# 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 = PdTi2
# 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  3.596546323e+02 
1.16  3.323873501e+02 
1.18  3.072849776e+02 
1.20  2.841539903e+02 
1.22  2.628200521e+02 
1.24  2.431270219e+02 
1.26  2.249355298e+02 
1.28  2.081211587e+02 
1.30  1.925725947e+02 
1.32  1.781896014e+02 
1.34  1.648801556e+02 
1.36  1.525577764e+02 
1.38  1.411410529e+02 
1.40  1.305549314e+02 
1.42  1.207317601e+02 
1.44  1.116112745e+02 
1.46  1.031397374e+02 
1.48  9.526874088e+01 
1.50  8.795412297e+01 
1.52  8.115514883e+01 
1.54  7.483395503e+01 
1.56  6.895516247e+01 
1.58  6.348553815e+01 
1.60  5.839383850e+01 
1.62  5.365102367e+01 
1.64  4.923068637e+01 
1.66  4.510969473e+01 
1.68  4.126726585e+01 
1.70  3.769729394e+01 
1.72  3.439199918e+01 
1.74  3.133258455e+01 
1.76  2.850115337e+01 
1.78  2.588068188e+01 
1.80  2.345518598e+01 
1.82  2.120989367e+01 
1.84  1.913130012e+01 
1.86  1.720709403e+01 
1.88  1.542602059e+01 
1.90  1.377775822e+01 
1.92  1.225284140e+01 
1.94  1.084260594e+01 
1.96  9.539117091e+00 
1.98  8.335061390e+00 
2.00  7.223620843e+00 
2.02  6.198360291e+00 
2.04  5.253154174e+00 
2.06  4.382169197e+00 
2.08  3.579902617e+00 
2.10  2.841248758e+00 
2.12  2.161546710e+00 
2.14  1.536578277e+00 
2.16  9.625180219e-01 
2.18  4.358592067e-01 
2.20 -4.665988592e-02 
2.22 -4.881151760e-01 
2.24 -8.914315016e-01 
2.26 -1.259388335e+00 
2.28 -1.594601279e+00 
2.30 -1.899494101e+00 
2.32 -2.176282903e+00 
2.34 -2.426980780e+00 
2.36 -2.653420829e+00 
2.38 -2.857287703e+00 
2.40 -3.040150668e+00 
2.42 -3.203494553e+00 
2.44 -3.348745296e+00 
2.46 -3.477348577e+00 
2.48 -3.590751880e+00 
2.50 -3.690086738e+00 
2.52 -3.776450021e+00 
2.54 -3.850889588e+00 
2.56 -3.914372100e+00 
2.58 -3.967762587e+00 
2.60 -4.011819335e+00 
2.62 -4.047081792e+00 
2.64 -4.073794454e+00 
2.66 -4.092204542e+00 
2.68 -4.102598044e+00 
2.70 -4.105396727e+00 
2.72 -4.101283589e+00 
2.74 -4.090480134e+00 
2.76 -4.073203356e+00 
2.78 -4.049710047e+00 
2.80 -4.020290006e+00 
2.82 -3.985262017e+00 
2.84 -3.944973922e+00 
2.86 -3.899804198e+00 
2.88 -3.850177988e+00 
2.90 -3.796593452e+00 
2.92 -3.739568420e+00 
2.94 -3.679619430e+00 
2.96 -3.617248047e+00 
2.98 -3.552928146e+00 
3.00 -3.487096834e+00 
3.02 -3.420149487e+00 
3.04 -3.352437286e+00 
3.06 -3.284266111e+00 
3.08 -3.215894195e+00 
3.10 -3.147532074e+00 
3.12 -3.079344136e+00 
3.14 -3.011453804e+00 
3.16 -2.943950756e+00 
3.18 -2.876899920e+00 
3.20 -2.810349613e+00 
3.22 -2.744338086e+00 
3.24 -2.678897970e+00 
3.26 -2.614058802e+00 
3.28 -2.549848096e+00 
3.30 -2.486291537e+00 
3.32 -2.423412798e+00 
3.34 -2.361233395e+00 
3.36 -2.299772885e+00 
3.38 -2.239049640e+00 
3.40 -2.179082287e+00 
3.42 -2.119892095e+00 
3.44 -2.061505586e+00 
3.46 -2.003957910e+00 
3.48 -1.947295758e+00 
3.50 -1.891579300e+00 
3.52 -1.836882222e+00 
3.54 -1.783289140e+00 
3.56 -1.730890148e+00 
3.58 -1.679773046e+00 
3.60 -1.630014558e+00 
3.62 -1.581672292e+00 
3.64 -1.534779130e+00 
3.66 -1.489341044e+00 
3.68 -1.445338419e+00 
3.70 -1.402730164e+00 
3.72 -1.361459409e+00 
3.74 -1.321459635e+00 
3.76 -1.282660283e+00 
3.78 -1.244991334e+00 
3.80 -1.208386668e+00 
3.82 -1.172786234e+00 
3.84 -1.138137216e+00 
3.86 -1.104394399e+00 
3.88 -1.071519930e+00 
3.90 -1.039482689e+00 
3.92 -1.008257317e+00 
3.94 -9.778234792e-01 
3.96 -9.481643678e-01 
3.98 -9.192660075e-01 
4.00 -8.911162632e-01 
4.02 -8.637040593e-01 
4.04 -8.370187391e-01 
4.06 -8.110495662e-01 
4.08 -7.857853546e-01 
4.10 -7.612141364e-01 
4.12 -7.373233206e-01 
4.14 -7.140990989e-01 
4.16 -6.915267721e-01 
4.18 -6.695906668e-01 
4.20 -6.482741759e-01 
4.22 -6.275598203e-01 
4.24 -6.074293240e-01 
4.26 -5.878636981e-01 
4.28 -5.688433313e-01 
4.30 -5.503480833e-01 
4.32 -5.323573819e-01 
4.34 -5.148503204e-01 
4.36 -4.978057587e-01 
4.38 -4.812024258e-01 
4.40 -4.650190300e-01 
4.42 -4.492343769e-01 
4.44 -4.338275047e-01 
4.46 -4.187778416e-01 
4.48 -4.040653936e-01 
4.50 -3.896709704e-01 
4.52 -3.755764554e-01 
4.54 -3.617651199e-01 
4.56 -3.482219793e-01 
4.58 -3.349341796e-01 
4.60 -3.218913940e-01 
4.62 -3.090861997e-01 
4.64 -2.965143985e-01 
4.66 -2.841752345e-01 
4.68 -2.720714670e-01 
4.70 -2.602092577e-01 
4.72 -2.485978466e-01 
4.74 -2.372490158e-01 
4.76 -2.261763648e-01 
4.78 -2.153944523e-01 
4.80 -2.049177765e-01 
4.82 -1.947603694e-01 
4.84 -1.849343507e-01 
4.86 -1.754499249e-01 
4.88 -1.663150072e-01 
4.90 -1.575352479e-01 
4.92 -1.491142821e-01 
4.94 -1.410541241e-01 
4.96 -1.333556045e-01 
4.98 -1.260187470e-01 
5.00 -1.190429967e-01 
5.02 -1.124272534e-01 
5.04 -1.061696960e-01 
5.06 -1.002674468e-01 
5.08 -9.471614466e-02 
5.10 -8.950951762e-02 
5.12 -8.463902071e-02 
5.14 -8.009312954e-02 
5.16 -7.585863595e-02 
5.18 -7.192031637e-02 
5.20 -6.826091300e-02 
5.22 -6.486165711e-02 
5.24 -6.170283195e-02 
5.26 -5.876432233e-02 
5.28 -5.602610921e-02 
5.30 -5.346868294e-02 
5.32 -5.107336285e-02 
5.34 -4.882252342e-02 
5.36 -4.669973552e-02 
5.38 -4.468983647e-02 
5.40 -4.277894499e-02 
5.42 -4.095443689e-02 
5.44 -3.920489610e-02 
5.46 -3.752005381e-02 
5.48 -3.589072561e-02 
5.50 -3.430875462e-02 
5.52 -3.276696604e-02 
5.54 -3.125913654e-02 
5.56 -2.977997990e-02 
5.58 -2.832514826e-02 
5.60 -2.689124657e-02 
5.62 -2.547585568e-02 
5.64 -2.407755793e-02 
5.66 -2.269595771e-02 
5.68 -2.133168472e-02 
5.70 -1.998637569e-02 
5.72 -1.866262238e-02 
5.74 -1.736387885e-02 
5.76 -1.609432449e-02 
5.78 -1.485868309e-02 
5.80 -1.366200838e-02 
5.82 -1.250943780e-02 
5.84 -1.140593622e-02 
5.86 -1.035604859e-02 
5.88 -9.363678782e-03 
5.90 -8.431911140e-03 
5.92 -7.562854205e-03 
5.94 -6.757565617e-03 
5.96 -6.016224643e-03 
5.98 -5.338045620e-03 
6.00 -4.721367105e-03