Atomistic potential descriptors and structures of defected water and silicon systems

  1. Kývala, Lukáš 1
  2. Montero de Hijes, Pablo 1
  1. 1 University of Vienna
    info

    University of Vienna

    Viena, Austria

    ROR https://ror.org/03prydq77

Éditeur: Zenodo

Année de publication: 2024

Type: Dataset

CC BY 4.0

DOI: 10.5281/ZENODO.13789144 lock_openAccès ouvert editor

Résumé

Supportive material to manuscript: Unsupervised identification of crystal defects from atomistic potential descriptorsDescriptors files have format:#AtomIndex #StructureIndex #Descriptors1 #Descriptors2  #Descriptors3 ...