Dataset supporting the paper "Large Orbital Moment of Two Coupled Spin‑Half Co Ions in a Complex on Gold. ACS Nano 17, 10608 (2023)"

Dataset corresponding to theoretical calculations in the paper "Large Orbital Moment of Two Coupled Spin‑Half Co Ions in a Complex on Gold" ACS Nano 17, 10608 (2023), https://pubs.acs.org/doi/10.1021/acsnano.3c01595 List of files: Several folders corresponding to the figures of the paper. They contain: .siesta files: STM images in WsXM format (http://www.wsxm.eu/) simulated using STMpw (https://doi.org/10.5281/zenodo.3581159). CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/). .agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).