# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu
# implementation = 2004--Zhou-X-W--Ta-Cu--LAMMPS--ipr2
# composition = CuTa2
# 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  6.203237493e+02 
1.00  5.694711773e+02 
1.02  5.231306731e+02 
1.04  4.808418678e+02 
1.06  4.421914861e+02 
1.08  4.068193032e+02 
1.10  3.744095142e+02 
1.12  3.446782910e+02 
1.14  3.173691467e+02 
1.16  2.922560376e+02 
1.18  2.691452437e+02 
1.20  2.478703160e+02 
1.22  2.282833370e+02 
1.24  2.102482628e+02 
1.26  1.936382568e+02 
1.28  1.783354189e+02 
1.30  1.642310973e+02 
1.32  1.512259610e+02 
1.34  1.392293902e+02 
1.36  1.281583731e+02 
1.38  1.179367785e+02 
1.40  1.084953639e+02 
1.42  9.977170507e+01 
1.44  9.170918920e+01 
1.46  8.425525517e+01 
1.48  7.735981065e+01 
1.50  7.097463405e+01 
1.52  6.505391886e+01 
1.54  5.955547693e+01 
1.56  5.444186320e+01 
1.58  4.968091949e+01 
1.60  4.524563283e+01 
1.62  4.111345580e+01 
1.64  3.726532540e+01 
1.66  3.368463980e+01 
1.68  3.035640975e+01 
1.70  2.726665615e+01 
1.72  2.440199359e+01 
1.74  2.174932276e+01 
1.76  1.929562289e+01 
1.78  1.702788956e+01 
1.80  1.493323792e+01 
1.82  1.300345723e+01 
1.84  1.123398341e+01 
1.86  9.612811223e+00 
1.88  8.128519038e+00 
1.90  6.770349213e+00 
1.92  5.528097860e+00 
1.94  4.392041548e+00 
1.96  3.352910820e+00 
1.98  2.402040338e+00 
2.00  1.531465932e+00 
2.02  7.340418697e-01 
2.04  3.536110864e-03 
2.06 -6.653450010e-01 
2.08 -1.277019222e+00 
2.10 -1.835164581e+00 
2.12 -2.342891941e+00 
2.14 -2.802912705e+00 
2.16 -3.217675833e+00 
2.18 -3.589467281e+00 
2.20 -3.920484289e+00 
2.22 -4.212898691e+00 
2.24 -4.468922401e+00 
2.26 -4.690878152e+00 
2.28 -4.881266993e+00 
2.30 -5.042814319e+00 
2.32 -5.178469767e+00 
2.34 -5.291254824e+00 
2.36 -5.384000610e+00 
2.38 -5.460267331e+00 
2.40 -5.523328670e+00 
2.42 -5.575904244e+00 
2.44 -5.620112199e+00 
2.46 -5.657473128e+00 
2.48 -5.688423945e+00 
2.50 -5.712680043e+00 
2.52 -5.730075806e+00 
2.54 -5.740560767e+00 
2.56 -5.744170593e+00 
2.58 -5.741010579e+00 
2.60 -5.731244757e+00 
2.62 -5.715088924e+00 
2.64 -5.692803999e+00 
2.66 -5.664688915e+00 
2.68 -5.631071744e+00 
2.70 -5.592298155e+00 
2.72 -5.548716920e+00 
2.74 -5.500663435e+00 
2.76 -5.448443555e+00 
2.78 -5.392320767e+00 
2.80 -5.332509660e+00 
2.82 -5.269175992e+00 
2.84 -5.202443600e+00 
2.86 -5.132405009e+00 
2.88 -5.059172237e+00 
2.90 -4.983017800e+00 
2.92 -4.903862775e+00 
2.94 -4.821600336e+00 
2.96 -4.736163462e+00 
2.98 -4.647517892e+00 
3.00 -4.555654475e+00 
3.02 -4.460581963e+00 
3.04 -4.362321261e+00 
3.06 -4.260902087e+00 
3.08 -4.156368474e+00 
3.10 -4.048794722e+00 
3.12 -3.938274689e+00 
3.14 -3.824929030e+00 
3.16 -3.708919638e+00 
3.18 -3.590465587e+00 
3.20 -3.469858567e+00 
3.22 -3.347476087e+00 
3.24 -3.223788455e+00 
3.26 -3.099359151e+00 
3.28 -2.974835210e+00 
3.30 -2.850927600e+00 
3.32 -2.728382255e+00 
3.34 -2.607944009e+00 
3.36 -2.490318527e+00 
3.38 -2.376133305e+00 
3.40 -2.265906937e+00 
3.42 -2.160026401e+00 
3.44 -2.058735831e+00 
3.46 -1.962136706e+00 
3.48 -1.870198089e+00 
3.50 -1.782774525e+00 
3.52 -1.699628742e+00 
3.54 -1.620456426e+00 
3.56 -1.544910785e+00 
3.58 -1.472625306e+00 
3.60 -1.403233745e+00 
3.62 -1.336386950e+00 
3.64 -1.271766474e+00 
3.66 -1.209095156e+00 
3.68 -1.148144887e+00 
3.70 -1.088741747e+00 
3.72 -1.030768604e+00 
3.74 -9.741651883e-01 
3.76 -9.189256128e-01 
3.78 -8.650933411e-01 
3.80 -8.127537176e-01 
3.82 -7.620243584e-01 
3.84 -7.130439211e-01 
3.86 -6.659599790e-01 
3.88 -6.209168733e-01 
3.90 -5.780444624e-01 
3.92 -5.374483762e-01 
3.94 -4.992038213e-01 
3.96 -4.633496871e-01 
3.98 -4.298879627e-01 
4.00 -3.987844024e-01 
4.02 -3.699715738e-01 
4.04 -3.433534406e-01 
4.06 -3.188108744e-01 
4.08 -2.962075352e-01 
4.10 -2.753956590e-01 
4.12 -2.562214195e-01 
4.14 -2.385296584e-01 
4.16 -2.221678928e-01 
4.18 -2.069895985e-01 
4.20 -1.928568273e-01 
4.22 -1.796422491e-01 
4.24 -1.672307175e-01 
4.26 -1.555204455e-01 
4.28 -1.444238481e-01 
4.30 -1.338680783e-01 
4.32 -1.237952390e-01 
4.34 -1.141622275e-01 
4.36 -1.049401435e-01 
4.38 -9.611320390e-02 
4.40 -8.767712636e-02 
4.42 -7.963694528e-02 
4.44 -7.200424774e-02 
4.46 -6.479504984e-02 
4.48 -5.802637581e-02 
4.50 -5.171347492e-02 
4.52 -4.586756686e-02 
4.54 -4.049414566e-02 
4.56 -3.559198569e-02 
4.58 -3.115285314e-02 
4.60 -2.716151584e-02 
4.62 -2.359678394e-02 
4.64 -2.043379997e-02 
4.66 -1.764413379e-02 
4.68 -1.519712831e-02 
4.70 -1.306117845e-02 
4.72 -1.120481552e-02 
4.74 -9.597564419e-03 
4.76 -8.210572315e-03 
4.78 -7.017027462e-03 
4.80 -5.992399045e-03 
4.82 -5.114533150e-03 
4.84 -4.363639697e-03 
4.86 -3.722201719e-03 
4.88 -3.174833445e-03 
4.90 -2.708108282e-03 
4.92 -2.310372776e-03 
4.94 -1.971558221e-03 
4.96 -1.682997912e-03 
4.98 -1.437255166e-03 
5.00 -1.227965075e-03 
5.02 -1.049691379e-03 
5.04 -8.977987408e-04 
5.06 -7.683399712e-04 
5.08 -6.579572892e-04 
5.10 -5.637964862e-04 
5.12 -4.834327144e-04 
5.14 -4.148066173e-04 
5.16 -3.561695645e-04 
5.18 -3.060368369e-04 
5.20 -2.631477047e-04 
5.22 -2.264314480e-04 
5.24 -1.949784798e-04 
5.26 -1.680158361e-04 
5.28 -1.448863921e-04 
5.30 -1.250312478e-04 
5.32 -1.079748071e-04 
5.34 -9.331214356e-05 
5.36 -8.069830208e-05 
5.38 -6.983924118e-05 
5.40 -6.048416227e-05 
5.42 -5.241901325e-05 
5.44 -4.546098490e-05 
5.46 -3.945384637e-05 
5.48 -3.426399047e-05 
5.50 -2.977707927e-05 
5.52 -2.589519754e-05 
5.54 -2.244217699e-05 
5.56 -1.954118550e-05 
5.58 -1.702635917e-05 
5.60 -1.484481835e-05 
5.62 -1.295112323e-05 
5.64 -1.130619990e-05 
5.66 -9.876425202e-06 
5.68 -8.632846375e-06 
5.70 -7.550515156e-06 
5.72 -6.607919189e-06 
5.74 -5.786496202e-06 
5.76 -5.070218634e-06 
5.78 -4.445238214e-06 
5.80 -3.899581656e-06 
5.82 -3.422889944e-06 
5.84 -3.006194812e-06 
5.86 -2.641726967e-06 
5.88 -2.322751445e-06 
5.90 -2.043426171e-06 
5.92 -1.798680367e-06 
5.94 -1.584109952e-06 
5.96 -1.395887489e-06 
5.98 -1.230684635e-06 
6.00 -1.085605280e-06