as_cell#

libcasm.configuration.io.spglib.as_cell( obj: Structure | Prim | Prim | Configuration | ConfigurationWithProperties, )[source]#

Convert a structure, configuration, or prim to a spglib cell tuple

Parameters:

obj (CasmObjectWithPositions) – An atomic structure, configuration, or prim.

Returns:

cell – A spglib cell tuple, either (lattice, positions, numbers) or (lattice, positions, numbers, magmoms).

Magmoms are included if magnetic spin properties or degrees of freedom (DoF) are present. For prim, magmoms are all set to value 0. (collinear) or [0., 0., 0.] (non-collinear).

Return type:

tuple