# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c4b39728-e75f-4ef3-a6e8-9956264597fa/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 Na2Ge2Se5 / Cmcm (63) / materials id 18619](https://mdr.nims.go.jp/datasets/11ae8129-49a8-4430-a678-0ceab1754bd2) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"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, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.698807925000000, -6.680509035000000, 0.000000000000000 ] # a - [ 6.698807925000000, 6.680509035000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.945825220000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.935820990000000, 0.421485750000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.064179010000000, 0.578514250000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.578514250000000, 0.064179010000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.421485750000000, 0.935820990000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.143275710000000, 0.143275710000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.856724290000000, 0.856724290000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.856724290000000, 0.856724290000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.143275710000000, 0.143275710000000, 0.000000000000000 ] mass: 22.989769 - 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