# 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 = Re2W
# 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  4.564741528e+03 
0.88  4.101922895e+03 
0.90  3.688133565e+03 
0.92  3.322382482e+03 
0.94  2.998272322e+03 
0.96  2.710266474e+03 
0.98  2.453862852e+03 
1.00  2.225653342e+03 
1.02  2.022076847e+03 
1.04  1.838689860e+03 
1.06  1.673099478e+03 
1.08  1.523457437e+03 
1.10  1.388219014e+03 
1.12  1.265902888e+03 
1.14  1.155126565e+03 
1.16  1.054657081e+03 
1.18  9.633801770e+02 
1.20  8.803025681e+02 
1.22  8.045331163e+02 
1.24  7.355108272e+02 
1.26  6.722268066e+02 
1.28  6.141112589e+02 
1.30  5.609209169e+02 
1.32  5.124192447e+02 
1.34  4.681944944e+02 
1.36  4.277613901e+02 
1.38  3.907047632e+02 
1.40  3.567220604e+02 
1.42  3.255378228e+02 
1.44  2.968885394e+02 
1.46  2.705330678e+02 
1.48  2.462498395e+02 
1.50  2.238750101e+02 
1.52  2.032979746e+02 
1.54  1.844241674e+02 
1.56  1.671396575e+02 
1.58  1.513047104e+02 
1.60  1.367898836e+02 
1.62  1.234815418e+02 
1.64  1.112804596e+02 
1.66  1.001149958e+02 
1.68  8.991478965e+01 
1.70  8.061078434e+01 
1.72  7.213126556e+01 
1.74  6.445000964e+01 
1.76  5.750280980e+01 
1.78  5.116478802e+01 
1.80  4.538498215e+01 
1.82  4.011776406e+01 
1.84  3.531910466e+01 
1.86  3.094841839e+01 
1.88  2.697021154e+01 
1.90  2.335165950e+01 
1.92  2.006403695e+01 
1.94  1.708140380e+01 
1.96  1.438034745e+01 
1.98  1.193970246e+01 
2.00  9.738901885e+00 
2.02  7.756985285e+00 
2.04  5.977644079e+00 
2.06  4.386696594e+00 
2.08  2.970373617e+00 
2.10  1.715147808e+00 
2.12  6.091016951e-01 
2.14 -3.587466633e-01 
2.16 -1.199511713e+00 
2.18 -1.924367356e+00 
2.20 -2.544196764e+00 
2.22 -3.070455733e+00 
2.24 -3.515454335e+00 
2.26 -3.891169529e+00 
2.28 -4.209766947e+00 
2.30 -4.483667889e+00 
2.32 -4.724773303e+00 
2.34 -4.944457976e+00 
2.36 -5.153172306e+00 
2.38 -5.359935708e+00 
2.40 -5.573098369e+00 
2.42 -5.796788327e+00 
2.44 -6.022543633e+00 
2.46 -6.239526405e+00 
2.48 -6.436626139e+00 
2.50 -6.602330277e+00 
2.52 -6.728718224e+00 
2.54 -6.820029867e+00 
2.56 -6.883059125e+00 
2.58 -6.924641593e+00 
2.60 -6.951662207e+00 
2.62 -6.969703545e+00 
2.64 -6.980237563e+00 
2.66 -6.983919288e+00 
2.68 -6.981411006e+00 
2.70 -6.973379880e+00 
2.72 -6.960428867e+00 
2.74 -6.943128361e+00 
2.76 -6.922062438e+00 
2.78 -6.897873362e+00 
2.80 -6.871335656e+00 
2.82 -6.843071269e+00 
2.84 -6.813257164e+00 
2.86 -6.781774363e+00 
2.88 -6.748390632e+00 
2.90 -6.712874109e+00 
2.92 -6.674994570e+00 
2.94 -6.634523544e+00 
2.96 -6.591251201e+00 
2.98 -6.545056831e+00 
3.00 -6.495917141e+00 
3.02 -6.443813048e+00 
3.04 -6.388695538e+00 
3.06 -6.330398559e+00 
3.08 -6.268656878e+00 
3.10 -6.203205034e+00 
3.12 -6.133780236e+00 
3.14 -6.060128280e+00 
3.16 -5.982068308e+00 
3.18 -5.899438206e+00 
3.20 -5.812075065e+00 
3.22 -5.719938597e+00 
3.24 -5.623360730e+00 
3.26 -5.522787101e+00 
3.28 -5.418699605e+00 
3.30 -5.311578456e+00 
3.32 -5.201919881e+00 
3.34 -5.090243959e+00 
3.36 -4.977055078e+00 
3.38 -4.862850582e+00 
3.40 -4.748120527e+00 
3.42 -4.633286564e+00 
3.44 -4.518583958e+00 
3.46 -4.404224258e+00 
3.48 -4.290425345e+00 
3.50 -4.177363866e+00 
3.52 -4.065190453e+00 
3.54 -3.954042922e+00 
3.56 -3.844048223e+00 
3.58 -3.735406399e+00 
3.60 -3.628408724e+00 
3.62 -3.523319049e+00 
3.64 -3.420304564e+00 
3.66 -3.319482942e+00 
3.68 -3.220907076e+00 
3.70 -3.124623959e+00 
3.72 -3.030667063e+00 
3.74 -2.939025493e+00 
3.76 -2.849683855e+00 
3.78 -2.762631328e+00 
3.80 -2.677862250e+00 
3.82 -2.595367013e+00 
3.84 -2.515123218e+00 
3.86 -2.437120953e+00 
3.88 -2.361359196e+00 
3.90 -2.287846284e+00 
3.92 -2.216569972e+00 
3.94 -2.147441203e+00 
3.96 -2.080353035e+00 
3.98 -2.015192050e+00 
4.00 -1.951837397e+00 
4.02 -1.890160928e+00 
4.04 -1.830038878e+00 
4.06 -1.771347828e+00 
4.08 -1.713960913e+00 
4.10 -1.657746997e+00 
4.12 -1.602573324e+00 
4.14 -1.548310952e+00 
4.16 -1.494825593e+00 
4.18 -1.441978746e+00 
4.20 -1.389632524e+00 
4.22 -1.337663048e+00 
4.24 -1.285999327e+00 
4.26 -1.234576444e+00 
4.28 -1.183391569e+00 
4.30 -1.132470757e+00 
4.32 -1.081847792e+00 
4.34 -1.031546606e+00 
4.36 -9.816005540e-01 
4.38 -9.320437327e-01 
4.40 -8.828931107e-01 
4.42 -8.341923966e-01 
4.44 -7.857652229e-01 
4.46 -7.371684643e-01 
4.48 -6.904812416e-01 
4.50 -6.475246401e-01 
4.52 -6.071458708e-01 
4.54 -5.639283548e-01 
4.56 -5.156367320e-01 
4.58 -4.638970180e-01 
4.60 -4.100603638e-01 
4.62 -3.534423585e-01 
4.64 -2.947641882e-01 
4.66 -2.358861249e-01 
4.68 -1.811498528e-01 
4.70 -1.337083668e-01 
4.72 -9.458794564e-02 
4.74 -6.361481717e-02 
4.76 -4.001237951e-02 
4.78 -2.276173819e-02 
4.80 -1.079880637e-02 
4.82 -3.103834761e-03 
4.84  1.273789730e-03 
4.86  3.221973993e-03 
4.88  3.586457034e-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