# 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 = 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 2024-01-04

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  4.431072611e+03 
0.86  4.033095172e+03 
0.88  3.675182686e+03 
0.90  3.352518556e+03 
0.92  3.060593577e+03 
0.94  2.795576453e+03 
0.96  2.554172917e+03 
0.98  2.333751115e+03 
1.00  2.132189226e+03 
1.02  1.947480389e+03 
1.04  1.778858522e+03 
1.06  1.625021896e+03 
1.08  1.484434318e+03 
1.10  1.355764371e+03 
1.12  1.237817245e+03 
1.14  1.129555757e+03 
1.16  1.030015700e+03 
1.18  9.383118319e+02 
1.20  8.536506093e+02 
1.22  7.753073764e+02 
1.24  7.026392105e+02 
1.26  6.351114367e+02 
1.28  5.722223824e+02 
1.30  5.136478695e+02 
1.32  4.590944069e+02 
1.34  4.082826426e+02 
1.36  3.609422822e+02 
1.38  3.168035807e+02 
1.40  2.755989091e+02 
1.42  2.370734816e+02 
1.44  2.010003884e+02 
1.46  1.671637859e+02 
1.48  1.363449008e+02 
1.50  1.104565929e+02 
1.52  8.942741858e+01 
1.54  7.235955336e+01 
1.56  5.849793070e+01 
1.58  4.723136280e+01 
1.60  3.806549039e+01 
1.62  3.060164224e+01 
1.64  2.451864822e+01 
1.66  1.955876748e+01 
1.68  1.551412397e+01 
1.70  1.221662041e+01 
1.72  9.529987594e+00 
1.74  7.343370364e+00 
1.76  5.566807645e+00 
1.78  4.132497799e+00 
1.80  2.959575137e+00 
1.82  2.003121806e+00 
1.84  1.221386987e+00 
1.86  5.803366734e-01 
1.88  5.226674092e-02 
1.90 -3.833904205e-01 
1.92 -7.431656703e-01 
1.94 -1.040630706e+00 
1.96 -1.286985691e+00 
1.98 -1.491532718e+00 
2.00 -1.662054616e+00 
2.02 -1.805120816e+00 
2.04 -1.926167610e+00 
2.06 -2.038267321e+00 
2.08 -2.134382860e+00 
2.10 -2.225219521e+00 
2.12 -2.312103554e+00 
2.14 -2.395475977e+00 
2.16 -2.475039608e+00 
2.18 -2.550410143e+00 
2.20 -2.621129020e+00 
2.22 -2.686780291e+00 
2.24 -2.747061413e+00 
2.26 -2.801653348e+00 
2.28 -2.850240058e+00 
2.30 -2.892743249e+00 
2.32 -2.929217451e+00 
2.34 -2.959708634e+00 
2.36 -2.984253120e+00 
2.38 -3.002878329e+00 
2.40 -3.015603044e+00 
2.42 -3.022454274e+00 
2.44 -3.023422049e+00 
2.46 -3.018447206e+00 
2.48 -3.007469314e+00 
2.50 -2.990514126e+00 
2.52 -2.968096707e+00 
2.54 -2.940923094e+00 
2.56 -2.909764009e+00 
2.58 -2.875400445e+00 
2.60 -2.838605885e+00 
2.62 -2.800146474e+00 
2.64 -2.760733643e+00 
2.66 -2.720619489e+00 
2.68 -2.679829548e+00 
2.70 -2.638389310e+00 
2.72 -2.596325875e+00 
2.74 -2.553667972e+00 
2.76 -2.510445969e+00 
2.78 -2.466664567e+00 
2.80 -2.422430856e+00 
2.82 -2.377774084e+00 
2.84 -2.332757263e+00 
2.86 -2.287443249e+00 
2.88 -2.241862417e+00 
2.90 -2.196020688e+00 
2.92 -2.149940415e+00 
2.94 -2.103648449e+00 
2.96 -2.057173062e+00 
2.98 -2.010543909e+00 
3.00 -1.963791997e+00 
3.02 -1.916949650e+00 
3.04 -1.870050472e+00 
3.06 -1.823129312e+00 
3.08 -1.776222224e+00 
3.10 -1.729366431e+00 
3.12 -1.682600288e+00 
3.14 -1.635963233e+00 
3.16 -1.589495756e+00 
3.18 -1.543239342e+00 
3.20 -1.497236434e+00 
3.22 -1.451530232e+00 
3.24 -1.406164166e+00 
3.26 -1.361182269e+00 
3.28 -1.316629913e+00 
3.30 -1.272553371e+00 
3.32 -1.228999284e+00 
3.34 -1.186014520e+00 
3.36 -1.143646025e+00 
3.38 -1.101940648e+00 
3.40 -1.060944924e+00 
3.42 -1.020704840e+00 
3.44 -9.812655470e-01 
3.46 -9.426710261e-01 
3.48 -9.049617522e-01 
3.50 -8.681422245e-01 
3.52 -8.321853637e-01 
3.54 -7.970600430e-01 
3.56 -7.627310823e-01 
3.58 -7.291608643e-01 
3.60 -6.963176449e-01 
3.62 -6.641661086e-01 
3.64 -6.326620969e-01 
3.66 -6.017676391e-01 
3.68 -5.714820041e-01 
3.70 -5.418110241e-01 
3.72 -5.127608369e-01 
3.74 -4.843408947e-01 
3.76 -4.565573196e-01 
3.78 -4.294143313e-01 
3.80 -4.029376536e-01 
3.82 -3.769037269e-01 
3.84 -3.516816204e-01 
3.86 -3.280875884e-01 
3.88 -3.059304964e-01 
3.90 -2.829196541e-01 
3.92 -2.591474809e-01 
3.94 -2.352736753e-01 
3.96 -2.098435644e-01 
3.98 -1.827981512e-01 
4.00 -1.554633632e-01 
4.02 -1.305915171e-01 
4.04 -1.095630899e-01 
4.06 -9.260004631e-02 
4.08 -7.936370948e-02 
4.10 -6.929856776e-02 
4.12 -6.180788498e-02 
4.14 -5.632579770e-02 
4.16 -5.233242778e-02 
4.18 -4.934341796e-02 
4.20 -4.689320813e-02 
4.22 -4.460069425e-02 
4.24 -4.239015540e-02 
4.26 -4.025990739e-02 
4.28 -3.820827725e-02 
4.30 -3.623360331e-02 
4.32 -3.433423489e-02 
4.34 -3.250853208e-02 
4.36 -3.075486553e-02 
4.38 -2.907161613e-02 
4.40 -2.745717486e-02 
4.42 -2.590994266e-02 
4.44 -2.442832994e-02 
4.46 -2.301075645e-02 
4.48 -2.165565132e-02 
4.50 -2.036145262e-02 
4.52 -1.912660699e-02 
4.54 -1.794956969e-02 
4.56 -1.682880448e-02 
4.58 -1.576278318e-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