# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Mo
# implementation = 2020--Wang-J--Cu-Mo--LAMMPS--ipr1
# composition = Cu2Mo
# 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  nan             
0.86  nan             
0.88  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  7.370622670e+02 
1.06  6.852595526e+02 
1.08  6.369336502e+02 
1.10  5.918583101e+02 
1.12  5.498216548e+02 
1.14  5.106252843e+02 
1.16  4.740834369e+02 
1.18  4.400222002e+02 
1.20  4.082787713e+02 
1.22  3.787007619e+02 
1.24  3.511455461e+02 
1.26  3.254796489e+02 
1.28  3.015781710e+02 
1.30  2.793242504e+02 
1.32  2.586085565e+02 
1.34  2.393288153e+02 
1.36  2.213893643e+02 
1.38  2.047007350e+02 
1.40  1.891792606e+02 
1.42  1.747467090e+02 
1.44  1.613299375e+02 
1.46  1.488605701e+02 
1.48  1.372746939e+02 
1.50  1.265125750e+02 
1.52  1.165183916e+02 
1.54  1.072399846e+02 
1.56  9.862862310e+01 
1.58  9.063878452e+01 
1.60  8.322794908e+01 
1.62  7.635640673e+01 
1.64  6.998707633e+01 
1.66  6.408533624e+01 
1.68  5.861886558e+01 
1.70  5.355749543e+01 
1.72  4.887306955e+01 
1.74  4.453931380e+01 
1.76  4.053171391e+01 
1.78  3.682740097e+01 
1.80  3.340504418e+01 
1.82  3.024475043e+01 
1.84  2.732797033e+01 
1.86  2.463741015e+01 
1.88  2.215694944e+01 
1.90  1.987156390e+01 
1.92  1.776725319e+01 
1.94  1.583097339e+01 
1.96  1.405057380e+01 
1.98  1.241473776e+01 
2.00  1.091292737e+01 
2.02  9.535331682e+00 
2.04  8.272818313e+00 
2.06  7.116888170e+00 
2.08  6.059633103e+00 
2.10  5.093696318e+00 
2.12  4.212235365e+00 
2.14  3.408887537e+00 
2.16  2.677737530e+00 
2.18  2.013287218e+00 
2.20  1.410427408e+00 
2.22  8.644114470e-01 
2.24  3.708305696e-01 
2.26 -7.440913642e-02 
2.28 -4.751082397e-01 
2.30 -8.347940569e-01 
2.32 -1.156739409e+00 
2.34 -1.443980139e+00 
2.36 -1.699331454e+00 
2.38 -1.925403193e+00 
2.40 -2.124614062e+00 
2.42 -2.299204927e+00 
2.44 -2.451251204e+00 
2.46 -2.582674429e+00 
2.48 -2.695253044e+00 
2.50 -2.790632447e+00 
2.52 -2.870334375e+00 
2.54 -2.935765643e+00 
2.56 -2.988226287e+00 
2.58 -3.028917157e+00 
2.60 -3.058946989e+00 
2.62 -3.079338985e+00 
2.64 -3.091036953e+00 
2.66 -3.094911008e+00 
2.68 -3.091762889e+00 
2.70 -3.082330903e+00 
2.72 -3.067294514e+00 
2.74 -3.047278626e+00 
2.76 -3.022857545e+00 
2.78 -2.994558672e+00 
2.80 -2.962865925e+00 
2.82 -2.928222915e+00 
2.84 -2.891035885e+00 
2.86 -2.851676445e+00 
2.88 -2.810484085e+00 
2.90 -2.767768510e+00 
2.92 -2.723811789e+00 
2.94 -2.678870341e+00 
2.96 -2.633176750e+00 
2.98 -2.586941444e+00 
3.00 -2.540354222e+00 
3.02 -2.493585656e+00 
3.04 -2.446788360e+00 
3.06 -2.400098149e+00 
3.08 -2.353635082e+00 
3.10 -2.307504407e+00 
3.12 -2.261797408e+00 
3.14 -2.216592170e+00 
3.16 -2.171954265e+00 
3.18 -2.127937380e+00 
3.20 -2.084583881e+00 
3.22 -2.041925357e+00 
3.24 -1.999983126e+00 
3.26 -1.958768755e+00 
3.28 -1.918284593e+00 
3.30 -1.878524354e+00 
3.32 -1.839473767e+00 
3.34 -1.801111331e+00 
3.36 -1.763409185e+00 
3.38 -1.726334129e+00 
3.40 -1.689848799e+00 
3.42 -1.653913005e+00 
3.44 -1.618485214e+00 
3.46 -1.583524155e+00 
3.48 -1.548990484e+00 
3.50 -1.514848436e+00 
3.52 -1.481067381e+00 
3.54 -1.447623165e+00 
3.56 -1.414499138e+00 
3.58 -1.381686785e+00 
3.60 -1.349185879e+00 
3.62 -1.317004147e+00 
3.64 -1.285156452e+00 
3.66 -1.253663581e+00 
3.68 -1.222550718e+00 
3.70 -1.191845764e+00 
3.72 -1.161577624e+00 
3.74 -1.131774622e+00 
3.76 -1.102463133e+00 
3.78 -1.073666536e+00 
3.80 -1.045404498e+00 
3.82 -1.017692620e+00 
3.84 -9.905423879e-01 
3.86 -9.639613706e-01 
3.88 -9.379536098e-01 
3.90 -9.125201083e-01 
3.92 -8.876593589e-01 
3.94 -8.633678570e-01 
3.96 -8.396405606e-01 
3.98 -8.164712756e-01 
4.00 -7.938529630e-01 
4.02 -7.717779705e-01 
4.04 -7.502382019e-01 
4.06 -7.292252368e-01 
4.08 -7.087304151e-01 
4.10 -6.887448975e-01 
4.12 -6.692597093e-01 
4.14 -6.502657750e-01 
4.16 -6.317539470e-01 
4.18 -6.137150292e-01 
4.20 -5.961397989e-01 
4.22 -5.790190257e-01 
4.24 -5.623434887e-01 
4.26 -5.461039925e-01 
4.28 -5.302913809e-01 
4.30 -5.148965503e-01 
4.32 -4.999104603e-01 
4.34 -4.853241448e-01 
4.36 -4.711287212e-01 
4.38 -4.573153981e-01 
4.40 -4.438754832e-01 
4.42 -4.308003895e-01 
4.44 -4.180816413e-01 
4.46 -4.057108786e-01 
4.48 -3.936798623e-01 
4.50 -3.819804772e-01 
4.52 -3.706047354e-01 
4.54 -3.595447791e-01 
4.56 -3.487928828e-01 
4.58 -3.383414547e-01 
4.60 -3.281830386e-01 
4.62 -3.183103143e-01 
4.64 -3.087160989e-01 
4.66 -2.993933469e-01 
4.68 -2.903351501e-01 
4.70 -2.815347379e-01 
4.72 -2.729854766e-01 
4.74 -2.646808690e-01 
4.76 -2.566145535e-01 
4.78 -2.487803035e-01 
4.80 -2.411720261e-01 
4.82 -2.337837606e-01 
4.84 -2.266096780e-01 
4.86 -2.196440787e-01 
4.88 -2.128813917e-01 
4.90 -2.063161724e-01 
4.92 -1.999431013e-01 
4.94 -1.937569823e-01 
4.96 -1.877527405e-01 
4.98 -1.819254208e-01 
5.00 -1.762701859e-01 
5.02 -1.707823142e-01 
5.04 -1.654571980e-01 
5.06 -1.602903416e-01 
5.08 -1.552773592e-01 
5.10 -1.504139729e-01 
5.12 -1.456799231e-01 
5.14 -1.399951657e-01 
5.16 -1.287134684e-01 
5.18 -1.067623086e-01 
5.20 -9.033998772e-02 
5.22 -8.729196098e-02 
5.24 -8.434316722e-02 
5.26 -8.149051509e-02 
5.28 -7.873100400e-02 
5.30 -7.606172167e-02 
5.32 -7.347984178e-02 
5.34 -7.098262163e-02 
5.36 -6.856739993e-02 
5.38 -6.623159452e-02 
5.40 -6.397270028e-02 
5.42 -6.178828695e-02 
5.44 -5.967599711e-02 
5.46 -5.763354414e-02 
5.48 -5.565871025e-02 
5.50 -5.374934459e-02 
5.52 -5.190336131e-02 
5.54 -5.011873781e-02 
5.56 -4.839351289e-02 
5.58 -4.672578503e-02 
5.60 -4.511371072e-02 
5.62 -4.355550277e-02 
5.64 -4.204942870e-02 
5.66 -4.059380920e-02 
5.68 -3.918701656e-02 
5.70 -3.782747321e-02 
5.72 -3.651365026e-02 
5.74 -3.524406608e-02 
5.76 -3.401728492e-02 
5.78 -3.283191559e-02 
5.80 -3.168661015e-02 
5.82 -3.058006261e-02 
5.84 -2.951100774e-02 
5.86 -2.847821985e-02 
5.88 -2.748051161e-02 
5.90 -2.651673293e-02 
5.92 -2.553062370e-02 
5.94 -2.383702965e-02 
5.96 -1.969137903e-02 
5.98 -1.079560069e-02 
6.00 -1.577762517e-23