# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/332cfa5b-e2f2-4da7-b280-b3fd9ff31b49/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 ZnS / R3m (160) / materials id 18377](https://mdr.nims.go.jp/datasets/b7d85467-b25c-4bf2-9a00-7f63dba3d6e5) ## 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: "R3m" number: 160 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: Zn # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.966444910000000 ] mass: 65.380000 reduced_to: 31 - symbol: Zn # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.933116770000000 ] mass: 65.380000 reduced_to: 32 - symbol: Zn # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.899764760000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.866433450000000 ] mass: 65.380000 reduced_to: 34 - symbol: Zn # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833080970000000 ] mass: 65.380000 reduced_to: 35 - symbol: Zn # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.799747720000000 ] mass: 65.380000 reduced_to: 36 - symbol: Zn # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.766399820000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 38 coordinates: [ 0.000000000000000, 0.000000000000000, 0.733054600000000 ] mass: 65.380000 reduced_to: 38 - symbol: Zn # 39 coordinates: [ 0.666666670000000, 0.333333330000000, 0.699758530000000 ] mass: 65.380000 reduced_to: 39 - 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