Copper DFT-PBE dataset

This is a DFT dataset computed with FHI-aims and that was used for fitting Atomic Cluster Expansion potential for copper.

Files:

• Cu_FHIaims-PBE-dataset.json.zip (11.8MiB bytes)
• Cu_FHIaims_dataset_overview.ipynb (68.5KiB bytes)
• Cu_PBE_28Jan2021.ace (425.3KiB bytes)