# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0e810610-366b-4203-b852-72c2f11f159a/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 Li2SeO4 / R-3 (148) / materials id 4855](https://mdr.nims.go.jp/datasets/488aa7e9-b397-4543-9845-1c620c4a1886) ## 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: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: Li # 9 coordinates: [ 0.397863080000000, 0.622820600000002, 0.223015330000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.776984670000000, 0.602136910000003, 0.377179390000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.377179390000000, 0.776984670000003, 0.602136910000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.602136910000000, 0.377179390000003, 0.776984670000000 ] mass: 6.941000 - symbol: O # 13 coordinates: [ 0.811061310000000, 0.472853110000003, 0.522984070000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.477015930000000, 0.188938700000002, 0.527146890000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.188938700000000, 0.527146890000002, 0.477015930000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.527146890000000, 0.477015930000002, 0.188938700000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.522984070000000, 0.811061310000003, 0.472853110000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.465041710000000, 0.138561290000002, 0.146331350000000 ] mass: 15.999400 - 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