# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e7de72c7-4143-4b63-a518-aa5a8c3dadf6/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 Na5Y4Si4O16F / I-4 (82) / materials id 557696](https://mdr.nims.go.jp/datasets/0634176d-c147-41e1-b3dd-072e49f863c4) ## 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: "I-4" number: 82 Hall_symbol: "I -4"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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symbol: Y # 9 coordinates: [ 0.793607830000000, 0.090789380000000, 0.933372990000000 ] mass: 88.905850 - symbol: Si # 10 coordinates: [ 0.735582080000000, 0.592900610000000, 0.351434930000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.407099390000000, 0.758534320000000, 0.142681470000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.615852850000000, 0.264417920000000, 0.857318530000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.241465680000000, 0.384147150000000, 0.648565070000000 ] mass: 28.085500 - symbol: O # 14 coordinates: [ 0.371995030000000, 0.870710120000000, 0.277932470000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.793247010000000, 0.553283610000000, 0.826396340000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.315508660000000, 0.081959190000000, 0.864089270000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.334276220000000, 0.775617330000000, 0.966157790000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.446716390000000, 0.273112730000000, 0.239963400000000 ] mass: 15.999400 - 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