# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/608e0b9d-b38f-48ee-ab29-fd8c7a075009/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 NaSc(BH4)4 / Cmcm (63) / materials id 866649](https://mdr.nims.go.jp/datasets/db6c149f-f32f-4e57-b1f9-c4704760ae53) ## 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, 1 ]primitive_cell: lattice: - 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symbol: B # 9 coordinates: [ 0.000000000000000, 0.755466240000000, 0.467300910000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.000000000000000, 0.244533760000000, 0.967300910000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.000000000000000, 0.244533760000000, 0.532699090000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.000000000000000, 0.755466240000000, 0.032699090000000 ] mass: 10.811000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.236583220000000, 0.526433340000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.763416780000000, 0.473566660000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.236583220000000, 0.473566660000000, 0.750000000000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.763416780000000, 0.526433340000000, 0.250000000000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.500000000000000, 0.255466240000000, 0.467300910000000 ] mass: 10.811000 reduced_to: 9 - 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