Merge PR #640 to update Pt111 surface adsorbate thermo library

Update Pt111 library.
The previous surfaceThermoPt111.py database was a mixture of VASP and QE calculations. The usage of different electronic structure codes with slightly different settings resulted in constant offsets between the enthalpies of formation of the adsorbates. This new database that has a consistent set of QE values for all adsorbates. 
Also added another 42 adsorbates with more heavy atoms to the database based on calculations performed in this paper https://doi.org/10.1002/anie.202306514.

Also changed the notation of the adsorbate labels in the database, adopting a notation more similar to the SMILES notation:
X indicates a bond to the surface. It is always on the left hand site of an atom that is bonded to the surface e.g. XCCH2 it means that C is bonded to the surface.
If the X is on the right hand side and at the end of a label, it means that this species is physisorbed e.g. H2OX.

Calculations done by Bjarne Kreitz and Kirk Badger
Details at #640

Author: rwest