# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ab9abf39-6b65-4992-b655-fe8dd62a94fb/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 OsO2F3 / Pc (7) / materials id 557705](https://mdr.nims.go.jp/datasets/8acf0064-8a00-4725-95f3-1189eeef97ea) ## 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: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.607055980000000, 0.000000000000000, 0.004351140000000 ] # a - [ 0.000000000000000, 5.136930420000000, 0.000000000000000 ] # b - 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symbol: O # 10 coordinates: [ 0.686458270000000, 0.668459820000000, 0.301902080000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.406537230000000, 0.403769790000000, 0.988914430000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.746830950000000, 0.863279940000000, 0.716955470000000 ] mass: 15.999400 - symbol: F # 13 coordinates: [ 0.329193280000000, 0.824537410000000, 0.111190270000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.981650190000000, 0.803184860000000, 0.499235430000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.263552550000000, 0.361528190000000, 0.188795350000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.041929370000000, 0.707197360000000, 0.907475620000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.981650190000000, 0.196815140000000, 0.999235430000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.132951550000000, 0.871899280000000, 0.323134110000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.329193280000000, 0.175462590000000, 0.611190270000000 ] mass: 18.998403 - 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