# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/461a01df-7467-4be0-ab24-6b4d1f2b1ae6/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 BaSr4U3O14 / Cmce (64) / materials id 559427](https://mdr.nims.go.jp/datasets/c4e5cc0b-3561-4e20-86f7-bc70ea28965c) ## 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: "Cmce" number: 64 Hall_symbol: "-C 2bc 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Sr # 9 coordinates: [ 0.500000000000000, 0.248689680000000, 0.724554230000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.250000000000000, 0.021201740000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 10 - symbol: Sr # 11 coordinates: [ 0.750000000000000, 0.978798260000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 12 coordinates: [ 0.750000000000000, 0.021201740000000, 0.750000000000000 ] mass: 87.620000 reduced_to: 12 - symbol: Sr # 13 coordinates: [ 0.750000000000000, 0.478798260000000, 0.250000000000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 14 coordinates: [ 0.000000000000000, 0.251310320000000, 0.275445770000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 15 coordinates: [ 0.000000000000000, 0.248689680000000, 0.775445770000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 16 coordinates: [ 0.000000000000000, 0.751310320000000, 0.224554230000000 ] mass: 87.620000 reduced_to: 8 - symbol: Sr # 17 coordinates: [ 0.000000000000000, 0.748689680000000, 0.724554230000000 ] mass: 87.620000 reduced_to: 9 - 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