# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/715c10a0-522a-4e88-96fb-bf16de083247/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 LiGa(SiO3)2 / P2_1/c (14) / materials id 6241](https://mdr.nims.go.jp/datasets/53e979cc-82e3-4081-93fc-c7135a60d98e) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.184412150000000, 0.000000000000000, -0.046618990000000 ] # a - [ 0.000000000000000, 8.605654060000001, 0.000000000000000 ] # b - 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symbol: Ga # 40 coordinates: [ 0.749625030000000, 0.849826290000000, 0.479717220000000 ] mass: 69.723000 reciprocal_lattice: # without 2pi - [ 0.108999344831483, 0.000000000000000, 0.023486287719116 ] # a* - [ 0.000000000000000, 0.116202672455555, 0.000000000000000 ] # b* - [ 0.000992033900391, 0.000000000000000, 0.195440703626720 ] # c*unit_cell: lattice: - [ 9.184412150000000, 0.000000000000000, -0.046618990000000 ] # a - [ 0.000000000000000, 8.605654060000001, 0.000000000000000 ] # b - [ -1.103699190000000, 0.000000000000000, 5.122243670000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.249039530000000, 0.992137390000000, 0.018923430000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.750960470000000, 0.492137390000000, 0.481076570000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.750960470000000, 0.007862610000000, 0.981076570000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.249039530000000, 0.507862610000000, 0.518923430000000 ] mass: 6.941000 reduced_to: 4 - 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