# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/506cd775-d2e6-4d88-8321-4181f4b8d2c2/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 Na4Si3(SnO6)2 / R-3c (167) / materials id 554853](https://mdr.nims.go.jp/datasets/ebb92699-2f12-45e3-b066-5f0f50dcecab) ## 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: "R-3c" number: 167 Hall_symbol: "-R 3 2\"c"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Si # 9 coordinates: [ 0.750000000000000, 0.455402160000001, 0.044597850000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.955402150000000, 0.250000000000002, 0.544597840000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.250000000000000, 0.544597840000002, 0.955402150000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.455402160000000, 0.044597850000001, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.544597840000000, 0.955402150000002, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.044597850000000, 0.750000000000001, 0.455402160000000 ] mass: 28.085500 - symbol: Sn # 15 coordinates: [ 0.645891260000000, 0.645891260000002, 0.645891260000000 ] mass: 118.710000 - symbol: Sn # 16 coordinates: [ 0.145891260000000, 0.145891260000000, 0.145891260000000 ] mass: 118.710000 - symbol: Sn # 17 coordinates: [ 0.854108740000000, 0.854108740000003, 0.854108740000000 ] mass: 118.710000 - symbol: Sn # 18 coordinates: [ 0.354108740000000, 0.354108740000001, 0.354108740000000 ] mass: 118.710000 - 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