# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au
# implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2
# composition = AuCu2
# 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  3.851809344e+02 
1.00  3.531089009e+02 
1.02  3.239062895e+02 
1.04  2.972854691e+02 
1.06  2.729823241e+02 
1.08  2.507638174e+02 
1.10  2.304304203e+02 
1.12  2.118087879e+02 
1.14  1.947430555e+02 
1.16  1.790917522e+02 
1.18  1.647275882e+02 
1.20  1.515353816e+02 
1.22  1.394092221e+02 
1.24  1.282520292e+02 
1.26  1.179773269e+02 
1.28  1.085097332e+02 
1.30  9.978304481e+01 
1.32  9.173793384e+01 
1.34  8.432012697e+01 
1.36  7.747895562e+01 
1.38  7.116686068e+01 
1.40  6.533972075e+01 
1.42  5.995721301e+01 
1.44  5.498273411e+01 
1.46  5.038314130e+01 
1.48  4.612858049e+01 
1.50  4.219235383e+01 
1.52  3.855040994e+01 
1.54  3.518050245e+01 
1.56  3.206148528e+01 
1.58  2.917314494e+01 
1.60  2.649659290e+01 
1.62  2.401482432e+01 
1.64  2.171288619e+01 
1.66  1.957803668e+01 
1.68  1.760687856e+01 
1.70  1.579045252e+01 
1.72  1.411708937e+01 
1.74  1.257591069e+01 
1.76  1.115699395e+01 
1.78  9.851349588e+00 
1.80  8.650757080e+00 
1.82  7.547527976e+00 
1.84  6.534359572e+00 
1.86  5.604312649e+00 
1.88  4.750853498e+00 
1.90  3.967890680e+00 
1.92  3.249774543e+00 
1.94  2.591311665e+00 
1.96  1.987758308e+00 
1.98  1.434831518e+00 
2.00  9.287051512e-01 
2.02  4.659808505e-01 
2.04  4.363177263e-02 
2.06 -3.410757128e-01 
2.08 -6.906655423e-01 
2.10 -1.007521684e+00 
2.12 -1.293932797e+00 
2.14 -1.552112928e+00 
2.16 -1.784205049e+00 
2.18 -1.992284769e+00 
2.20 -2.178339969e+00 
2.22 -2.344262572e+00 
2.24 -2.491823859e+00 
2.26 -2.622653451e+00 
2.28 -2.738230155e+00 
2.30 -2.839889828e+00 
2.32 -2.928848493e+00 
2.34 -3.006283962e+00 
2.36 -3.073262664e+00 
2.38 -3.130559947e+00 
2.40 -3.179242204e+00 
2.42 -3.220191454e+00 
2.44 -3.253319781e+00 
2.46 -3.278609607e+00 
2.48 -3.296118903e+00 
2.50 -3.305964872e+00 
2.52 -3.308323220e+00 
2.54 -3.303434216e+00 
2.56 -3.291643986e+00 
2.58 -3.273418566e+00 
2.60 -3.249272246e+00 
2.62 -3.219746013e+00 
2.64 -3.185405931e+00 
2.66 -3.146832273e+00 
2.68 -3.104610968e+00 
2.70 -3.059325013e+00 
2.72 -3.011543009e+00 
2.74 -2.961802265e+00 
2.76 -2.910587092e+00 
2.78 -2.858307092e+00 
2.80 -2.805281691e+00 
2.82 -2.751739204e+00 
2.84 -2.697822917e+00 
2.86 -2.643612640e+00 
2.88 -2.589147304e+00 
2.90 -2.534447542e+00 
2.92 -2.479534342e+00 
2.94 -2.424442468e+00 
2.96 -2.369228667e+00 
2.98 -2.313975321e+00 
3.00 -2.258790261e+00 
3.02 -2.203803254e+00 
3.04 -2.149159556e+00 
3.06 -2.095011085e+00 
3.08 -2.041506123e+00 
3.10 -1.988778967e+00 
3.12 -1.936941147e+00 
3.14 -1.886075584e+00 
3.16 -1.836234383e+00 
3.18 -1.787440146e+00 
3.20 -1.739689955e+00 
3.22 -1.692960931e+00 
3.24 -1.647216253e+00 
3.26 -1.602411083e+00 
3.28 -1.558497318e+00 
3.30 -1.515427813e+00 
3.32 -1.473159359e+00 
3.34 -1.431654721e+00 
3.36 -1.390883755e+00 
3.38 -1.350820918e+00 
3.40 -1.311456515e+00 
3.42 -1.272777168e+00 
3.44 -1.234777546e+00 
3.46 -1.197455235e+00 
3.48 -1.160809092e+00 
3.50 -1.124837727e+00 
3.52 -1.089538231e+00 
3.54 -1.054905235e+00 
3.56 -1.020930368e+00 
3.58 -9.876021285e-01 
3.60 -9.549061946e-01 
3.62 -9.228261644e-01 
3.64 -8.913447234e-01 
3.66 -8.604452014e-01 
3.68 -8.301134628e-01 
3.70 -8.003400209e-01 
3.72 -7.711222073e-01 
3.74 -7.424661567e-01 
3.76 -7.143883047e-01 
3.78 -6.869160650e-01 
3.80 -6.600873832e-01 
3.82 -6.339489733e-01 
3.84 -6.085532344e-01 
3.86 -5.839540885e-01 
3.88 -5.602022190e-01 
3.90 -5.373403470e-01 
3.92 -5.153992099e-01 
3.94 -4.943947780e-01 
3.96 -4.743252553e-01 
3.98 -4.551786976e-01 
4.00 -4.369230624e-01 
4.02 -4.195168067e-01 
4.04 -4.029096661e-01 
4.06 -3.870456310e-01 
4.08 -3.718656718e-01 
4.10 -3.573100421e-01 
4.12 -3.433200992e-01 
4.14 -3.298396687e-01 
4.16 -3.168160263e-01 
4.18 -3.042005974e-01 
4.20 -2.919494712e-01 
4.22 -2.800238143e-01 
4.24 -2.683902462e-01 
4.26 -2.570212059e-01 
4.28 -2.458953153e-01 
4.30 -2.349977075e-01 
4.32 -2.243202673e-01 
4.34 -2.138617052e-01 
4.36 -2.036273817e-01 
4.38 -1.936288034e-01 
4.40 -1.838827377e-01 
4.42 -1.744099376e-01 
4.44 -1.652335242e-01 
4.46 -1.563771352e-01 
4.48 -1.478629954e-01 
4.50 -1.397100948e-01 
4.52 -1.319326527e-01 
4.54 -1.245390129e-01 
4.56 -1.175310530e-01 
4.58 -1.109041241e-01 
4.60 -1.046474669e-01 
4.62 -9.874500842e-02 
4.64 -9.317641227e-02 
4.66 -8.791825668e-02 
4.68 -8.294523114e-02 
4.70 -7.823126723e-02 
4.72 -7.375051270e-02 
4.74 -6.947800259e-02 
4.76 -6.539102050e-02 
4.78 -6.146919763e-02 
4.80 -5.769485121e-02 
4.82 -5.405331366e-02 
4.84 -5.053312631e-02 
4.86 -4.712610808e-02 
4.88 -4.382730364e-02 
4.90 -4.063481176e-02 
4.92 -3.754949463e-02 
4.94 -3.457457261e-02 
4.96 -3.171511647e-02 
4.98 -2.897745881e-02 
5.00 -2.636855578e-02 
5.02 -2.389533958e-02 
5.04 -2.156410693e-02 
5.06 -1.937998489e-02 
5.08 -1.734651087e-02 
5.10 -1.546535051e-02 
5.12 -1.373594814e-02 
5.14 -1.215593413e-02 
5.16 -1.072127887e-02 
5.18 -9.426254284e-03 
5.20 -8.263743385e-03 
5.22 -7.225580879e-03 
5.24 -6.302895371e-03 
5.26 -5.486430184e-03 
5.28 -4.766826819e-03 
5.30 -4.134861916e-03 
5.32 -3.581634473e-03 
5.34 -3.098704529e-03 
5.36 -2.678187627e-03 
5.38 -2.312811128e-03 
5.40 -1.995939168e-03 
5.42 -1.721573043e-03 
5.44 -1.484333270e-03 
5.46 -1.279428758e-03 
5.48 -1.102617633e-03 
5.50 -9.501633217e-04 
5.52 -8.187886846e-04 
5.54 -7.056302275e-04 
5.56 -6.081938485e-04 
5.58 -5.243130607e-04 
5.60 -4.520713831e-04 
5.62 -3.899276063e-04 
5.64 -3.364345055e-04 
5.66 -2.903825701e-04 
5.68 -2.507298172e-04 
5.70 -2.165793814e-04 
5.72 -1.871598444e-04 
5.74 -1.618080465e-04 
5.76 -1.399541204e-04 
5.78 -1.211085024e-04 
5.80 -1.048506869e-04 
5.82 -9.081951243e-05 
5.84 -7.870478479e-05 
5.86 -6.824006352e-05 
5.88 -5.919645855e-05 
5.90 -5.137730008e-05 
5.92 -4.461356248e-05 
5.94 -3.875993783e-05 
5.96 -3.369146843e-05 
5.98 -2.930065952e-05 
6.00 -2.549500445e-05