# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/36b8c24b-cee3-4afd-b0ca-b22c8ba2e237/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 Sr2Ti6N2O11 / Cm (8) / materials id 755078](https://mdr.nims.go.jp/datasets/a1d3f4f1-a93d-49e3-b80e-5b1ca08f3c91) ## 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: "Cm" number: 8 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, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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symbol: N # 9 coordinates: [ 0.769242470000000, 0.769242470000000, 0.751754870000000 ] mass: 14.006700 - symbol: N # 10 coordinates: [ 0.161206100000000, 0.161206100000000, 0.901033300000000 ] mass: 14.006700 - symbol: O # 11 coordinates: [ 0.940958910000000, 0.940958910000000, 0.713201450000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.875857530000000, 0.875857530000000, 0.384604270000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.838969590000000, 0.838969590000000, 0.092924980000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.368733550000000, 0.368733550000000, 0.898797870000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.307821340000000, 0.307821340000000, 0.566865180000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.243321240000000, 0.243321240000000, 0.245200570000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.704961060000000, 0.704961060000000, 0.429195510000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.640502090000000, 0.640502090000000, 0.124019190000000 ] mass: 15.999400 - 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