# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/59d5fcb6-c8cf-4dad-8a29-4f429791921d/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 Na4Ti5O12 / C2/c (15) / materials id 760184](https://mdr.nims.go.jp/datasets/fbaedc9f-dd44-4641-ac6a-4b1678289e7d) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"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: Ti # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 10 coordinates: [ 0.639494310000000, 0.172278690000000, 0.336354460000000 ] mass: 47.867000 - symbol: Ti # 11 coordinates: [ 0.646140460000000, 0.671696160000000, 0.333568550000000 ] mass: 47.867000 - symbol: Ti # 12 coordinates: [ 0.827721310000000, 0.360505690000000, 0.163645540000000 ] mass: 47.867000 - symbol: Ti # 13 coordinates: [ 0.328303840000000, 0.353859540000000, 0.166431450000000 ] mass: 47.867000 - symbol: Ti # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 47.867000 - symbol: Ti # 15 coordinates: [ 0.172278690000000, 0.639494310000000, 0.836354460000000 ] mass: 47.867000 - symbol: Ti # 16 coordinates: [ 0.671696160000000, 0.646140460000000, 0.833568550000000 ] mass: 47.867000 - symbol: Ti # 17 coordinates: [ 0.353859540000000, 0.328303840000000, 0.666431450000000 ] mass: 47.867000 - symbol: Ti # 18 coordinates: [ 0.360505690000000, 0.827721310000000, 0.663645540000000 ] mass: 47.867000 - 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