# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y
# implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1
# composition = PdY2
# 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  nan             
1.00  nan             
1.02  nan             
1.04 -8.877878302e+01 
1.06 -7.519192859e+01 
1.08 -6.293696999e+01 
1.10 -5.190632500e+01 
1.12 -4.200021482e+01 
1.14 -3.312613616e+01 
1.16 -2.519836727e+01 
1.18 -1.813750584e+01 
1.20 -1.187003679e+01 
1.22 -6.327928131e+00 
1.24 -1.448253080e+00 
1.26  2.827163170e+00 
1.28  6.552073573e+00 
1.30  9.776117674e+00 
1.32  1.254510980e+01 
1.34  1.490130819e+01 
1.36  1.688366634e+01 
1.38  1.852806764e+01 
1.40  1.986754440e+01 
1.42  2.093248220e+01 
1.44  2.175081060e+01 
1.46  2.234818096e+01 
1.48  2.274813228e+01 
1.50  2.297224582e+01 
1.52  2.304028915e+01 
1.54  2.297035045e+01 
1.56  2.277896358e+01 
1.58  2.248122447e+01 
1.60  2.209089960e+01 
1.62  2.162052689e+01 
1.64  2.108150959e+01 
1.66  2.048420356e+01 
1.68  1.983799848e+01 
1.70  1.915139333e+01 
1.72  1.843206648e+01 
1.74  1.768694082e+01 
1.76  1.692224422e+01 
1.78  1.614356567e+01 
1.80  1.535590730e+01 
1.82  1.456373273e+01 
1.84  1.377101176e+01 
1.86  1.298126188e+01 
1.88  1.219758667e+01 
1.90  1.142271133e+01 
1.92  1.065901560e+01 
1.94  9.908564185e+00 
1.96  9.173134835e+00 
1.98  8.454244350e+00 
2.00  7.753172545e+00 
2.02  7.070984375e+00 
2.04  6.408550335e+00 
2.06  5.766565252e+00 
2.08  5.145565600e+00 
2.10  4.545945421e+00 
2.12  3.967970967e+00 
2.14  3.411794155e+00 
2.16  2.877464914e+00 
2.18  2.364942505e+00 
2.20  1.874105900e+00 
2.22  1.404763271e+00 
2.24  9.566606799e-01 
2.26  5.294899991e-01 
2.28  1.228961475e-01 
2.30 -2.635163252e-01 
2.32 -6.301772432e-01 
2.34 -9.775453647e-01 
2.36 -1.306103444e+00 
2.38 -1.616353765e+00 
2.40 -1.908814104e+00 
2.42 -2.184014090e+00 
2.44 -2.442491928e+00 
2.46 -2.684791468e+00 
2.48 -2.911459564e+00 
2.50 -3.123043738e+00 
2.52 -3.320090091e+00 
2.54 -3.503141452e+00 
2.56 -3.672735754e+00 
2.58 -3.829404599e+00 
2.60 -3.973672017e+00 
2.62 -4.106053377e+00 
2.64 -4.227054463e+00 
2.66 -4.337170681e+00 
2.68 -4.436886390e+00 
2.70 -4.526674354e+00 
2.72 -4.606995289e+00 
2.74 -4.678297504e+00 
2.76 -4.741016635e+00 
2.78 -4.795575440e+00 
2.80 -4.842383676e+00 
2.82 -4.881838024e+00 
2.84 -4.914322081e+00 
2.86 -4.940206388e+00 
2.88 -4.959848508e+00 
2.90 -4.973593142e+00 
2.92 -4.981772273e+00 
2.94 -4.984705346e+00 
2.96 -4.982714373e+00 
2.98 -4.977159622e+00 
3.00 -4.969534261e+00 
3.02 -4.954355469e+00 
3.04 -4.935349508e+00 
3.06 -4.912765358e+00 
3.08 -4.886841224e+00 
3.10 -4.857804828e+00 
3.12 -4.825873713e+00 
3.14 -4.791255541e+00 
3.16 -4.754148401e+00 
3.18 -4.714741110e+00 
3.20 -4.673213520e+00 
3.22 -4.629736818e+00 
3.24 -4.584473827e+00 
3.26 -4.537579304e+00 
3.28 -4.489200230e+00 
3.30 -4.439476100e+00 
3.32 -4.388539205e+00 
3.34 -4.336514909e+00 
3.36 -4.283521923e+00 
3.38 -4.229672571e+00 
3.40 -4.175073044e+00 
3.42 -4.119823659e+00 
3.44 -4.064019103e+00 
3.46 -4.007748668e+00 
3.48 -3.951096491e+00 
3.50 -3.894141771e+00 
3.52 -3.836958993e+00 
3.54 -3.779618137e+00 
3.56 -3.722184882e+00 
3.58 -3.664720804e+00 
3.60 -3.607283567e+00 
3.62 -3.549940882e+00 
3.64 -3.495674362e+00 
3.66 -3.457375556e+00 
3.68 -3.414792929e+00 
3.70 -3.358398597e+00 
3.72 -3.302293354e+00 
3.74 -3.246512144e+00 
3.76 -3.191087324e+00 
3.78 -3.136048794e+00 
3.80 -3.081424127e+00 
3.82 -3.027238686e+00 
3.84 -2.973515743e+00 
3.86 -2.920276591e+00 
3.88 -2.867540646e+00 
3.90 -2.815325554e+00 
3.92 -2.763647285e+00 
3.94 -2.712520226e+00 
3.96 -2.661957271e+00 
3.98 -2.611969907e+00 
4.00 -2.562568290e+00 
4.02 -2.513761329e+00 
4.04 -2.465556751e+00 
4.06 -2.417961180e+00 
4.08 -2.370980196e+00 
4.10 -2.324618404e+00 
4.12 -2.278879490e+00 
4.14 -2.233766282e+00 
4.16 -2.189280802e+00 
4.18 -2.145424318e+00 
4.20 -2.102197396e+00 
4.22 -2.059599943e+00 
4.24 -2.017631254e+00 
4.26 -1.976290051e+00 
4.28 -1.935574527e+00 
4.30 -1.895482381e+00 
4.32 -1.856010853e+00 
4.34 -1.817156760e+00 
4.36 -1.778916528e+00 
4.38 -1.741286219e+00 
4.40 -1.704261564e+00 
4.42 -1.667837987e+00 
4.44 -1.632010632e+00 
4.46 -1.596774387e+00 
4.48 -1.562123905e+00 
4.50 -1.528053627e+00 
4.52 -1.494557802e+00 
4.54 -1.461630508e+00 
4.56 -1.429265664e+00 
4.58 -1.397457053e+00 
4.60 -1.366198335e+00 
4.62 -1.335483063e+00 
4.64 -1.305304693e+00 
4.66 -1.275656605e+00 
4.68 -1.246532107e+00 
4.70 -1.217924450e+00 
4.72 -1.189826842e+00 
4.74 -1.162232451e+00 
4.76 -1.135134420e+00 
4.78 -1.108525875e+00 
4.80 -1.082399929e+00 
4.82 -1.056749696e+00 
4.84 -1.031568293e+00 
4.86 -1.006848848e+00 
4.88 -9.825845093e-01 
4.90 -9.587684450e-01 
4.92 -9.353938538e-01 
4.94 -9.124539670e-01 
4.96 -8.899420539e-01 
4.98 -8.678514256e-01 
5.00 -8.461754390e-01 
5.02 -8.249075004e-01 
5.04 -8.040410682e-01 
5.06 -7.835696565e-01 
5.08 -7.634868371e-01 
5.10 -7.437862424e-01 
5.12 -7.243300780e-01 
5.14 -6.960244496e-01 
5.16 -6.067777237e-01 
5.18 -2.174721322e-01 
5.20 -1.279714543e-01 
5.22 -1.199275879e-01 
5.24 -1.120569422e-01 
5.26 -1.043560758e-01 
5.28 -9.682161307e-02 
5.30 -8.945024325e-02 
5.32 -8.223871956e-02 
5.34 -7.518385843e-02 
5.36 -6.828253863e-02 
5.38 -6.153170039e-02 
5.40 -5.492834453e-02 
5.42 -4.846953151e-02 
5.44 -4.215238058e-02 
5.46 -3.597406882e-02 
5.48 -2.993183023e-02 
5.50 -2.402295482e-02 
5.52 -1.824478769e-02 
5.54 -1.259472809e-02 
5.56 -7.070228506e-03 
5.58 -1.668793773e-03 
5.60  3.612019867e-03 
5.62  8.774605649e-03 
5.64  1.382130718e-02 
5.66  1.875441935e-02 
5.68  2.357618916e-02 
5.70  2.828881663e-02 
5.72  3.289445566e-02 
5.74  3.739521485e-02 
5.76  4.179315837e-02 
5.78  4.609030674e-02 
5.80  5.028863768e-02 
5.82  5.439008692e-02 
5.84  5.839654894e-02 
5.86  6.230987781e-02 
5.88  6.613188791e-02 
5.90  6.986435468e-02 
5.92  7.255084954e-02 
5.94  6.214021643e-02 
5.96  1.442308084e-02 
5.98 -5.123564126e-02 
6.00 -4.721762749e-22