# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1e0aee09-c6c6-4c55-9059-bf80ee900df6/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 NaLaO2 / C2/c (15) / materials id 755015](https://mdr.nims.go.jp/datasets/1311e897-190d-425c-9b4b-af8ba9396b90) ## 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:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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symbol: O # 9 coordinates: [ 0.550769890000000, 0.924061450000000, 0.196216040000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.714346730000000, 0.837790110000000, 0.803776480000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.162209890000000, 0.285653270000000, 0.696223520000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.924061450000000, 0.550769890000000, 0.696216040000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.075938550000000, 0.449230110000000, 0.303783960000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.837790110000000, 0.714346730000000, 0.303776480000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.285653270000000, 0.162209890000000, 0.196223520000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.449230110000000, 0.075938550000000, 0.803783960000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.146644583413052, -0.072116963439474, 0.091459775586353 ] # a* - [ 0.146644583413052, 0.072116963439474, 0.091459775586353 ] # b* - 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