Moreover, during the generation of a data base, the total number of electronic states (N S ) and the respective number of singlet, doublet, and triplet states as well as a dictionary of units for all properties and the atomic coordinates are added in form of metadata to the SpaiNN data base. Including the units of properties ensures easy conversion of units without requiring internal default units. The default values are summarized in the following Python code snippet: distance_unit = "Bohr" property_unit_dict = {"energy": "Hartree", "forces": "Hartree/Bohr", "nacs": "1", # non-adiabatic couplings "dipoles": "1", # dipole momenta "socs": "