# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/142e71a4-558c-4984-830d-bec00bb3127c/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 Dy3Si2Cl5O6 / C2/m (12) / materials id 560593](https://mdr.nims.go.jp/datasets/7ced5f44-f891-45b5-9627-cdccd567d397) ## 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: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.284882875000000, -5.156119150000000, 0.000278985000000 ] # a - [ 5.284882875000000, 5.156119150000000, 0.000278985000000 ] # b - [ -2.655352350000000, 0.000000000000000, 11.194205510000000 ] # c points: - symbol: Dy # 1 coordinates: [ 0.917437060000000, 0.415754500000000, 0.667949130000000 ] mass: 162.500000 - symbol: Dy # 2 coordinates: [ 0.584245500000000, 0.082562940000000, 0.332050870000000 ] mass: 162.500000 - symbol: Dy # 3 coordinates: [ 0.082562940000000, 0.584245500000000, 0.332050870000000 ] mass: 162.500000 - symbol: Dy # 4 coordinates: [ 0.415754500000000, 0.917437060000000, 0.667949130000000 ] mass: 162.500000 - symbol: Dy # 5 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 162.500000 - symbol: Dy # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 162.500000 - symbol: Si # 7 coordinates: [ 0.890403940000000, 0.183153440000000, 0.146518380000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.816846560000000, 0.109596060000000, 0.853481620000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.109596060000000, 0.816846560000000, 0.853481620000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.183153440000000, 0.890403940000000, 0.146518380000000 ] mass: 28.085500 - symbol: Cl # 11 coordinates: [ 0.690391890000000, 0.690391890000000, 0.998502830000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.213266660000000, 0.213266660000000, 0.658916730000000 ] mass: 35.453000 - symbol: Cl # 13 coordinates: [ 0.309608110000000, 0.309608110000000, 0.001497170000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.372678200000000, 0.372678200000000, 0.361835130000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.627321800000000, 0.627321800000000, 0.638164870000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.668872070000000, 0.121282610000000, 0.580549340000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.331127930000000, 0.878717390000000, 0.419450660000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.121282610000000, 0.668872070000000, 0.580549340000000 ] mass: 35.453000 - 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