# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bfbf69bc-e9b3-4f3e-ad9e-9f562572b164/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 Al10ZnO16 / R3m (160) / materials id 760795](https://mdr.nims.go.jp/datasets/671ee583-4e4b-4874-a15d-4c7bf1628414) ## 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: [ 0.741039220000000, 0.741039230000002, 0.255853860000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.189981310000000, 0.189981300000002, 0.189981310000000 ] mass: 26.981539 - symbol: Zn # 11 coordinates: [ 0.690095030000000, 0.690095040000001, 0.690095030000000 ] mass: 65.380000 - symbol: O # 12 coordinates: [ 0.336759060000000, 0.898881740000001, 0.898881740000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.898881740000000, 0.336759060000001, 0.898881740000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.877103350000000, 0.877103360000002, 0.877103350000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.617477690000000, 0.123537080000002, 0.617477690000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.377577930000000, 0.377577930000001, 0.377577930000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.123537090000000, 0.617477680000001, 0.617477690000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.111185950000000, 0.111185950000002, 0.649624170000000 ] mass: 15.999400 - 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