# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/40e37b1e-7dff-40cd-9222-7232a49657ae/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 La2Ti2SiO9 / C2/m (12) / materials id 559747](https://mdr.nims.go.jp/datasets/c1666335-3df2-4144-a6ad-0975f1eb35b4) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Si # 9 coordinates: [ 0.337936510000000, 0.337936510000000, 0.020631220000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.662063490000000, 0.662063490000000, 0.979368780000000 ] mass: 28.085500 - symbol: O # 11 coordinates: [ 0.863219160000000, 0.372219580000000, 0.014628610000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.097329270000000, 0.579852770000000, 0.517074650000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.347354130000000, 0.347354130000000, 0.240387260000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.243361820000000, 0.243361820000000, 0.869892330000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.527134350000000, 0.527134350000000, 0.186322160000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.652645870000000, 0.652645870000000, 0.759612740000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.023829560000000, 0.023829560000000, 0.180505000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.276720140000000, 0.723279860000000, 0.500000000000000 ] mass: 15.999400 - 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