# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ea716914-d5eb-4cfd-b474-7b66356fd068/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 Ca4Bi6O13 / Cm (8) / materials id 757343](https://mdr.nims.go.jp/datasets/10a8ddf4-bbfe-4e98-b525-ec66d28683e0) ## 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: "Cm" number: 8 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, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Bi # 9 coordinates: [ 0.448585170000000, 0.948593290000000, 0.777005600000000 ] mass: 208.980400 - symbol: Bi # 10 coordinates: [ 0.129072350000000, 0.858236530000000, 0.999923580000000 ] mass: 208.980400 - symbol: Bi # 11 coordinates: [ 0.358254500000000, 0.629090160000000, 0.000003640000000 ] mass: 208.980400 - symbol: Bi # 12 coordinates: [ 0.310483790000000, 0.310483790000000, 0.219822590000000 ] mass: 208.980400 - symbol: Bi # 13 coordinates: [ 0.810507000000000, 0.810507000000000, 0.219851880000000 ] mass: 208.980400 - symbol: Bi # 14 coordinates: [ 0.060073010000000, 0.560075950000000, 0.222980550000000 ] mass: 208.980400 - symbol: Bi # 15 coordinates: [ 0.200568470000000, 0.200568470000000, 0.780132860000000 ] mass: 208.980400 - symbol: Bi # 16 coordinates: [ 0.700558980000000, 0.700558980000000, 0.780192130000000 ] mass: 208.980400 - symbol: Bi # 17 coordinates: [ 0.948593290000000, 0.448585170000000, 0.777005600000000 ] mass: 208.980400 - symbol: Bi # 18 coordinates: [ 0.629090160000000, 0.358254500000000, 0.000003640000000 ] mass: 208.980400 - 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