# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2fe43fa6-5d9d-4d95-a1ae-520f6d02630a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Zn(SbO3)2 / P4_2/mnm (136) / materials id 3188](https://mdr.nims.go.jp/datasets/6a31fae0-2bdd-429d-ac4b-3b4bdba99602) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4_2/mnm" number: 136 Hall_symbol: "-P 4n 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.694089440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.694089440000000, 0.000000000000000 ] # b - 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[ -2.160332920000000, -0.898352650000000, 0.298402220000000 ] - [ -0.898352650000000, -2.160332920000000, 0.298402220000000 ] - [ 0.213382420000000, 0.213382420000000, -1.963892280000000 ]- # 2 (O) - [ -2.160332920000000, -0.898352650000000, -0.298402220000000 ] - [ -0.898352650000000, -2.160332920000000, -0.298402220000000 ] - [ -0.213382420000000, -0.213382420000000, -1.963892280000000 ]- # 3 (O) - [ -2.160332920000000, -0.898352650000000, -0.298402220000000 ] - [ -0.898352650000000, -2.160332920000000, -0.298402220000000 ] - [ -0.213382420000000, -0.213382420000000, -1.963892280000000 ]- # 4 (O) - [ -2.160332920000000, 0.898352650000000, 0.298402220000000 ] - [ 0.898352650000000, -2.160332920000000, -0.298402220000000 ] - [ 0.213382420000000, -0.213382420000000, -1.963892280000000 ]- # 5 (O) - [ -2.160332920000000, 0.898352650000000, -0.298402220000000 ] - [ 0.898352650000000, -2.160332920000000, 0.298402220000000 ] - [ -0.213382420000000, 0.213382420000000, -1.963892280000000 ]- # 6 (O) - 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