Hello! - Posting a question about the catalyst only trajectories available here: https://dl.fbaipublicfiles.com/opencatalystproject/data/slab_trajectories.tar
This file contains 294,249 trajectory files for bare slabs. In the corresponding mapping file https://dl.fbaipublicfiles.com/opencatalystproject/data/mapping_adslab_slab.pkl , there are 368,581 unique bare slab SIDs, ~25% more than the number of structures. Are these structures intentionally missing or unstable? I am wondering if I need to filter out the ads+cat systems corresponding to the missing bare slabs.
Thanks for any help.