default_nv_hyperfine_database

default_nv_hyperfine_database()

Return the full default NV lattice/hyperfine database.

The returned object is an NVLatticeDatabase, which behaves like an immutable sequence of NVLatticeSite entries. Each entry contains the lattice indices, DFT and ideal lattice positions, the distance from the ideal lattice center, and the associated hyperfine tensor data.

Unlike the internal carbon-only lookup used by default_nv_model() and default_multi_nv_model(), this public database also includes the nitrogen and vacancy rows present in the packaged CSV. Those non-carbon entries are returned with hyperfine=nan in their representation and nan tensor components in the underlying dataclass fields.

The returned NVLatticeDatabase can be indexed and iterated like a sequence:

db = simphony.default_nv_hyperfine_database()
first_site = db[0]
carbon_sites = [site for site in db if site.type == 'C']

Return type:

NVLatticeDatabase

Returns:

Full packaged NV lattice database, including carbon, nitrogen, and vacancy entries.