# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8cacd7dd-5b6c-48bf-a0e7-b44dfe3c797c/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 Ba4LaGe3SbSe13 / P2_1/c (14) / materials id 683936](https://mdr.nims.go.jp/datasets/83e61845-45f1-4bad-a9ec-6ba54196cf3e) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 16.232342580000001, 0.000000000000000, 0.032294430000000 ] # a - [ 0.000000000000000, 12.445803039999999, 0.000000000000000 ] # b - 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symbol: Ba # 7 coordinates: [ 0.254952210000000, 0.828889270000000, 0.271181480000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.151037200000000, 0.173103150000000, 0.351912550000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.151037200000000, 0.326896850000000, 0.851912550000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.848962800000000, 0.673103150000000, 0.148087450000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.052772100000000, 0.677966490000000, 0.454538730000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.637042470000000, 0.815407290000000, 0.344439860000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.362957530000000, 0.315407290000000, 0.155560140000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.745047790000000, 0.328889270000000, 0.228818520000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.745047790000000, 0.171110730000000, 0.728818520000000 ] mass: 137.327000 reduced_to: 15 - 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