GitLab

Added missing `atomic_collection_name` and fixed some descriptions (`atomic_data.nomadmetainfo.json`)

ORCA: timings should be part of section_single_configuration_calculation, not section_scf_iteration.

atomic_data: Remove duplicates, i.e, `atomic_highest_occupied_molecular_orbital_energy` and `atomic_lowest_unoccupied_molecular_orbital_energy`

atomic_data: Term symbol must be an atomic property method, otherwise only one (total) angular momentum quantum number is allowed

Pretty print `atomic_data.nomadmetainfo.json` and renamed `section_atomic_property_collection` to `section_atomic_data_collection`

in analogy to section calculation_to_calculation_ref
Changed free energy from per unit cell to per atom

to calculation_method_kind

extended description of section_k_band, band_energies, band_k_points,
band_segm_labels, section_dos, dos_values, and dos_energies to include
vibrational calculations

Merge branch 'master' of https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info into feature/metadata-descriptions