Dataset for "Relaxation effects in transition metal dichalcogenide bilayer heterostructures"

This repository hosts the dataset associated with the study on twisted transition metal dichalcogenide (TMDC) heterostructures, as described in the publication: Li, W., Brumme, T. & Heine, T. Relaxation effects in transition metal dichalcogenide bilayer heterostructures. npj 2D Mater Appl 8, 43 (2024). https://doi.org/10.1038/s41699-024-00477-6 The dataset contains both the input parameters and output data generated from simulations carried out using the LAMMPS software package. Researchers are encouraged to utilize this dataset to further the understanding of TMDC heterostructures and to replicate or extend the findings of the referenced study.