# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8638bc62-1033-4e74-84d2-c7761b00fa77/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 ZrGeO4 / I4_1/a (88) / materials id 8042](https://mdr.nims.go.jp/datasets/682ac3b0-507c-483d-aff9-1bac9964eb67) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "I4_1/a" number: 88 Hall_symbol: "I 4bw -1bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ -0.274857400000000, 0.313496500000000, -2.178229460000000 ]- # 9 (Ge) - [ 4.259697350000000, 0.021038530000000, -0.000000000000000 ] - [ -0.021038530000000, 4.259697350000000, -0.000000000000000 ] - [ 0.000000000000000, -0.000000000000000, 3.549472470000000 ]- # 10 (Ge) - [ 4.259697350000000, 0.021038530000000, -0.000000000000000 ] - [ -0.021038530000000, 4.259697350000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 3.549472470000000 ]- # 11 (Zr) - [ 5.226956660000000, -0.067063140000000, 0.000000000000000 ] - [ 0.067063140000000, 5.226956660000000, -0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 5.163445360000000 ]- # 12 (Zr) - [ 5.226956660000000, -0.067063140000000, -0.000000000000000 ] - [ 0.067063140000000, 5.226956660000000, -0.000000000000000 ] - [ -0.000000000000000, 0.000000000000000, 5.163445360000000 ]dielectric_constant: - [ 5.033175380000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.033175380000000, 0.000000000000000 ] - 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