Ejemplo n.º 1
0
    def from_dict(cls, d):
        lattice = Lattice.from_dict(d["lattice"])
        sites = [PeriodicSite.from_dict(sd, lattice) for sd in d["sites"]]
        s = Structure.from_sites(sites)

        return cls(
            lattice=lattice,
            species=s.species_and_occu, coords=s.frac_coords,
            miller_index=d["miller_index"],
            oriented_unit_cell=Structure.from_dict(d["oriented_unit_cell"]),
            shift=d["shift"],
            scale_factor=MontyDecoder().process_decoded(d["scale_factor"]),
            site_properties=s.site_properties, energy=d["energy"]
        )
Ejemplo n.º 2
0
    def from_dict(cls, d):
        lattice = Lattice.from_dict(d["lattice"])
        sites = [PeriodicSite.from_dict(sd, lattice) for sd in d["sites"]]
        s = Structure.from_sites(sites)

        return Interface(
            lattice=lattice,
            species=s.species_and_occu, coords=s.frac_coords,
            sub_plane=d["sub_plane"], film_plane=d["film_plane"],
            sub_init_cell=d["sub_init_cell"], film_init_cell=d["film_init_cell"],
            modified_sub_structure=d["modified_sub_structure"], modified_film_structure=d["modified_film_structure"],
            strained_sub_structure=d["strained_sub_structure"], strained_film_structure=d["strained_film_structure"],
            site_properties=s.site_properties, init_inplane_shift=d["init_inplane_shift"]
        )