# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8c9b0515-03cd-436e-aa8d-1f9d55e75e0d/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 Sr2LiSiO4F / P2_1/m (11) / materials id 556066](https://mdr.nims.go.jp/datasets/12a538c3-f0e3-4078-8de3-f5ff38be0bb8) ## 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: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.512440780000000, 0.000000000000000, -0.016453930000000 ] # a - [ 0.000000000000000, 5.387338670000000, 0.000000000000000 ] # b - 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symbol: Sr # 14 coordinates: [ 0.682312185000000, 0.125000000000000, 0.799411460000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 15 coordinates: [ 0.182312185000000, 0.625000000000000, 0.799411460000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 16 coordinates: [ 0.682312185000000, 0.625000000000000, 0.799411460000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 17 coordinates: [ 0.419475495000000, 0.125000000000000, 0.063066155000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 18 coordinates: [ 0.919475495000000, 0.125000000000000, 0.063066155000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 19 coordinates: [ 0.419475495000000, 0.625000000000000, 0.063066155000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 20 coordinates: [ 0.919475495000000, 0.625000000000000, 0.063066155000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 21 coordinates: [ 0.419475495000000, 0.125000000000000, 0.563066155000000 ] mass: 87.620000 reduced_to: 17 - symbol: Sr # 22 coordinates: [ 0.919475495000000, 0.125000000000000, 0.563066155000000 ] mass: 87.620000 reduced_to: 17 - 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