# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Bonny-G-Bakaev-A-Terentyev-D--Fe-C-Cr
# implementation = 2022--Bonny-G--Fe-C-Cr--LAMMPS--ipr1
# composition = CrFe2
# 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  4.353871804e+03 
0.86  3.961978371e+03 
0.88  3.609905603e+03 
0.90  3.292355700e+03 
0.92  3.005032673e+03 
0.94  2.744214368e+03 
0.96  2.506698133e+03 
0.98  2.289885162e+03 
1.00  2.091664372e+03 
1.02  1.910029957e+03 
1.04  1.744231165e+03 
1.06  1.593023495e+03 
1.08  1.454920498e+03 
1.10  1.328619212e+03 
1.12  1.212929995e+03 
1.14  1.106819486e+03 
1.16  1.009339479e+03 
1.18  9.196271581e+02 
1.20  8.369046071e+02 
1.22  7.604457689e+02 
1.24  6.896018729e+02 
1.26  6.238198354e+02 
1.28  5.625915051e+02 
1.30  5.055782259e+02 
1.32  4.524984491e+02 
1.34  4.030858623e+02 
1.36  3.570803061e+02 
1.38  3.142154905e+02 
1.40  2.742222251e+02 
1.42  2.368448063e+02 
1.44  2.018599575e+02 
1.46  1.690590688e+02 
1.48  1.389037748e+02 
1.50  1.128871851e+02 
1.52  9.122688742e+01 
1.54  7.367305066e+01 
1.56  5.944442684e+01 
1.58  4.790566738e+01 
1.60  3.854090204e+01 
1.62  3.093326371e+01 
1.64  2.474656560e+01 
1.66  1.971109449e+01 
1.68  1.561062114e+01 
1.70  1.227120068e+01 
1.72  9.551913509e+00 
1.74  7.338276102e+00 
1.76  5.537687586e+00 
1.78  4.074145947e+00 
1.80  2.876551155e+00 
1.82  1.892882773e+00 
1.84  1.085389725e+00 
1.86  4.239681960e-01 
1.88 -1.166608626e-01 
1.90 -5.563530716e-01 
1.92 -9.112145045e-01 
1.94 -1.196690693e+00 
1.96 -1.427029348e+00 
1.98 -1.614474407e+00 
2.00 -1.769623715e+00 
2.02 -1.900800348e+00 
2.04 -2.013713842e+00 
2.06 -2.120837382e+00 
2.08 -2.214265705e+00 
2.10 -2.303676699e+00 
2.12 -2.389192875e+00 
2.14 -2.470683208e+00 
2.16 -2.547794537e+00 
2.18 -2.620111996e+00 
2.20 -2.687364068e+00 
2.22 -2.749433268e+00 
2.24 -2.806312571e+00 
2.26 -2.857967007e+00 
2.28 -2.904121889e+00 
2.30 -2.944663047e+00 
2.32 -2.979732217e+00 
2.34 -3.009462412e+00 
2.36 -3.033999766e+00 
2.38 -3.053582591e+00 
2.40 -3.068480660e+00 
2.42 -3.078970778e+00 
2.44 -3.085284521e+00 
2.46 -3.087529531e+00 
2.48 -3.085772802e+00 
2.50 -3.080077574e+00 
2.52 -3.070503284e+00 
2.54 -3.057115727e+00 
2.56 -3.040009118e+00 
2.58 -3.019277156e+00 
2.60 -2.994953119e+00 
2.62 -2.967072559e+00 
2.64 -2.935892945e+00 
2.66 -2.901715328e+00 
2.68 -2.864843656e+00 
2.70 -2.825584820e+00 
2.72 -2.784247269e+00 
2.74 -2.741140978e+00 
2.76 -2.696577466e+00 
2.78 -2.650842505e+00 
2.80 -2.604324029e+00 
2.82 -2.557331871e+00 
2.84 -2.510209539e+00 
2.86 -2.463300239e+00 
2.88 -2.416826425e+00 
2.90 -2.370733639e+00 
2.92 -2.324953123e+00 
2.94 -2.279423640e+00 
2.96 -2.234085357e+00 
2.98 -2.188879819e+00 
3.00 -2.143749923e+00 
3.02 -2.098639897e+00 
3.04 -2.053495265e+00 
3.06 -2.008262821e+00 
3.08 -1.962890597e+00 
3.10 -1.917327824e+00 
3.12 -1.871524900e+00 
3.14 -1.825433343e+00 
3.16 -1.779005746e+00 
3.18 -1.732195725e+00 
3.20 -1.684957858e+00 
3.22 -1.637259702e+00 
3.24 -1.589163822e+00 
3.26 -1.540777669e+00 
3.28 -1.492210914e+00 
3.30 -1.443574356e+00 
3.32 -1.394978893e+00 
3.34 -1.346535288e+00 
3.36 -1.298353894e+00 
3.38 -1.250544340e+00 
3.40 -1.203215140e+00 
3.42 -1.156473250e+00 
3.44 -1.110423527e+00 
3.46 -1.065168084e+00 
3.48 -1.020803602e+00 
3.50 -9.773884705e-01 
3.52 -9.349465834e-01 
3.54 -8.934944023e-01 
3.56 -8.530402529e-01 
3.58 -8.135825921e-01 
3.60 -7.751080615e-01 
3.62 -7.375889202e-01 
3.64 -7.009798932e-01 
3.66 -6.652332830e-01 
3.68 -6.303393531e-01 
3.70 -5.962966230e-01 
3.72 -5.631024766e-01 
3.74 -5.307527154e-01 
3.76 -4.992584582e-01 
3.78 -4.685906684e-01 
3.80 -4.387540693e-01 
3.82 -4.093110852e-01 
3.84 -3.814811210e-01 
3.86 -3.564555775e-01 
3.88 -3.324721195e-01 
3.90 -3.063635260e-01 
3.92 -2.774687569e-01 
3.94 -2.469093667e-01 
3.96 -2.161389211e-01 
3.98 -1.859583508e-01 
4.00 -1.573777277e-01 
4.02 -1.320601189e-01 
4.04 -1.108862326e-01 
4.06 -9.385368766e-02 
4.08 -8.054109285e-02 
4.10 -7.037713389e-02 
4.12 -6.277449007e-02 
4.14 -5.717886008e-02 
4.16 -5.307767086e-02 
4.18 -4.998950963e-02 
4.20 -4.744927458e-02 
4.22 -4.507551122e-02 
4.24 -4.279204988e-02 
4.26 -4.059675618e-02 
4.28 -3.848750694e-02 
4.30 -3.646219033e-02 
4.32 -3.451870547e-02 
4.34 -3.265496226e-02 
4.36 -3.086888118e-02 
4.38 -2.915839292e-02 
4.40 -2.752143827e-02 
4.42 -2.595596800e-02 
4.44 -2.445994232e-02 
4.46 -2.303133079e-02 
4.48 -2.166811238e-02 
4.50 -2.036827494e-02 
4.52 -1.912981494e-02 
4.54 -1.795073746e-02 
4.56 -1.682905606e-02 
4.58 -1.576279238e-02 
4.60 -1.474998513e-02 
4.62 -1.378889624e-02 
4.64 -1.287801420e-02 
4.66 -1.201584070e-02 
4.68 -1.120087978e-02 
4.70 -1.043165883e-02 
4.72 -9.706684295e-03 
4.74 -9.024508822e-03 
4.76 -8.383637750e-03 
4.78 -7.782647371e-03 
4.80 -7.220059628e-03 
4.82 -6.694415481e-03 
4.84 -6.204356109e-03 
4.86 -5.748328272e-03 
4.88 -5.324897058e-03 
4.90 -4.932787313e-03 
4.92 -4.570578761e-03 
4.94 -4.235098348e-03 
4.96 -3.926096290e-03 
4.98 -3.643744028e-03 
5.00 -3.387618191e-03 
5.02 -3.156941563e-03 
5.04 -2.951629496e-03 
5.06 -2.768843926e-03 
5.08 -2.603971945e-03 
5.10 -2.453619995e-03 
5.12 -2.314396157e-03 
5.14 -2.184830152e-03 
5.16 -2.064334522e-03 
5.18 -1.952310588e-03 
5.20 -1.848121206e-03 
5.22 -1.751293131e-03 
5.24 -1.660780431e-03 
5.26 -1.574990997e-03 
5.28 -1.492583957e-03 
5.30 -8.104503545e-04 
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