atom_labels.meta_info_entry.json 1013 Bytes
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{
  "meta_name":"atom_labels",
  "meta_type":"type-value",
  "meta_description":[
    "Labels of the atoms. These strings identify the atom kind and conventionally ",
    "start with the symbol of the atomic species, possibly followed by the atomic ",
    "number. The same atomic species can be labeled with more than one atom_labels ",
    "in order to distinguish, e.g., atoms of the same species assigned to different ",
    "atom-centered basis sets or pseudo-potentials, or simply atoms in different ",
    "locations in the structure (e.g., bulk and surface). These labels can also be ",
    "used for *particles* that do not correspond to physical atoms (e.g., ghost ",
    "atoms in some codes using atom-centered basis sets). This metadata defines a ",
    "configuration and is therefore required."],
  "meta_parent_section":"section_system",
  "meta_abstract_types":[
    "configuration_core"],
  "meta_data_type":"string",
  "meta_dimension":[{
    "meta_dimension_symbolic":"number_of_atoms"
  }]
}