atom_info_initial#

OccLocation.atom_info_initial(

self: OccLocation,

) → AtomInfoMap#

Return the initial position, type, and time when atom are added to the supercell, stored by unique atom id

Returns:

atom_info_initial – Dictionary with unique atom id as key and AtomInfo as value, where the AtomInfo gives the initial position, type, and time when atoms are added to the supercell.

Return type:

dict[int, AtomInfo]