# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5760a79a-1a22-4c8a-bae3-3674be358c2f/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 SrSiO3 / P2_1/c (14) / materials id 561547](https://mdr.nims.go.jp/datasets/1132f3de-738e-41a9-98d8-71d31c102ba6) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.468163320000000, 0.000000000000000, -0.002700300000000 ] # a - [ 0.000000000000000, 6.070725390000000, 0.000000000000000 ] # b - 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[ 7.468163320000000, 0.000000000000000, -0.002700300000000 ] # a - [ 0.000000000000000, 12.141450780000000, 0.000000000000000 ] # b - [ -6.075901420000000, 0.000000000000000, 12.000446910000001 ] # c points: - symbol: Sr # 1 coordinates: [ 0.743854990000000, 0.205270960000000, 0.658864910000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.743854990000000, 0.705270960000000, 0.658864910000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.743854990000000, 0.044729040000000, 0.158864910000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.743854990000000, 0.544729040000000, 0.158864910000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 5 coordinates: [ 0.784403590000000, 0.299837970000000, 0.374245430000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.784403590000000, 0.799837970000000, 0.374245430000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 7 coordinates: [ 0.784403590000000, 0.450162030000000, 0.874245430000000 ] mass: 87.620000 reduced_to: 7 - 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