# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a38e14ce-4036-4395-affe-d351efa7b732/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 AgHg2AsO4 / Pbam (55) / materials id 558188](https://mdr.nims.go.jp/datasets/344caaa7-72e8-4931-adae-10db3be119f1) ## 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: "Pbam" number: 55 Hall_symbol: "-P 2 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.749389069999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.576703170000000, 0.000000000000000 ] # b - 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symbol: O # 30 coordinates: [ 0.831004890000000, 0.582615000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.564892280000000, 0.800968450000000, 0.768006650000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.935107720000000, 0.300968450000000, 0.768006650000000 ] mass: 15.999400 reduced_to: 32supercell: lattice: - [ 17.498778139999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.576703170000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.587116740000001 ] # c points: - symbol: Ag # 1 coordinates: [ 0.014582680000000, 0.856561690000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.514582680000000, 0.856561690000000, 0.250000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 3 coordinates: [ 0.014582680000000, 0.856561690000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 4 coordinates: [ 0.514582680000000, 0.856561690000000, 0.750000000000000 ] mass: 107.868200 reduced_to: 1 - 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