# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/03cbc4e5-e9c7-482f-ba6f-3ec57da89671/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 Ge3Pb5O11 / P-6 (174) / materials id 557667](https://mdr.nims.go.jp/datasets/3e8537b7-29e6-4638-be6e-f066482b59ac) ## 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: "P-6" number: 174 Hall_symbol: "P -6"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.199180330000001, 0.000000010000000, 0.000000000000000 ] # a - [ -5.099590160000000, 8.832749280000000, 0.000000000000000 ] # b - 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symbol: O # 29 coordinates: [ 0.088517390000000, 0.746298080000000, 0.626546390000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.910944070000000, 0.229152640000000, 0.264708580000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.770847360000000, 0.681791440000000, 0.264708580000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.180079980000000, 0.484436220000000, 0.163823940000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.591060100000000, 0.109863780000000, 0.161651490000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.515563780000000, 0.695643750000000, 0.163823940000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.770847360000000, 0.681791440000000, 0.735291420000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.318208560000000, 0.089055930000000, 0.264708580000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.180079980000000, 0.484436220000000, 0.836176060000000 ] mass: 15.999400 reduced_to: 37 - 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