# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Eich-S-M-Beinke-D-Schmitz-G--Fe-Cr
# implementation = 2015--Eich-S-M--Fe-Cr--LAMMPS--ipr1
# composition = Cr2Fe
# 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 2024-11-27

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  6.657493421e+03 
0.86  6.089380294e+03 
0.88  5.572298234e+03 
0.90  5.100849212e+03 
0.92  4.670109982e+03 
0.94  4.275441257e+03 
0.96  3.912921931e+03 
0.98  3.579541136e+03 
1.00  3.272692084e+03 
1.02  2.990098457e+03 
1.04  2.729659846e+03 
1.06  2.489539257e+03 
1.08  2.268117473e+03 
1.10  2.063868516e+03 
1.12  1.875328278e+03 
1.14  1.701138427e+03 
1.16  1.539988108e+03 
1.18  1.390640998e+03 
1.20  1.251948430e+03 
1.22  1.122835792e+03 
1.24  1.002422097e+03 
1.26  8.898668708e+02 
1.28  7.844871609e+02 
1.30  6.857981764e+02 
1.32  5.933709580e+02 
1.34  5.067959732e+02 
1.36  4.256681194e+02 
1.38  3.495792397e+02 
1.40  2.804231380e+02 
1.42  2.237991195e+02 
1.44  1.787076570e+02 
1.46  1.427194218e+02 
1.48  1.139241742e+02 
1.50  9.084654974e+01 
1.52  7.235124122e+01 
1.54  5.753375503e+01 
1.56  4.566628972e+01 
1.58  3.616254381e+01 
1.60  2.855130773e+01 
1.62  2.245499772e+01 
1.64  1.757168568e+01 
1.66  1.366116009e+01 
1.68  1.053148666e+01 
1.70  8.029040058e+00 
1.72  6.030663631e+00 
1.74  4.437334233e+00 
1.76  3.169646514e+00 
1.78  2.162715702e+00 
1.80  1.361849639e+00 
1.82  7.230211324e-01 
1.84  2.112174656e-01 
1.86 -2.021270801e-01 
1.88 -5.398185664e-01 
1.90 -8.180080393e-01 
1.92 -1.049250028e+00 
1.94 -1.243542094e+00 
1.96 -1.408877450e+00 
1.98 -1.551686254e+00 
2.00 -1.677184896e+00 
2.02 -1.789654808e+00 
2.04 -1.892497964e+00 
2.06 -1.987843045e+00 
2.08 -2.077283611e+00 
2.10 -2.162285881e+00 
2.12 -2.244238160e+00 
2.14 -2.323551014e+00 
2.16 -2.399935261e+00 
2.18 -2.472992226e+00 
2.20 -2.542248748e+00 
2.22 -2.607274112e+00 
2.24 -2.667750888e+00 
2.26 -2.723345075e+00 
2.28 -2.773725636e+00 
2.30 -2.818799266e+00 
2.32 -2.858605513e+00 
2.34 -2.893175403e+00 
2.36 -2.922530123e+00 
2.38 -2.946582095e+00 
2.40 -2.964984277e+00 
2.42 -2.977397364e+00 
2.44 -2.983700209e+00 
2.46 -2.983827119e+00 
2.48 -2.977711565e+00 
2.50 -2.965373318e+00 
2.52 -2.947321578e+00 
2.54 -2.924256632e+00 
2.56 -2.896943569e+00 
2.58 -2.866157855e+00 
2.60 -2.832667558e+00 
2.62 -2.797233512e+00 
2.64 -2.760561935e+00 
2.66 -2.722899811e+00 
2.68 -2.684267655e+00 
2.70 -2.644686053e+00 
2.72 -2.604186379e+00 
2.74 -2.562823664e+00 
2.76 -2.520657905e+00 
2.78 -2.477750651e+00 
2.80 -2.434164452e+00 
2.82 -2.389963833e+00 
2.84 -2.345215000e+00 
2.86 -2.299985633e+00 
2.88 -2.254326292e+00 
2.90 -2.208256758e+00 
2.92 -2.161809930e+00 
2.94 -2.115023239e+00 
2.96 -2.067935563e+00 
2.98 -2.020587197e+00 
3.00 -1.973019810e+00 
3.02 -1.925276409e+00 
3.04 -1.877401304e+00 
3.06 -1.829440064e+00 
3.08 -1.781439484e+00 
3.10 -1.733447539e+00 
3.12 -1.685513345e+00 
3.14 -1.637687119e+00 
3.16 -1.590020130e+00 
3.18 -1.542564657e+00 
3.20 -1.495373941e+00 
3.22 -1.448501983e+00 
3.24 -1.402003020e+00 
3.26 -1.355931895e+00 
3.28 -1.310344791e+00 
3.30 -1.265298796e+00 
3.32 -1.220851362e+00 
3.34 -1.177060172e+00 
3.36 -1.133982985e+00 
3.38 -1.091677458e+00 
3.40 -1.050200939e+00 
3.42 -1.009610221e+00 
3.44 -9.699579682e-01 
3.46 -9.312528761e-01 
3.48 -8.934721435e-01 
3.50 -8.565903294e-01 
3.52 -8.205794231e-01 
3.54 -7.854082142e-01 
3.56 -7.510415273e-01 
3.58 -7.174416864e-01 
3.60 -6.845768872e-01 
3.62 -6.524117487e-01 
3.64 -6.209020270e-01 
3.66 -5.900096917e-01 
3.68 -5.597338361e-01 
3.70 -5.300804662e-01 
3.72 -5.010562507e-01 
3.74 -4.726685290e-01 
3.76 -4.449254020e-01 
3.78 -4.178358405e-01 
3.80 -3.914095429e-01 
3.82 -3.656550470e-01 
3.84 -3.405850726e-01 
3.86 -3.162210761e-01 
3.88 -2.923281081e-01 
3.90 -2.695710867e-01 
3.92 -2.487188732e-01 
3.94 -2.278490026e-01 
3.96 -2.059751226e-01 
3.98 -1.838735033e-01 
4.00 -1.600307938e-01 
4.02 -1.347167297e-01 
4.04 -1.105251368e-01 
4.06 -9.009312948e-02 
4.08 -7.404856381e-02 
4.10 -6.203391103e-02 
4.12 -5.334905296e-02 
4.14 -4.724828504e-02 
4.16 -4.304287736e-02 
4.18 -4.009995023e-02 
4.20 -3.781933029e-02 
4.22 -3.571447889e-02 
4.24 -3.368387382e-02 
4.26 -3.172490973e-02 
4.28 -2.983911916e-02 
4.30 -2.802742054e-02 
4.32 -2.629021501e-02 
4.34 -2.462848348e-02 
4.36 -2.304168650e-02 
4.38 -2.152338823e-02 
4.40 -2.006879651e-02 
4.42 -1.867464917e-02 
4.44 -1.733876381e-02 
4.46 -1.605969556e-02 
4.48 -1.483647954e-02 
4.50 -1.366843953e-02 
4.52 -1.255443577e-02 
4.54 -1.149469322e-02 
4.56 -1.049122578e-02 
4.58 -9.545000731e-03 
4.60 -8.656138600e-03 
4.62 -7.824112345e-03 
4.64 -7.047904335e-03 
4.66 -6.326129678e-03 
4.68 -5.657132715e-03 
4.70 -5.039062163e-03 
4.72 -4.469929333e-03 
4.74 -3.947652934e-03 
4.76 -3.470093303e-03 
4.78 -3.035078308e-03 
4.80 -2.640422729e-03 
4.82 -2.283942549e-03 
4.84 -1.963465283e-03 
4.86 -1.676837265e-03 
4.88 -1.421928576e-03 
4.90 -1.196636209e-03 
4.92 -9.988858695e-04 
4.94 -8.266328020e-04 
4.96 -6.778618688e-04 
4.98 -5.505871169e-04 
5.00 -4.428509820e-04 
5.02 -3.527232542e-04 
5.04 -2.782998999e-04 
5.06 -2.177018086e-04 
5.08 -1.690735191e-04 
5.10 -1.305819616e-04 
5.12 -1.004152443e-04 
5.14 -7.678150412e-05 
5.16 -5.790783410e-05 
5.18 -4.219116992e-05 
5.20 -2.908558493e-05 
5.22 -1.849719559e-05 
5.24 -1.034916342e-05 
5.26 -4.579597962e-06 
5.28 -1.141034132e-06 
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