# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7026d5eb-b3c2-4d64-b64c-09383a6e0bd4/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 Na7SbO6 / R3 (146) / materials id 760311](https://mdr.nims.go.jp/datasets/f9702535-1a7a-4fec-b289-c31b96026de9) ## 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: "R3" number: 146 Hall_symbol: "R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: O # 9 coordinates: [ 0.888720630000000, 0.678438210000003, 0.213144830000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.812814840000000, 0.077266710000002, 0.336972230000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.336972230000000, 0.812814830000002, 0.077266720000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.678438200000000, 0.213144840000003, 0.888720630000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.213144830000000, 0.888720640000003, 0.678438200000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.077266720000000, 0.336972220000002, 0.812814840000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.155065406343459, 0.089527055117339, 0.065362290607670 ] # a* - [ -0.155065407454063, 0.089527053451433, 0.065362290607670 ] # b* - [ 0.000000001110604, -0.179054108568771, 0.065362290607670 ] # c*unit_cell: lattice: - [ 6.448891600000000, 0.000000040000000, 0.000000000000000 ] # a - [ -3.224445830000000, 5.584903940000000, 0.000000000000000 ] # b - 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