# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f0709c8b-6e8a-4a91-979e-f5179e76645b/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 Sr2H6Ru / Fm-3m (225) / materials id 24292](https://mdr.nims.go.jp/datasets/34d1f0c8-d8d7-43fa-8373-82b24447757b) ## 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: "Fm-3m" number: 225 Hall_symbol: "-F 4 2 3"primitive_matrix:- [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Ru # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 101.070000 reciprocal_lattice: # without 2pi - [ -0.133795232652690, 0.133795232652690, 0.133795232652690 ] # a* - [ 0.133795232652690, -0.133795232652690, 0.133795232652690 ] # b* - [ 0.133795232652690, 0.133795232652690, -0.133795232652690 ] # c*unit_cell: lattice: - [ 7.474107860000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 7.474107860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.474107860000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 2 - 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