# 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 = Fe2Mn
# 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  9.864119662e+02 
0.90  9.041154764e+02 
0.92  8.302901024e+02 
0.94  7.640484389e+02 
0.96  7.044963419e+02 
0.98  6.507723127e+02 
1.00  6.021053987e+02 
1.02  5.577390056e+02 
1.04  5.169080549e+02 
1.06  4.789481261e+02 
1.08  4.435669395e+02 
1.10  4.105930819e+02 
1.12  3.798289342e+02 
1.14  3.511106254e+02 
1.16  3.242961618e+02 
1.18  2.992498004e+02 
1.20  2.758773511e+02 
1.22  2.540956071e+02 
1.24  2.337803388e+02 
1.26  2.147799214e+02 
1.28  1.970075662e+02 
1.30  1.803761766e+02 
1.32  1.647510092e+02 
1.34  1.500109441e+02 
1.36  1.361305136e+02 
1.38  1.230939089e+02 
1.40  1.108863485e+02 
1.42  9.949950743e+01 
1.44  8.892938311e+01 
1.46  7.916633729e+01 
1.48  7.018291017e+01 
1.50  6.194275897e+01 
1.52  5.441198531e+01 
1.54  4.755699451e+01 
1.56  4.134323856e+01 
1.58  3.573300592e+01 
1.60  3.068072510e+01 
1.62  2.614453315e+01 
1.64  2.208570024e+01 
1.66  1.846663287e+01 
1.68  1.525279751e+01 
1.70  1.241187096e+01 
1.72  9.911761234e+00 
1.74  7.718867152e+00 
1.76  5.795201918e+00 
1.78  4.123745888e+00 
1.80  2.690516132e+00 
1.82  1.481128193e+00 
1.84  4.810910656e-01 
1.86 -3.246799306e-01 
1.88 -9.530558804e-01 
1.90 -1.420967725e+00 
1.92 -1.745358386e+00 
1.94 -1.951879547e+00 
1.96 -2.069766001e+00 
1.98 -2.128300256e+00 
2.00 -2.156802566e+00 
2.02 -2.180541698e+00 
2.04 -2.207800896e+00 
2.06 -2.241250660e+00 
2.08 -2.283181649e+00 
2.10 -2.334695656e+00 
2.12 -2.394569141e+00 
2.14 -2.460366937e+00 
2.16 -2.529196616e+00 
2.18 -2.598209325e+00 
2.20 -2.664975833e+00 
2.22 -2.727282447e+00 
2.24 -2.783299574e+00 
2.26 -2.832728899e+00 
2.28 -2.875667721e+00 
2.30 -2.912457499e+00 
2.32 -2.943708328e+00 
2.34 -2.970065631e+00 
2.36 -2.992069895e+00 
2.38 -3.009519275e+00 
2.40 -3.022121286e+00 
2.42 -3.029574600e+00 
2.44 -3.031546282e+00 
2.46 -3.027639467e+00 
2.48 -3.017864913e+00 
2.50 -3.002651204e+00 
2.52 -2.982439007e+00 
2.54 -2.957664062e+00 
2.56 -2.928756319e+00 
2.58 -2.896137265e+00 
2.60 -2.860155182e+00 
2.62 -2.821141160e+00 
2.64 -2.779633924e+00 
2.66 -2.736212843e+00 
2.68 -2.691338045e+00 
2.70 -2.645149542e+00 
2.72 -2.597735867e+00 
2.74 -2.549186511e+00 
2.76 -2.499591911e+00 
2.78 -2.449043428e+00 
2.80 -2.397632982e+00 
2.82 -2.345452923e+00 
2.84 -2.292596407e+00 
2.86 -2.239157328e+00 
2.88 -2.185142685e+00 
2.90 -2.130312465e+00 
2.92 -2.074406484e+00 
2.94 -2.017170186e+00 
2.96 -1.958349799e+00 
2.98 -1.897692338e+00 
3.00 -1.834981381e+00 
3.02 -1.770352780e+00 
3.04 -1.704142678e+00 
3.06 -1.636690303e+00 
3.08 -1.568335690e+00 
3.10 -1.499419681e+00 
3.12 -1.430283941e+00 
3.14 -1.361270969e+00 
3.16 -1.292724101e+00 
3.18 -1.224987527e+00 
3.20 -1.158406298e+00 
3.22 -1.093338662e+00 
3.24 -1.030239420e+00 
3.26 -9.696092676e-01 
3.28 -9.119534996e-01 
3.30 -8.577801210e-01 
3.32 -8.075947516e-01 
3.34 -7.616329383e-01 
3.36 -7.196536950e-01 
3.38 -6.813677510e-01 
3.40 -6.464857685e-01 
3.42 -6.147181309e-01 
3.44 -5.857738941e-01 
3.46 -5.593605294e-01 
3.48 -5.351827591e-01 
3.50 -5.129408317e-01 
3.52 -4.923285592e-01 
3.54 -4.730354343e-01 
3.56 -4.547369155e-01 
3.58 -4.370708132e-01 
3.60 -4.197257836e-01 
3.62 -4.017280655e-01 
3.64 -3.837975046e-01 
3.66 -3.670573931e-01 
3.68 -3.503015400e-01 
3.70 -3.298043955e-01 
3.72 -3.042705132e-01 
3.74 -2.741218664e-01 
3.76 -2.424219053e-01 
3.78 -2.119124499e-01 
3.80 -1.839410204e-01 
3.82 -1.590078461e-01 
3.84 -1.371333980e-01 
3.86 -1.180992441e-01 
3.88 -1.015241658e-01 
3.90 -8.748439521e-02 
3.92 -7.584637771e-02 
3.94 -6.536765839e-02 
3.96 -5.529526121e-02 
3.98 -4.550944015e-02 
4.00 -3.655090477e-02 
4.02 -2.870828506e-02 
4.04 -2.210862577e-02 
4.06 -1.673043879e-02 
4.08 -1.245607646e-02 
4.10 -9.135918383e-03 
4.12 -6.619293144e-03 
4.14 -4.763456561e-03 
4.16 -3.435433360e-03 
4.18 -2.509529236e-03 
4.20 -1.863863038e-03 
4.22 -1.393049027e-03 
4.24 -1.052915174e-03 
4.26 -8.145569456e-04 
4.28 -6.490696973e-04 
4.30 -5.275487829e-04 
4.32 -4.257338359e-04 
4.34 -3.379416059e-04 
4.36 -2.631331216e-04 
4.38 -2.002694117e-04 
4.40 -1.483115049e-04 
4.42 -1.062204301e-04 
4.44 -7.295721575e-05 
4.46 -4.748289072e-05 
4.48 -2.875848370e-05 
4.50 -1.574502339e-05 
4.52 -7.403538506e-06 
4.54 -2.695057768e-06 
4.56 -5.806098895e-07 
4.58 -2.122358368e-08 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00