This section contains the initial structure files and POSCAR files for VASP calculation.
2D.tgz: The total 6351 POSCAR files of 2D materials for VASP calculation.2D-raw.tgz: The initial json file containing the information of 2D materials and the corresponding cif files.bulk.tgz: The POSCAR files of metals and alloys for VASP calculation.cluster.tgz: The POSCAR files of clusters for VASP calculation.cluster-raw.tgz: The initial xyz files of clusters.molecule.tgz: The total POSCAR files of molecules for VASP calculation.molecule-raw.tgz: The initial xyz files of molecules.slab.tgz: The POSCAR files of slabs for VASP calculation.