colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_validation

Cite this dataset Kapil, V., and Engel, E. A. DFT polymorphs PNAS 2022 PBE TS benzene validation. ColabFit, 2023. https://doi.org/10.60732/01b77268 This dataset has been curated and formatted for the ColabFit Exchange This dataset is also available on the ColabFit Exchange: https://materials.colabfit.org/id/DS_8ou78o18mvfz_0 Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/DFT_polymorphs_PNAS_2022_PBE_TS_benzene_validation.