -6.233050084e-01 
4.56 -5.925263288e-01 
4.58 -5.612962006e-01 
4.60 -5.300970771e-01 
4.62 -4.993468026e-01 
4.64 -4.694093244e-01 
4.66 -4.407954730e-01 
4.68 -4.137890185e-01 
4.70 -3.889835817e-01 
4.72 -3.665882604e-01 
4.74 -3.469342260e-01 
4.76 -3.295340978e-01 
4.78 -3.142791385e-01 
4.80 -3.006922374e-01 
4.82 -2.886376262e-01 
4.84 -2.776529830e-01 
4.86 -2.675675901e-01 
4.88 -2.579800692e-01 
4.90 -2.486318612e-01 
4.92 -2.392002903e-01 
4.94 -2.293526848e-01 
4.96 -2.188568724e-01 
4.98 -2.075232447e-01 
5.00 -1.954853413e-01 
5.02 -1.828763969e-01 
5.04 -1.697950656e-01 
5.06 -1.564198706e-01 
5.08 -1.428317786e-01 
5.10 -1.291927833e-01 
5.12 -1.156060125e-01 
5.14 -1.022043509e-01 
5.16 -8.909191469e-02 
5.18 -7.637231032e-02 
5.20 -6.406672397e-02 
5.22 -5.222996556e-02 
5.24 -4.090384655e-02 
5.26 -3.011215562e-02 
5.28 -1.991274237e-02 
5.30 -1.030543279e-02 
5.32 -1.370021264e-03 
5.34  6.925545889e-03 
5.36  1.447151534e-02 
5.38  2.130944056e-02 
5.40  2.724014372e-02 
5.42  3.229224685e-02 
5.44  3.628131840e-02 
5.46  3.925910253e-02 
5.48  4.112428065e-02 
5.50  4.213654011e-02 
5.52  4.240766163e-02 
5.54  4.210920926e-02 
5.56  4.143542857e-02 
5.58  4.051851935e-02 
5.60  3.955259818e-02 
5.62  3.870558714e-02 
5.64  3.812191549e-02 
5.66  3.801645308e-02 
5.68  3.848482725e-02 
5.70  3.979948006e-02 
5.72  4.195422915e-02 
5.74  4.490493485e-02 
5.76  4.834421079e-02 
5.78  5.211924429e-02 
5.80  5.598535654e-02 
5.82  5.973410941e-02 
5.84  6.317327264e-02 
5.86  6.603897997e-02 
5.88  6.819719047e-02 
5.90  6.933054489e-02 
5.92  6.933969615e-02 
5.94  6.786186590e-02 
5.96  6.486909084e-02 
5.98  6.027559854e-02 
6.00  5.456156384e-02