# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f2c6c333-1c0a-45bf-88c9-a830d68cccfe/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 RuCl2O / Immm (71) / materials id 29132](https://mdr.nims.go.jp/datasets/263e86a6-42bb-4173-981b-53f604bee07f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Immm" number: 71 Hall_symbol: "-I 2 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 4, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ 0.000000000000000, 0.000000000000000, 11.487396410000001 ] # c points: - symbol: O # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 1 - symbol: Cl # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.362808360000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.137191640000000 ] mass: 35.453000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.500000000000000, 0.500000000000000, 0.862808360000000 ] mass: 35.453000 reduced_to: 3 - symbol: Cl # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.637191640000000 ] mass: 35.453000 reduced_to: 4 - symbol: Ru # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 101.070000 reduced_to: 7 - symbol: Ru # 8 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 101.070000 reduced_to: 7supercell: lattice: - 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