# 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 = 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 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  6.675342459e+03 
0.86  6.099645489e+03 
0.88  5.576558149e+03 
0.90  5.100191103e+03 
0.92  4.665451847e+03 
0.94  4.267645663e+03 
0.96  3.902801947e+03 
0.98  3.567808882e+03 
1.00  3.259931878e+03 
1.02  2.976776261e+03 
1.04  2.716156052e+03 
1.06  2.476177485e+03 
1.08  2.255210718e+03 
1.10  2.051698598e+03 
1.12  1.864130754e+03 
1.14  1.691106478e+03 
1.16  1.531291783e+03 
1.18  1.383439164e+03 
1.20  1.246386834e+03 
1.22  1.119032787e+03 
1.24  1.000458488e+03 
1.26  8.897868674e+02 
1.28  7.862874862e+02 
1.30  6.894520044e+02 
1.32  5.988507676e+02 
1.34  5.140761342e+02 
1.36  4.347235876e+02 
1.38  3.603803402e+02 
1.40  2.920813382e+02 
1.42  2.339424458e+02 
1.44  1.867921108e+02 
1.46  1.490883598e+02 
1.48  1.188743117e+02 
1.50  9.463687133e+01 
1.52  7.520868705e+01 
1.54  5.965317388e+01 
1.56  4.721020777e+01 
1.58  3.726377488e+01 
1.60  2.931614073e+01 
1.62  2.296700602e+01 
1.64  1.789536058e+01 
1.66  1.384537273e+01 
1.68  1.061349179e+01 
1.70  8.037336067e+00 
1.72  5.986516897e+00 
1.74  4.356103563e+00 
1.76  3.062051507e+00 
1.78  2.036066501e+00 
1.80  1.214151232e+00 
1.82  5.514919046e-01 
1.84  1.709364466e-02 
1.86 -4.136626222e-01 
1.88 -7.611428750e-01 
1.90 -1.040772447e+00 
1.92 -1.264668497e+00 
1.94 -1.444690856e+00 
1.96 -1.591869637e+00 
1.98 -1.715567017e+00 
2.00 -1.823805326e+00 
2.02 -1.922611245e+00 
2.04 -2.015652209e+00 
2.06 -2.104450550e+00 
2.08 -2.189724963e+00 
2.10 -2.271908044e+00 
2.12 -2.351178538e+00 
2.14 -2.427369475e+00 
2.16 -2.500130703e+00 
2.18 -2.569028348e+00 
2.20 -2.633771977e+00 
2.22 -2.694225315e+00 
2.24 -2.750362711e+00 
2.26 -2.802130743e+00 
2.28 -2.849236483e+00 
2.30 -2.891547731e+00 
2.32 -2.929188433e+00 
2.34 -2.962274045e+00 
2.36 -2.990933138e+00 
2.38 -3.015286767e+00 
2.40 -3.035236784e+00 
2.42 -3.050691732e+00 
2.44 -3.061770201e+00 
2.46 -3.068571624e+00 
2.48 -3.071155341e+00 
2.50 -3.069577164e+00 
2.52 -3.063889328e+00 
2.54 -3.054150639e+00 
2.56 -3.040448528e+00 
2.58 -3.022870103e+00 
2.60 -3.001442244e+00 
2.62 -2.976194278e+00 
2.64 -2.947377619e+00 
2.66 -2.915287426e+00 
2.68 -2.880221901e+00 
2.70 -2.842482366e+00 
2.72 -2.802380926e+00 
2.74 -2.760253285e+00 
2.76 -2.716440068e+00 
2.78 -2.671283385e+00 
2.80 -2.625126100e+00 
2.82 -2.578312894e+00 
2.84 -2.531190074e+00 
2.86 -2.484105303e+00 
2.88 -2.437300879e+00 
2.90 -2.390735884e+00 
2.92 -2.344351808e+00 
2.94 -2.298097713e+00 
2.96 -2.251924113e+00 
2.98 -2.205782944e+00 
3.00 -2.159627536e+00 
3.02 -2.113412582e+00 
3.04 -2.067094105e+00 
3.06 -2.020629429e+00 
3.08 -1.973977137e+00 
3.10 -1.927097040e+00 
3.12 -1.879950133e+00 
3.14 -1.832498551e+00 
3.16 -1.784705521e+00 
3.18 -1.736535305e+00 
3.20 -1.687953139e+00 
3.22 -1.638937252e+00 
3.24 -1.589560888e+00 
3.26 -1.539942185e+00 
3.28 -1.490201507e+00 
3.30 -1.440460354e+00 
3.32 -1.390840326e+00 
3.34 -1.341462893e+00 
3.36 -1.292449119e+00 
3.38 -1.243919343e+00 
3.40 -1.195992791e+00 
3.42 -1.148787134e+00 
3.44 -1.102414645e+00 
3.46 -1.056942067e+00 
3.48 -1.012402728e+00 
3.50 -9.688249591e-01 
3.52 -9.262316909e-01 
3.54 -8.846391983e-01 
3.56 -8.440556691e-01 
3.58 -8.044794776e-01 
3.60 -7.658971553e-01 
3.62 -7.282807722e-01 
3.64 -6.915850211e-01 
3.66 -6.557622028e-01 
3.68 -6.208022055e-01 
3.70 -5.867027243e-01 
3.72 -5.534619978e-01 
3.74 -5.210790039e-01 
3.76 -4.895533799e-01 
3.78 -4.588860003e-01 
3.80 -4.290795421e-01 
3.82 -4.001371906e-01 
3.84 -3.720452570e-01 
3.86 -3.447700234e-01 
3.88 -3.180422588e-01 
3.90 -2.934106363e-01 
3.92 -2.714053466e-01 
3.94 -2.481462991e-01 
3.96 -2.218315566e-01 
3.98 -1.936564471e-01 
4.00 -1.653358938e-01 
4.02 -1.379268364e-01 
4.04 -1.130616718e-01 
4.06 -9.241914353e-02 
4.08 -7.626845138e-02 
4.10 -6.414021590e-02 
4.12 -5.532284250e-02 
4.14 -4.908509855e-02 
4.16 -4.475391226e-02 
4.18 -4.169959476e-02 
4.20 -3.931642370e-02 
4.22 -3.711308903e-02 
4.24 -3.498665375e-02 
4.26 -3.293243232e-02 
4.28 -3.094922391e-02 
4.30 -2.903648401e-02 
4.32 -2.719405099e-02 
4.34 -2.542187449e-02 
4.36 -2.371996458e-02 
4.38 -2.208862329e-02 
4.40 -2.052792870e-02 
4.42 -1.903769535e-02 
4.44 -1.761747598e-02 
4.46 -1.626657111e-02 
4.48 -1.498404379e-02 
4.50 -1.376873763e-02 
4.52 -1.261898691e-02 
4.54 -1.153361267e-02 
4.56 -1.051219292e-02 
4.58 -9.553671478e-03 
4.60 -8.656502135e-03 
4.62 -7.818982254e-03 
4.64 -7.039349911e-03 
4.66 -6.315655430e-03 
4.68 -5.645811937e-03 
4.70 -5.027641338e-03 
4.72 -4.458909435e-03 
4.74 -3.937352469e-03 
4.76 -3.460696952e-03 
4.78 -3.026674258e-03 
4.80 -2.633031124e-03 
4.82 -2.277537017e-03 
4.84 -1.957989067e-03 
4.86 -1.672215171e-03 
4.88 -1.418075707e-03 
4.90 -1.193464220e-03 
4.92 -9.963073489e-04 
4.94 -8.245642265e-04 
4.96 -6.762254972e-04 
4.98 -5.493120966e-04 
5.00 -4.418738816e-04 
5.02 -3.519881852e-04 
5.04 -2.777583514e-04 
5.06 -2.173122887e-04 
5.08 -1.688010715e-04 
5.10 -1.303976084e-04 
5.12 -1.002953925e-04 
5.14 -7.670734051e-05 
5.16 -5.786472676e-05 
5.18 -4.216808663e-05 
5.20 -2.907453551e-05 
5.22 -1.849270066e-05 
5.24 -1.034775002e-05 
5.26 -4.579320320e-06 
5.28 -1.141016864e-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