# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Castin-N-Bullens-J-et-al--Fe-Cr-W
# implementation = 2013--Bonny-G--Fe-Cr-W--LAMMPS--ipr1
# composition = FeW2
# 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  3.267049111e+03 
0.86  3.004998570e+03 
0.88  2.767704608e+03 
0.90  2.552451232e+03 
0.92  2.356777712e+03 
0.94  2.178755862e+03 
0.96  2.016563601e+03 
0.98  1.868441793e+03 
1.00  1.732782805e+03 
1.02  1.608003904e+03 
1.04  1.492670469e+03 
1.06  1.385487710e+03 
1.08  1.285633131e+03 
1.10  1.192537476e+03 
1.12  1.105704683e+03 
1.14  1.024717725e+03 
1.16  9.491777740e+02 
1.18  8.786358678e+02 
1.20  8.127956802e+02 
1.22  7.514103385e+02 
1.24  6.942466770e+02 
1.26  6.410725016e+02 
1.28  5.915925255e+02 
1.30  5.455187050e+02 
1.32  5.026289608e+02 
1.34  4.627061626e+02 
1.36  4.255371936e+02 
1.38  3.909196276e+02 
1.40  3.586587745e+02 
1.42  3.285656417e+02 
1.44  3.004663514e+02 
1.46  2.742389953e+02 
1.48  2.497874963e+02 
1.50  2.270232208e+02 
1.52  2.058608095e+02 
1.54  1.862185591e+02 
1.56  1.680208115e+02 
1.58  1.512056715e+02 
1.60  1.357189322e+02 
1.62  1.215049311e+02 
1.64  1.084991369e+02 
1.66  9.662110138e+01 
1.68  8.580711561e+01 
1.70  7.599423624e+01 
1.72  6.712062412e+01 
1.74  5.912715736e+01 
1.76  5.195194008e+01 
1.78  4.553391455e+01 
1.80  3.981322538e+01 
1.82  3.473111497e+01 
1.84  3.023018272e+01 
1.86  2.625653252e+01 
1.88  2.275864939e+01 
1.90  1.968601180e+01 
1.92  1.698953643e+01 
1.94  1.462190301e+01 
1.96  1.253573825e+01 
1.98  1.068459132e+01 
2.00  9.019281308e+00 
2.02  7.479268495e+00 
2.04  6.047386712e+00 
2.06  4.718306159e+00 
2.08  3.487372731e+00 
2.10  2.350177250e+00 
2.12  1.302551008e+00 
2.14  3.405598080e-01 
2.16 -5.395015224e-01 
2.18 -1.341114211e+00 
2.20 -2.067539747e+00 
2.22 -2.720708926e+00 
2.24 -3.303343558e+00 
2.26 -3.820497553e+00 
2.28 -4.277153864e+00 
2.30 -4.678370592e+00 
2.32 -5.029127170e+00 
2.34 -5.334220802e+00 
2.36 -5.598301395e+00 
2.38 -5.825847347e+00 
2.40 -6.020925659e+00 
2.42 -6.187005535e+00 
2.44 -6.326669578e+00 
2.46 -6.441968217e+00 
2.48 -6.534865722e+00 
2.50 -6.607246712e+00 
2.52 -6.660916442e+00 
2.54 -6.697601068e+00 
2.56 -6.718947884e+00 
2.58 -6.726524563e+00 
2.60 -6.721784078e+00 
2.62 -6.706113067e+00 
2.64 -6.681076528e+00 
2.66 -6.648234640e+00 
2.68 -6.609070707e+00 
2.70 -6.564857500e+00 
2.72 -6.514338142e+00 
2.74 -6.457608017e+00 
2.76 -6.395503479e+00 
2.78 -6.327743762e+00 
2.80 -6.253431526e+00 
2.82 -6.171853400e+00 
2.84 -6.087422852e+00 
2.86 -6.001959354e+00 
2.88 -5.915388981e+00 
2.90 -5.827642149e+00 
2.92 -5.738662202e+00 
2.94 -5.648395057e+00 
2.96 -5.556786800e+00 
2.98 -5.463783705e+00 
3.00 -5.369332247e+00 
3.02 -5.273379129e+00 
3.04 -5.175871303e+00 
3.06 -5.076756000e+00 
3.08 -4.975980757e+00 
3.10 -4.873493461e+00 
3.12 -4.769242442e+00 
3.14 -4.663219326e+00 
3.16 -4.555534625e+00 
3.18 -4.446319688e+00 
3.20 -4.335706499e+00 
3.22 -4.223827659e+00 
3.24 -4.110816091e+00 
3.26 -3.996805598e+00 
3.28 -3.881932661e+00 
3.30 -3.766335815e+00 
3.32 -3.650154853e+00 
3.34 -3.533531036e+00 
3.36 -3.416607355e+00 
3.38 -3.299528859e+00 
3.40 -3.182443056e+00 
3.42 -3.065500409e+00 
3.44 -2.948854963e+00 
3.46 -2.832665130e+00 
3.48 -2.717094688e+00 
3.50 -2.602312101e+00 
3.52 -2.488448890e+00 
3.54 -2.375601808e+00 
3.56 -2.263878980e+00 
3.58 -2.153405698e+00 
3.60 -2.044329538e+00 
3.62 -1.936827390e+00 
3.64 -1.831115031e+00 
3.66 -1.727460482e+00 
3.68 -1.626202434e+00 
3.70 -1.527776332e+00 
3.72 -1.432750265e+00 
3.74 -1.341872975e+00 
3.76 -1.256137785e+00 
3.78 -1.176850466e+00 
3.80 -1.105693055e+00 
3.82 -1.043632607e+00 
3.84 -9.846055329e-01 
3.86 -9.272782928e-01 
3.88 -8.709566989e-01 
3.90 -8.193374362e-01 
3.92 -7.738970732e-01 
3.94 -7.253105363e-01 
3.96 -6.686322049e-01 
3.98 -6.047635215e-01 
4.00 -5.414085001e-01 
4.02 -4.840985977e-01 
4.04 -4.348041126e-01 
4.06 -3.935700950e-01 
4.08 -3.595294133e-01 
4.10 -3.314815424e-01 
4.12 -3.081842028e-01 
4.14 -2.884687478e-01 
4.16 -2.712590717e-01 
4.18 -2.555480867e-01 
4.20 -2.403648713e-01 
4.22 -2.248949555e-01 
4.24 -2.089078268e-01 
4.26 -1.923567160e-01 
4.28 -1.752198267e-01 
4.30 -1.578499995e-01 
4.32 -1.413259356e-01 
4.34 -1.161490895e-01 
4.36 -9.017541697e-02 
4.38 -7.250829080e-02 
4.40 -6.376071535e-02 
4.42 -5.919348203e-02 
4.44 -5.458254892e-02 
4.46 -4.996861590e-02 
4.48 -4.539300862e-02 
4.50 -4.089705273e-02 
4.52 -3.652207388e-02 
4.54 -3.230939773e-02 
4.56 -2.830034993e-02 
4.58 -2.453625613e-02 
4.60 -2.105844199e-02 
4.62 -1.790580204e-02 
4.64 -1.508422590e-02 
4.66 -1.257581707e-02 
4.68 -1.036215396e-02 
4.70 -8.424814953e-03 
4.72 -6.745378444e-03 
4.74 -5.305422828e-03 
4.76 -4.086526495e-03 
4.78 -3.070267840e-03 
4.80 -2.238225255e-03 
4.82 -1.571977134e-03 
4.84 -1.053101869e-03 
4.86 -6.631778534e-04 
4.88 -3.837834800e-04 
4.90 -1.964971418e-04 
4.92 -8.289723169e-05 
4.94 -2.456214273e-05 
4.96 -3.070267843e-06 
4.98  5.381494563e-12 
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