# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/69f8cfb1-2150-42ef-b7cd-8aff33d4efc7/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 TiSn9O20 / C2/m (12) / materials id 766163](https://mdr.nims.go.jp/datasets/74ecc3db-0775-4d36-91e0-af31f3369c0f) ## 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/m" number: 12 Hall_symbol: "-C 2y"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, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.217213395000000, -3.360955060000000, 0.012013380000000 ] # a - [ 7.217213395000000, 3.360955060000000, 0.012013380000000 ] # b - [ -0.324321740000000, 0.000000000000000, 7.437628180000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 47.867000 - symbol: Sn # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 118.710000 - symbol: Sn # 3 coordinates: [ 0.802581140000000, 0.802581140000000, 0.801036130000000 ] mass: 118.710000 - symbol: Sn # 4 coordinates: [ 0.600926680000000, 0.600926680000000, 0.598463540000000 ] mass: 118.710000 - symbol: Sn # 5 coordinates: [ 0.401406950000000, 0.401406950000000, 0.902550890000000 ] mass: 118.710000 - symbol: Sn # 6 coordinates: [ 0.800607540000000, 0.800607540000000, 0.298055300000000 ] mass: 118.710000 - symbol: Sn # 7 coordinates: [ 0.199392460000000, 0.199392460000000, 0.701944700000000 ] mass: 118.710000 - symbol: Sn # 8 coordinates: [ 0.598593050000000, 0.598593050000000, 0.097449110000000 ] mass: 118.710000 - symbol: Sn # 9 coordinates: [ 0.399073320000000, 0.399073320000000, 0.401536460000000 ] mass: 118.710000 - symbol: Sn # 10 coordinates: [ 0.197418860000000, 0.197418860000000, 0.198963870000000 ] mass: 118.710000 - symbol: O # 11 coordinates: [ 0.298249230000000, 0.701750770000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.295330400000000, 0.906786660000000, 0.594563120000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.701750770000000, 0.298249230000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.662175240000000, 0.662175240000000, 0.854452170000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.943919430000000, 0.943919430000000, 0.754210970000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.132255370000000, 0.132255370000000, 0.942917660000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.740158970000000, 0.740158970000000, 0.544668190000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.538040990000000, 0.538040990000000, 0.343413220000000 ] mass: 15.999400 - 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