# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr
# implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1
# composition = PtTi2
# 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 2024-04-11

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  nan             
1.06  nan             
1.08  nan             
1.10  nan             
1.12  nan             
1.14  3.934230604e+02 
1.16  3.648445012e+02 
1.18  3.384779900e+02 
1.20  3.141224172e+02 
1.22  2.915875782e+02 
1.24  2.707056501e+02 
1.26  2.513313646e+02 
1.28  2.333366846e+02 
1.30  2.166092226e+02 
1.32  2.010538530e+02 
1.34  1.865902428e+02 
1.36  1.731445302e+02 
1.38  1.606423666e+02 
1.40  1.490085834e+02 
1.42  1.381707203e+02 
1.44  1.280619384e+02 
1.46  1.186224585e+02 
1.48  1.098004743e+02 
1.50  1.015520519e+02 
1.52  9.383918688e+01 
1.54  8.662694180e+01 
1.56  7.988125613e+01 
1.58  7.356798334e+01 
1.60  6.765300609e+01 
1.62  6.210319534e+01 
1.64  5.688787645e+01 
1.66  5.198035507e+01 
1.68  4.735923328e+01 
1.70  4.300895493e+01 
1.72  3.892232744e+01 
1.74  3.515238806e+01 
1.76  3.169942580e+01 
1.78  2.853860876e+01 
1.80  2.564445957e+01 
1.82  2.299240327e+01 
1.84  2.055996250e+01 
1.86  1.832722668e+01 
1.88  1.627675311e+01 
1.90  1.439320475e+01 
1.92  1.266294730e+01 
1.94  1.107370425e+01 
1.96  9.614303810e+00 
1.98  8.274512940e+00 
2.00  7.044940252e+00 
2.02  5.916969254e+00 
2.04  4.882692028e+00 
2.06  3.934844968e+00 
2.08  3.066763064e+00 
2.10  2.272349792e+00 
2.12  1.546036552e+00 
2.14  8.827199849e-01 
2.16  2.776908416e-01 
2.18 -2.734235395e-01 
2.20 -7.746953693e-01 
2.22 -1.229918274e+00 
2.24 -1.642619634e+00 
2.26 -2.016063680e+00 
2.28 -2.353247607e+00 
2.30 -2.656899278e+00 
2.32 -2.929489985e+00 
2.34 -3.173262779e+00 
2.36 -3.390268369e+00 
2.38 -3.582398599e+00 
2.40 -3.751415067e+00 
2.42 -3.898976377e+00 
2.44 -4.026667055e+00 
2.46 -4.136028997e+00 
2.48 -4.228627409e+00 
2.50 -4.307274190e+00 
2.52 -4.373786129e+00 
2.54 -4.429303517e+00 
2.56 -4.475032589e+00 
2.58 -4.511844651e+00 
2.60 -4.540499551e+00 
2.62 -4.561636674e+00 
2.64 -4.575765982e+00 
2.66 -4.583283322e+00 
2.68 -4.584499673e+00 
2.70 -4.579655064e+00 
2.72 -4.568784690e+00 
2.74 -4.551853794e+00 
2.76 -4.528888378e+00 
2.78 -4.499965307e+00 
2.80 -4.465203185e+00 
2.82 -4.424756793e+00 
2.84 -4.378817622e+00 
2.86 -4.327619209e+00 
2.88 -4.271446433e+00 
2.90 -4.210646082e+00 
2.92 -4.145635323e+00 
2.94 -4.076904572e+00 
2.96 -4.005011955e+00 
2.98 -3.930567795e+00 
3.00 -3.854209308e+00 
3.02 -3.776567793e+00 
3.04 -3.698232598e+00 
3.06 -3.619718439e+00 
3.08 -3.541440453e+00 
3.10 -3.463703526e+00 
3.12 -3.386705149e+00 
3.14 -3.310550599e+00 
3.16 -3.235274403e+00 
3.18 -3.160864339e+00 
3.20 -3.087282471e+00 
3.22 -3.014481395e+00 
3.24 -2.942415038e+00 
3.26 -2.871044669e+00 
3.28 -2.800341332e+00 
3.30 -2.730285975e+00 
3.32 -2.660880820e+00 
3.34 -2.592186237e+00 
3.36 -2.524269093e+00 
3.38 -2.457187249e+00 
3.40 -2.390992128e+00 
3.42 -2.325731756e+00 
3.44 -2.261453766e+00 
3.46 -2.198209012e+00 
3.48 -2.136054714e+00 
3.50 -2.075056705e+00 
3.52 -2.015289955e+00 
3.54 -1.956836670e+00 
3.56 -1.899781751e+00 
3.58 -1.844206040e+00 
3.60 -1.790178544e+00 
3.62 -1.737749225e+00 
3.64 -1.686943919e+00 
3.66 -1.637762344e+00 
3.68 -1.590179326e+00 
3.70 -1.544148623e+00 
3.72 -1.499608286e+00 
3.74 -1.456486485e+00 
3.76 -1.414706938e+00 
3.78 -1.374193431e+00 
3.80 -1.334873225e+00 
3.82 -1.296679368e+00 
3.84 -1.259552027e+00 
3.86 -1.223439036e+00 
3.88 -1.188295825e+00 
3.90 -1.154084903e+00 
3.92 -1.120774979e+00 
3.94 -1.088340243e+00 
3.96 -1.056758885e+00 
3.98 -1.026012357e+00 
4.00 -9.960843193e-01 
4.02 -9.669597905e-01 
4.04 -9.386244277e-01 
4.06 -9.110639454e-01 
4.08 -8.842636675e-01 
4.10 -8.582081411e-01 
4.12 -8.328811412e-01 
4.14 -8.082651513e-01 
4.16 -7.843415422e-01 
4.18 -7.610904686e-01 
4.20 -7.384908727e-01 
4.22 -7.165205173e-01 
4.24 -6.951560409e-01 
4.26 -6.743730293e-01 
4.28 -6.541461000e-01 
4.30 -6.344489936e-01 
4.32 -6.152546685e-01 
4.34 -5.965353924e-01 
4.36 -5.782628265e-01 
4.38 -5.604080979e-01 
4.40 -5.429418580e-01 
4.42 -5.258343294e-01 
4.44 -5.090553468e-01 
4.46 -4.925744027e-01 
4.48 -4.763607145e-01 
4.50 -4.603833339e-01 
4.52 -4.446113201e-01 
4.54 -4.290140047e-01 
4.56 -4.135613707e-01 
4.58 -3.982245682e-01 
4.60 -3.829765816e-01 
4.62 -3.677930532e-01 
4.64 -3.526532565e-01 
4.66 -3.375411907e-01 
4.68 -3.224467513e-01 
4.70 -3.073669026e-01 
4.72 -2.923067596e-01 
4.74 -2.772804634e-01 
4.76 -2.623117278e-01 
4.78 -2.474339380e-01 
4.80 -2.326895989e-01 
4.82 -2.181297553e-01 
4.84 -2.038116633e-01 
4.86 -1.897971717e-01 
4.88 -1.761501199e-01 
4.90 -1.629337063e-01 
4.92 -1.502079126e-01 
4.94 -1.380271839e-01 
4.96 -1.264385225e-01 
4.98 -1.154800890e-01 
5.00 -1.051803371e-01 
5.02 -9.555765014e-02 
5.04 -8.662041132e-02 
5.06 -7.836742746e-02 
5.08 -7.078862688e-02 
5.10 -6.386596743e-02 
5.12 -5.757450220e-02 
5.14 -5.188355900e-02 
5.16 -4.675798210e-02 
5.18 -4.215939842e-02 
5.20 -3.804745077e-02 
5.22 -3.438093691e-02 
5.24 -3.111822381e-02 
5.26 -2.821949938e-02 
5.28 -2.564699893e-02 
5.30 -2.336494764e-02 
5.32 -2.134000207e-02 
5.34 -1.954150448e-02 
5.36 -1.794158646e-02 
5.38 -1.651515727e-02 
5.40 -1.523980870e-02 
5.42 -1.409566406e-02 
5.44 -1.306519370e-02 
5.46 -1.213301454e-02 
5.48 -1.128568679e-02 
5.50 -1.051151699e-02 
5.52 -9.800373684e-03 
5.54 -9.143519219e-03 
5.56 -8.533459315e-03 
5.58 -7.963810572e-03 
5.60 -7.429184802e-03 
5.62 -6.925088244e-03 
5.64 -6.447833035e-03 
5.66 -5.994457875e-03 
5.68 -5.562654648e-03 
5.70 -5.150697802e-03 
5.72 -4.757373723e-03 
5.74 -4.381907970e-03 
5.76 -4.023889222e-03 
5.78 -3.683187294e-03 
5.80 -3.359878354e-03 
5.82 -3.054163239e-03 
5.84 -2.766288297e-03 
5.86 -2.496476224e-03 
5.88 -2.244867758e-03 
5.90 -2.011476926e-03 
5.92 -1.796367221e-03 
5.94 -1.599707467e-03 
5.96 -1.420663731e-03 
5.98 -1.258302652e-03 
6.00 -1.111660336e-03