# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2008--Zhou-X-W-Zimmerman-J-A-Wong-B-M-Hoyt-J-J--Pd-H
# implementation = 2008--Zhou-X-W--Pd-H--LAMMPS--ipr1
# composition = HPd2
# 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  3.023640671e+02 
0.88  2.789800867e+02 
0.90  2.577366379e+02 
0.92  2.384080004e+02 
0.94  2.207943493e+02 
0.96  2.046485450e+02 
0.98  1.898027310e+02 
1.00  1.761152198e+02 
1.02  1.636395545e+02 
1.04  1.521019216e+02 
1.06  1.414566948e+02 
1.08  1.316735754e+02 
1.10  1.225434232e+02 
1.12  1.140469101e+02 
1.14  1.061453135e+02 
1.16  9.868618810e+01 
1.18  9.163974979e+01 
1.20  8.509948588e+01 
1.22  7.907213171e+01 
1.24  7.341123829e+01 
1.26  6.803762322e+01 
1.28  6.300535772e+01 
1.30  5.833043720e+01 
1.32  5.395395034e+01 
1.34  4.982370348e+01 
1.36  4.589707168e+01 
1.38  4.218479721e+01 
1.40  3.869925683e+01 
1.42  3.543027678e+01 
1.44  3.234570339e+01 
1.46  2.943362017e+01 
1.48  2.667158434e+01 
1.50  2.401738383e+01 
1.52  2.147100460e+01 
1.54  1.907424023e+01 
1.56  1.688982209e+01 
1.58  1.495393421e+01 
1.60  1.320581521e+01 
1.62  1.162344353e+01 
1.64  1.017774885e+01 
1.66  8.854962288e+00 
1.68  7.646027444e+00 
1.70  6.534229889e+00 
1.72  5.504689021e+00 
1.74  4.563647875e+00 
1.76  3.715668980e+00 
1.78  2.959027658e+00 
1.80  2.278467225e+00 
1.82  1.656628005e+00 
1.84  1.089695569e+00 
1.86  5.757693090e-01 
1.88  1.107555102e-01 
1.90 -3.160715027e-01 
1.92 -6.991171585e-01 
1.94 -1.043630896e+00 
1.96 -1.352454503e+00 
1.98 -1.628025355e+00 
2.00 -1.872121621e+00 
2.02 -2.087934657e+00 
2.04 -2.280262372e+00 
2.06 -2.452520946e+00 
2.08 -2.609868494e+00 
2.10 -2.741443571e+00 
2.12 -2.850770084e+00 
2.14 -2.941012807e+00 
2.16 -3.015546692e+00 
2.18 -3.075593959e+00 
2.20 -3.122165715e+00 
2.22 -3.156053901e+00 
2.24 -3.178182586e+00 
2.26 -3.189535401e+00 
2.28 -3.191281990e+00 
2.30 -3.185075412e+00 
2.32 -3.173063497e+00 
2.34 -3.152652136e+00 
2.36 -3.124786815e+00 
2.38 -3.090050574e+00 
2.40 -3.049012889e+00 
2.42 -3.002234282e+00 
2.44 -2.950114300e+00 
2.46 -2.892636304e+00 
2.48 -2.830552474e+00 
2.50 -2.764691329e+00 
2.52 -2.695808278e+00 
2.54 -2.624545625e+00 
2.56 -2.551428646e+00 
2.58 -2.476907173e+00 
2.60 -2.401315054e+00 
2.62 -2.325016890e+00 
2.64 -2.249034706e+00 
2.66 -2.172702633e+00 
2.68 -2.096083384e+00 
2.70 -2.016141538e+00 
2.72 -1.935302855e+00 
2.74 -1.855284959e+00 
2.76 -1.777607693e+00 
2.78 -1.703345944e+00 
2.80 -1.632807544e+00 
2.82 -1.563844383e+00 
2.84 -1.495885818e+00 
2.86 -1.429119153e+00 
2.88 -1.363735956e+00 
2.90 -1.299928019e+00 
2.92 -1.237881190e+00 
2.94 -1.177767421e+00 
2.96 -1.119735822e+00 
2.98 -1.063903719e+00 
3.00 -1.010348957e+00 
3.02 -9.591047182e-01 
3.04 -9.101580950e-01 
3.06 -8.634534302e-01 
3.08 -8.189010807e-01 
3.10 -7.763326079e-01 
3.12 -7.350606613e-01 
3.14 -6.950116703e-01 
3.16 -6.563938580e-01 
3.18 -6.195303334e-01 
3.20 -5.848651175e-01 
3.22 -5.529788998e-01 
3.24 -5.246229557e-01 
3.26 -5.007829791e-01 
3.28 -4.819565829e-01 
3.30 -4.628020659e-01 
3.32 -4.443674809e-01 
3.34 -4.266422374e-01 
3.36 -4.096147565e-01 
3.38 -3.932724536e-01 
3.40 -3.776014564e-01 
3.42 -3.625866091e-01 
3.44 -3.482111911e-01 
3.46 -3.344569996e-01 
3.48 -3.213040808e-01 
3.50 -3.087309363e-01 
3.52 -2.967143024e-01 
3.54 -2.852294648e-01 
3.56 -2.742501877e-01 
3.58 -2.637490241e-01 
3.60 -2.536975466e-01 
3.62 -2.440665105e-01 
3.64 -2.348264227e-01 
3.66 -2.259476353e-01 
3.68 -2.174009290e-01 
3.70 -2.091579083e-01 
3.72 -2.011912195e-01 
3.74 -1.934751755e-01 
3.76 -1.859860061e-01 
3.78 -1.787020571e-01 
3.80 -1.716042665e-01 
3.82 -1.646762651e-01 
3.84 -1.579043646e-01 
3.86 -1.512777884e-01 
3.88 -1.447886140e-01 
3.90 -1.384314925e-01 
3.92 -1.322035294e-01 
3.94 -1.261040956e-01 
3.96 -1.201344215e-01 
3.98 -1.142970941e-01 
4.00 -1.085957623e-01 
4.02 -1.030347093e-01 
4.04 -9.761839691e-02 
4.06 -9.235092925e-02 
4.08 -8.723578355e-02 
4.10 -8.227554455e-02 
4.12 -7.747165428e-02 
4.14 -7.282424829e-02 
4.16 -6.833209605e-02 
4.18 -6.399275203e-02 
4.20 -5.980275940e-02 
4.22 -5.575788573e-02 
4.24 -5.185342243e-02 
4.26 -4.808451564e-02 
4.28 -4.444652427e-02 
4.30 -4.093530601e-02 
4.32 -3.754742927e-02 
4.34 -3.428021572e-02 
4.36 -3.113163315e-02 
4.38 -2.810015207e-02 
4.40 -2.518456979e-02 
4.42 -2.238297998e-02 
4.44 -1.969299031e-02 
4.46 -1.711198422e-02 
4.48 -1.463806477e-02 
4.50 -1.227223084e-02 
4.52 -1.002264612e-02 
4.54 -7.911930839e-03 
4.56 -5.988775877e-03 
4.58 -4.345373386e-03 
4.60 -3.142922022e-03 
4.62 -2.646211637e-03 
4.64 -2.771853687e-03 
4.66 -2.377265108e-03 
4.68 -1.929232166e-03 
4.70 -1.429648196e-03 
4.72 -8.938763435e-04 
4.74 -3.382485149e-04 
4.76  2.206660419e-04 
4.78  7.670662145e-04 
4.80  1.286372827e-03 
4.82  1.765783353e-03 
4.84  2.194708388e-03 
4.86  2.565452439e-03 
4.88  2.872482422e-03 
4.90  3.112400202e-03 
4.92  3.284681489e-03 
4.94  3.391534706e-03 
4.96  3.442963688e-03 
4.98  3.476660516e-03 
5.00  3.499522125e-03 
5.02  3.511609818e-03 
5.04  3.514085797e-03 
5.06  3.493239213e-03 
5.08  3.363476934e-03 
5.10  3.123693603e-03 
5.12  2.792529670e-03 
5.14  2.391269228e-03 
5.16  1.942922223e-03 
5.18  1.471014717e-03 
5.20  9.982774992e-04 
5.22  5.453933079e-04 
5.24  1.299799484e-04 
5.26 -2.340310476e-04 
5.28 -5.365108515e-04 
5.30 -7.706974403e-04 
5.32 -9.322164164e-04 
5.34 -1.017540158e-03 
5.36 -1.030429238e-03 
5.38 -1.030429238e-03 
5.40 -1.030429238e-03 
5.42 -1.030429238e-03 
5.44 -1.030429238e-03 
5.46 -1.030429238e-03 
5.48 -1.030429238e-03 
5.50 -1.030429238e-03 
5.52 -1.030429238e-03 
5.54 -1.030429238e-03 
5.56 -1.030429238e-03 
5.58 -1.030429238e-03 
5.60 -1.030429238e-03 
5.62 -1.030429238e-03 
5.64 -1.030429238e-03 
5.66 -1.030429238e-03 
5.68 -1.030429238e-03 
5.70 -1.030429238e-03 
5.72 -1.030429238e-03 
5.74 -1.030429238e-03 
5.76 -1.030429238e-03 
5.78 -1.030429238e-03 
5.80 -1.030429238e-03 
5.82 -1.030429238e-03 
5.84 -1.030429238e-03 
5.86 -1.030429238e-03 
5.88 -1.030429238e-03 
5.90 -1.030429238e-03 
5.92 -1.030429238e-03 
5.94 -1.030429238e-03 
5.96 -1.030429238e-03 
5.98 -1.030429238e-03 
6.00 -1.030429238e-03