# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/16383617-9544-4365-ab28-f4edddf619e3/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 Ba2Mg3H10 / C2/m (12) / materials id 733604](https://mdr.nims.go.jp/datasets/fd5147fd-ef14-4b89-8b4d-52c835e3ee91) ## 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: - 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symbol: Mg # 9 coordinates: [ 0.744185000000000, 0.255815000000000, 0.000000000000000 ] mass: 24.305000 - symbol: Mg # 10 coordinates: [ 0.255815000000000, 0.744185000000000, 0.000000000000000 ] mass: 24.305000 - symbol: H # 11 coordinates: [ 0.844642860000000, 0.376489720000000, 0.019570860000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.376489720000000, 0.844642860000000, 0.019570860000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.155357140000000, 0.623510280000000, 0.980429140000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.623510280000000, 0.155357140000000, 0.980429140000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.912803760000000, 0.389683000000000, 0.485552460000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.389683000000000, 0.912803760000000, 0.485552460000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.087196240000000, 0.610317000000000, 0.514447540000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.610317000000000, 0.087196240000000, 0.514447540000000 ] mass: 1.007940 - 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