# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/466845cf-e9fc-466c-9c40-0b2d8fc85fdf/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 Na5Zr4Si3(PO8)3 / R32 (155) / materials id 686583](https://mdr.nims.go.jp/datasets/0eed4504-48dd-437b-b9ec-0ade8dbff79e) ## 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: "R32" number: 155 Hall_symbol: "R 3 2\""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: Zr # 9 coordinates: [ 0.604436150000000, 0.604436140000003, 0.604436150000000 ] mass: 91.224000 - symbol: Si # 10 coordinates: [ 0.209396120000000, 0.790603870000002, 0.500000000000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.500000000000000, 0.209396120000002, 0.790603870000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.790603870000000, 0.500000000000002, 0.209396120000000 ] mass: 28.085500 - symbol: P # 13 coordinates: [ 0.699921480000000, 1.000000000000000, 0.300078520000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 1.000000000000000, 0.300078520000000, 0.699921480000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.300078520000000, 0.699921480000000, 0.000000000000000 ] mass: 30.973762 - symbol: O # 16 coordinates: [ 0.257547080000000, 0.858435840000000, 0.051796670000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.858435850000000, 0.051796660000000, 0.257547080000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.025661160000000, 0.821991590000003, 0.673900590000000 ] mass: 15.999400 - 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