# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4d1253c9-3e6f-4096-a296-4810e1eda370/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 Sr(ClO3)2 / Fdd2 (43) / materials id 28477](https://mdr.nims.go.jp/datasets/d3c19209-f795-47fe-a5b5-87da8417409a) ## 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: "Fdd2" number: 43 Hall_symbol: "F 2 -2d"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, 2 ]primitive_cell: lattice: - 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[ -0.086937469506085, 0.079811683821229, 0.133987824373653 ] # a* - [ 0.086937469506085, -0.079811683821229, 0.133987824373653 ] # b* - [ 0.086937469506085, 0.079811683821229, -0.133987824373653 ] # c*unit_cell: lattice: - [ 11.502520210000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.529493830000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.463364710000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.250000000000000, 0.750000000000000, 0.001005610000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.751005610000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.250000000000000, 0.250000000000000, 0.501005610000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251005610000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 5 coordinates: [ 0.750000000000000, 0.750000000000000, 0.501005610000000 ] mass: 87.620000 reduced_to: 1 - 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