# 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 = Pd2Ti
# 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  3.792610871e+02 
1.16  3.505942617e+02 
1.18  3.241860362e+02 
1.20  2.998332991e+02 
1.22  2.773528588e+02 
1.24  2.565816884e+02 
1.26  2.373751179e+02 
1.28  2.196036665e+02 
1.30  2.031506643e+02 
1.32  1.879108772e+02 
1.34  1.737885192e+02 
1.36  1.606949401e+02 
1.38  1.485479015e+02 
1.40  1.372720880e+02 
1.42  1.267991037e+02 
1.44  1.170667808e+02 
1.46  1.080185257e+02 
1.48  9.960282774e+01 
1.50  9.177265375e+01 
1.52  8.448470045e+01 
1.54  7.769872241e+01 
1.56  7.137702853e+01 
1.58  6.548415508e+01 
1.60  5.998711010e+01 
1.62  5.488520073e+01 
1.64  5.016992631e+01 
1.66  4.581143285e+01 
1.68  4.178329762e+01 
1.70  3.806176090e+01 
1.72  3.462486961e+01 
1.74  3.145183198e+01 
1.76  2.852279976e+01 
1.78  2.581903077e+01 
1.80  2.332316803e+01 
1.82  2.101939078e+01 
1.84  1.889335255e+01 
1.86  1.693195730e+01 
1.88  1.512309598e+01 
1.90  1.345546457e+01 
1.92  1.191850965e+01 
1.94  1.050245419e+01 
1.96  9.198317818e+00 
1.98  7.997878838e+00 
2.00  6.893581614e+00 
2.02  5.878421963e+00 
2.04  4.945845709e+00 
2.06  4.089686311e+00 
2.08  3.304151000e+00 
2.10  2.583841946e+00 
2.12  1.923783276e+00 
2.14  1.319428960e+00 
2.16  7.666454332e-01 
2.18  2.616774817e-01 
2.20 -1.988911212e-01 
2.22 -6.181767489e-01 
2.24 -9.990339279e-01 
2.26 -1.344094042e+00 
2.28 -1.655805047e+00 
2.30 -1.936469256e+00 
2.32 -2.188274164e+00 
2.34 -2.413311513e+00 
2.36 -2.613585929e+00 
2.38 -2.791016753e+00 
2.40 -2.947437891e+00 
2.42 -3.084665397e+00 
2.44 -3.204338136e+00 
2.46 -3.307936284e+00 
2.48 -3.396867406e+00 
2.50 -3.472457729e+00 
2.52 -3.535939521e+00 
2.54 -3.588763058e+00 
2.56 -3.632564535e+00 
2.58 -3.667652463e+00 
2.60 -3.694231520e+00 
2.62 -3.712539006e+00 
2.64 -3.722837457e+00 
2.66 -3.725410636e+00 
2.68 -3.720561431e+00 
2.70 -3.708614811e+00 
2.72 -3.689987118e+00 
2.74 -3.665147450e+00 
2.76 -3.634546473e+00 
2.78 -3.598618064e+00 
2.80 -3.557784471e+00 
2.82 -3.512463015e+00 
2.84 -3.463074783e+00 
2.86 -3.410053175e+00 
2.88 -3.353850426e+00 
2.90 -3.294939619e+00 
2.92 -3.233810404e+00 
2.94 -3.170958263e+00 
2.96 -3.106869222e+00 
2.98 -3.042003331e+00 
3.00 -2.976780200e+00 
3.02 -2.911568457e+00 
3.04 -2.846679118e+00 
3.06 -2.782362016e+00 
3.08 -2.718804768e+00 
3.10 -2.656134717e+00 
3.12 -2.594424456e+00 
3.14 -2.533701288e+00 
3.16 -2.473958371e+00 
3.18 -2.415167039e+00 
3.20 -2.357287371e+00 
3.22 -2.300276395e+00 
3.24 -2.244093595e+00 
3.26 -2.188704074e+00 
3.28 -2.134079984e+00 
3.30 -2.080200843e+00 
3.32 -2.027053208e+00 
3.34 -1.974630063e+00 
3.36 -1.922930142e+00 
3.38 -1.871957348e+00 
3.40 -1.821720374e+00 
3.42 -1.772232732e+00 
3.44 -1.723512883e+00 
3.46 -1.675584826e+00 
3.48 -1.628478580e+00 
3.50 -1.582230328e+00 
3.52 -1.536881794e+00 
3.54 -1.492478462e+00 
3.56 -1.449066525e+00 
3.58 -1.406688803e+00 
3.60 -1.365380251e+00 
3.62 -1.325163935e+00 
3.64 -1.286048282e+00 
3.66 -1.248026076e+00 
3.68 -1.211075257e+00 
3.70 -1.175161121e+00 
3.72 -1.140239346e+00 
3.74 -1.106259254e+00 
3.76 -1.073166850e+00 
3.78 -1.040907379e+00 
3.80 -1.009427323e+00 
3.82 -9.786758588e-01 
3.84 -9.486058674e-01 
3.86 -9.191746113e-01 
3.88 -8.903441885e-01 
3.90 -8.620818626e-01 
3.92 -8.343603540e-01 
3.94 -8.071581533e-01 
3.96 -7.804598864e-01 
3.98 -7.542567307e-01 
4.00 -7.285468329e-01 
4.02 -7.033356380e-01 
4.04 -6.786360007e-01 
4.06 -6.544679327e-01 
4.08 -6.308578477e-01 
4.10 -6.078371362e-01 
4.12 -5.854405501e-01 
4.14 -5.637032323e-01 
4.16 -5.426583442e-01 
4.18 -5.223342220e-01 
4.20 -5.027519435e-01 
4.22 -4.839234928e-01 
4.24 -4.658507112e-01 
4.26 -4.485251035e-01 
4.28 -4.319284349e-01 
4.30 -4.160339576e-01 
4.32 -4.008080482e-01 
4.34 -3.862120295e-01 
4.36 -3.722039792e-01 
4.38 -3.587403804e-01 
4.40 -3.457775280e-01 
4.42 -3.332726586e-01 
4.44 -3.211848125e-01 
4.46 -3.094754657e-01 
4.48 -2.981089819e-01 
4.50 -2.870529390e-01 
4.52 -2.762783807e-01 
4.54 -2.657600324e-01 
4.56 -2.554765086e-01 
4.58 -2.454105224e-01 
4.60 -2.355490949e-01 
4.62 -2.258837420e-01 
4.64 -2.164106067e-01 
4.66 -2.071304930e-01 
4.68 -1.980487538e-01 
4.70 -1.891749883e-01 
4.72 -1.805225167e-01 
4.74 -1.721076219e-01 
4.76 -1.639485762e-01 
4.78 -1.560645005e-01 
4.80 -1.484740803e-01 
4.82 -1.411945769e-01 
4.84 -1.342403567e-01 
4.86 -1.276222445e-01 
4.88 -1.213468331e-01 
4.90 -1.154161734e-01 
4.92 -1.098277778e-01 
4.94 -1.045749022e-01 
4.96 -9.964704520e-02 
4.98 -9.503059770e-02 
5.00 -9.070956502e-02 
5.02 -8.666629624e-02 
5.04 -8.288194464e-02 
5.06 -7.933743915e-02 
5.08 -7.601417349e-02 
5.10 -7.289394094e-02 
5.12 -6.995927030e-02 
5.14 -6.719365273e-02 
5.16 -6.458167561e-02 
5.18 -6.210908228e-02 
5.20 -5.976277568e-02 
5.22 -5.753078160e-02 
5.24 -5.540218451e-02 
5.26 -5.336704674e-02 
5.28 -5.141631910e-02 
5.30 -4.954174920e-02 
5.32 -4.773579260e-02 
5.34 -4.599152813e-02 
5.36 -4.430258188e-02 
5.38 -4.266306173e-02 
5.40 -4.106750219e-02 
5.42 -3.951082120e-02 
5.44 -3.798828970e-02 
5.46 -3.649551456e-02 
5.48 -3.502843555e-02 
5.50 -3.358333658e-02 
5.52 -3.215687130e-02 
5.54 -3.074610211e-02 
5.56 -2.934855459e-02 
5.58 -2.796227972e-02 
5.60 -2.658592386e-02 
5.62 -2.521880203e-02 
5.64 -2.386096750e-02 
5.66 -2.251327024e-02 
5.68 -2.117739536e-02 
5.70 -1.985587247e-02 
5.72 -1.855204766e-02 
5.74 -1.727001127e-02 
5.76 -1.601447678e-02 
5.78 -1.479052255e-02 
5.80 -1.360355688e-02 
5.82 -1.245907362e-02 
5.84 -1.136233591e-02 
5.86 -1.031813592e-02 
5.88 -9.330580227e-03 
5.90 -8.402917378e-03 
5.92 -7.537419755e-03 
5.94 -6.735325966e-03 
5.96 -5.996843474e-03 
5.98 -5.321205491e-03 
6.00 -4.706771773e-03