# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/99e846f6-d958-45f6-b71c-75825ad5e6c2/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 NaAl11O17 / R3m (160) / materials id 759230](https://mdr.nims.go.jp/datasets/ce0dc58d-c64b-4723-8773-657a7b14fc0e) ## 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: "R3m" number: 160 Hall_symbol: "R 3 -2\""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: Al # 9 coordinates: [ 0.649184030000000, 0.649184030000002, 0.649184030000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.903649910000000, 0.903649900000001, 0.405045670000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.903649910000000, 0.405045660000001, 0.903649910000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.405045670000000, 0.903649900000001, 0.903649910000000 ] mass: 26.981539 - symbol: O # 13 coordinates: [ 0.296814470000000, 0.296814460000002, 0.296814470000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.094434900000000, 0.094434890000001, 0.094434900000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.811217770000000, 0.811217790000002, 0.278135570000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.719484640000000, 0.190495940000001, 0.190495980000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.601422730000000, 0.601422720000001, 0.089545310000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.906327280000000, 0.402921880000002, 0.402921910000000 ] mass: 15.999400 - 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