# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6ebd242a-3503-44d6-8277-06290243fb8c/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 SiO2 / C2/c (15) / materials id 11684](https://mdr.nims.go.jp/datasets/70eeb2f9-331b-454a-aa8b-81a0f82f860c) ## 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:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - 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symbol: Si # 76 coordinates: [ 0.817882580000000, 0.358529080000000, 0.713786730000000 ] mass: 28.085500 reduced_to: 75 - symbol: Si # 77 coordinates: [ 0.817882580000000, 0.641470920000000, 0.463786730000000 ] mass: 28.085500 reduced_to: 77 - symbol: Si # 78 coordinates: [ 0.817882580000000, 0.641470920000000, 0.963786730000000 ] mass: 28.085500 reduced_to: 77 - symbol: Si # 79 coordinates: [ 0.682117420000000, 0.141470920000000, 0.286213270000000 ] mass: 28.085500 reduced_to: 79 - symbol: Si # 80 coordinates: [ 0.682117420000000, 0.141470920000000, 0.786213270000000 ] mass: 28.085500 reduced_to: 79 - symbol: Si # 81 coordinates: [ 0.283991220000000, 0.408196820000000, 0.270543270000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 82 coordinates: [ 0.283991220000000, 0.408196820000000, 0.770543270000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 83 coordinates: [ 0.216008780000000, 0.908196820000000, 0.479456730000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 84 coordinates: [ 0.216008780000000, 0.908196820000000, 0.979456730000000 ] mass: 28.085500 reduced_to: 67 - 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