# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2018--Chen-Y-Li-Y-H-Gao-N-et-al--W-Re
# implementation = 2018--Chen-Y--W-Re--LAMMPS--ipr1
# composition = ReW2
# 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 2022-12-14

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  nan             
0.86  4.488278822e+03 
0.88  4.039872073e+03 
0.90  3.641640582e+03 
0.92  3.288266975e+03 
0.94  2.973556008e+03 
0.96  2.692586845e+03 
0.98  2.441758206e+03 
1.00  2.217996452e+03 
1.02  2.017548295e+03 
1.04  1.836344373e+03 
1.06  1.672187889e+03 
1.08  1.523426813e+03 
1.10  1.388669353e+03 
1.12  1.266533152e+03 
1.14  1.155706333e+03 
1.16  1.055023622e+03 
1.18  9.634186037e+02 
1.20  8.799185181e+02 
1.22  8.036612880e+02 
1.24  7.341159914e+02 
1.26  6.704889603e+02 
1.28  6.122403805e+02 
1.30  5.590523176e+02 
1.32  5.106193780e+02 
1.34  4.664968650e+02 
1.36  4.261849212e+02 
1.38  3.892510957e+02 
1.40  3.553696714e+02 
1.42  3.242460593e+02 
1.44  2.956078297e+02 
1.46  2.692060149e+02 
1.48  2.448131895e+02 
1.50  2.222864637e+02 
1.52  2.015589416e+02 
1.54  1.825768677e+02 
1.56  1.652408525e+02 
1.58  1.493961834e+02 
1.60  1.348972234e+02 
1.62  1.216232942e+02 
1.64  1.094903880e+02 
1.66  9.841713188e+01 
1.68  8.831959087e+01 
1.70  7.912107724e+01 
1.72  7.074291684e+01 
1.74  6.312309861e+01 
1.76  5.620606549e+01 
1.78  4.992201120e+01 
1.80  4.421567883e+01 
1.82  3.903772525e+01 
1.84  3.434158725e+01 
1.86  3.008371283e+01 
1.88  2.622505548e+01 
1.90  2.272976204e+01 
1.92  1.956632930e+01 
1.94  1.670634951e+01 
1.96  1.412389804e+01 
1.98  1.179486151e+01 
2.00  9.694326171e+00 
2.02  7.796707973e+00 
2.04  6.080850047e+00 
2.06  4.527503495e+00 
2.08  3.117792420e+00 
2.10  1.837186038e+00 
2.12  6.857110351e-01 
2.14 -3.337222758e-01 
2.16 -1.218256904e+00 
2.18 -1.966404354e+00 
2.20 -2.589772223e+00 
2.22 -3.107527191e+00 
2.24 -3.539299570e+00 
2.26 -3.904130451e+00 
2.28 -4.217952112e+00 
2.30 -4.492719406e+00 
2.32 -4.739607248e+00 
2.34 -4.969284533e+00 
2.36 -5.191667513e+00 
2.38 -5.415892679e+00 
2.40 -5.650558514e+00 
2.42 -5.900016113e+00 
2.44 -6.155867328e+00 
2.46 -6.406732422e+00 
2.48 -6.640662411e+00 
2.50 -6.845300698e+00 
2.52 -7.011877632e+00 
2.54 -7.143683263e+00 
2.56 -7.246456796e+00 
2.58 -7.325944009e+00 
2.60 -7.388110351e+00 
2.62 -7.437971354e+00 
2.64 -7.476735023e+00 
2.66 -7.504838726e+00 
2.68 -7.522708538e+00 
2.70 -7.530756433e+00 
2.72 -7.529315639e+00 
2.74 -7.518690907e+00 
2.76 -7.499196636e+00 
2.78 -7.471250504e+00 
2.80 -7.435814842e+00 
2.82 -7.394087722e+00 
2.84 -7.346838557e+00 
2.86 -7.294527537e+00 
2.88 -7.237504087e+00 
2.90 -7.176132310e+00 
2.92 -7.110781787e+00 
2.94 -7.041825417e+00 
2.96 -6.969620995e+00 
2.98 -6.894376471e+00 
3.00 -6.816292945e+00 
3.02 -6.735569463e+00 
3.04 -6.652341846e+00 
3.06 -6.566654702e+00 
3.08 -6.478497493e+00 
3.10 -6.387862830e+00 
3.12 -6.294751038e+00 
3.14 -6.199119689e+00 
3.16 -6.100830805e+00 
3.18 -5.999739397e+00 
3.20 -5.895708691e+00 
3.22 -5.788723414e+00 
3.24 -5.679063580e+00 
3.26 -5.567083835e+00 
3.28 -5.453173001e+00 
3.30 -5.337716878e+00 
3.32 -5.221102287e+00 
3.34 -5.103738543e+00 
3.36 -4.986032195e+00 
3.38 -4.868387800e+00 
3.40 -4.751207816e+00 
3.42 -4.634831805e+00 
3.44 -4.519418801e+00 
3.46 -4.405110355e+00 
3.48 -4.292062767e+00 
3.50 -4.180411444e+00 
3.52 -4.070279489e+00 
3.54 -3.961785601e+00 
3.56 -3.855044348e+00 
3.58 -3.750184555e+00 
3.60 -3.647353273e+00 
3.62 -3.546662993e+00 
3.64 -3.448125707e+00 
3.66 -3.351742222e+00 
3.68 -3.257558437e+00 
3.70 -3.165627810e+00 
3.72 -3.075983912e+00 
3.74 -2.988608770e+00 
3.76 -2.903471811e+00 
3.78 -2.820537890e+00 
3.80 -2.739766710e+00 
3.82 -2.661102113e+00 
3.84 -2.584455028e+00 
3.86 -2.509726559e+00 
3.88 -2.436809669e+00 
3.90 -2.365588013e+00 
3.92 -2.295950933e+00 
3.94 -2.227821845e+00 
3.96 -2.161126263e+00 
3.98 -2.095784741e+00 
4.00 -2.031711562e+00 
4.02 -1.968811266e+00 
4.04 -1.906993126e+00 
4.06 -1.846169559e+00 
4.08 -1.786252665e+00 
4.10 -1.727153804e+00 
4.12 -1.668787202e+00 
4.14 -1.611075905e+00 
4.16 -1.553943432e+00 
4.18 -1.497311065e+00 
4.20 -1.441096395e+00 
4.22 -1.385238610e+00 
4.24 -1.329740439e+00 
4.26 -1.274614764e+00 
4.28 -1.219889324e+00 
4.30 -1.165601626e+00 
4.32 -1.111790568e+00 
4.34 -1.058486777e+00 
4.36 -1.005738425e+00 
4.38 -9.535710399e-01 
4.40 -9.020278325e-01 
4.42 -8.511285446e-01 
4.44 -8.007658941e-01 
4.46 -7.502991043e-01 
4.48 -7.019983154e-01 
4.50 -6.578767240e-01 
4.52 -6.167717718e-01 
4.54 -5.727550220e-01 
4.56 -5.233352578e-01 
4.58 -4.699578395e-01 
4.60 -4.140601095e-01 
4.62 -3.555843931e-01 
4.64 -2.956108170e-01 
4.66 -2.360777006e-01 
4.68 -1.810985495e-01 
4.70 -1.336020019e-01 
4.72 -9.449773917e-02 
4.74 -6.355701812e-02 
4.76 -3.998178989e-02 
4.78 -2.274822160e-02 
4.80 -1.079394717e-02 
4.82 -3.102502517e-03 
4.84  1.274033150e-03 
4.86  3.221995648e-03 
4.88  3.586457374e-03 
4.90  3.191823356e-03 
4.92  2.718761531e-03 
4.94  2.299474018e-03 
4.96  1.929420432e-03 
4.98  1.604060400e-03 
5.00  1.318854774e-03 
5.02  1.069798297e-03 
5.04  8.542535771e-04 
5.06  6.697992004e-04 
5.08  5.140137514e-04 
5.10  3.844758151e-04 
5.12  2.787639765e-04 
5.14  1.944568204e-04 
5.16  1.291329319e-04 
5.18  8.037089581e-05 
5.20  4.574929720e-05 
5.22  2.284672097e-05 
5.24  9.241752080e-06 
5.26  2.512975481e-06 
5.28  2.389761200e-07 
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