# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0daf6b9e-2751-4f6f-9894-7fde77838bd7/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 Ti4P6PbO24 / R-3 (148) / materials id 554218](https://mdr.nims.go.jp/datasets/23ba6898-e137-4620-92f6-cac255af638d) ## 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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[ 0.000000000000000, 0.000000000000000, 22.680517030000001 ] # c points: - symbol: Ti # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.183992080000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.149341260000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.022014090000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.311319250000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.517325410000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.482674590000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.355347420000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.644652580000000 ] mass: 47.867000 reduced_to: 4 - 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