# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4b233f99-c001-488b-ac82-cdf9faeb42f1/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 CaSiO3 / C2/c (15) / materials id 561086](https://mdr.nims.go.jp/datasets/1b6a7230-bd37-4587-9b79-0d0df74c50b6) ## 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/c" number: 15 Hall_symbol: "-C 2yc"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: - [ 3.404509325000000, -5.907115315000000, 0.000705115000000 ] # a - [ 3.404509325000000, 5.907115315000000, 0.000705115000000 ] # b - [ -0.219826340000000, 0.000000000000000, 19.568769580000001 ] # c points: - symbol: Ca # 1 coordinates: [ 0.671715810000000, 0.328284190000000, 0.250000000000000 ] mass: 40.078000 - symbol: Ca # 2 coordinates: [ 0.328284190000000, 0.671715810000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 3 coordinates: [ 0.004188940000000, 0.995811060000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 4 coordinates: [ 0.654002090000000, 0.324377610000000, 0.999548560000000 ] mass: 40.078000 - symbol: Ca # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 40.078000 - symbol: Ca # 6 coordinates: [ 0.658095920000000, 0.341904080000000, 0.750000000000000 ] mass: 40.078000 - symbol: Ca # 7 coordinates: [ 0.675622390000000, 0.345997910000000, 0.500451440000000 ] mass: 40.078000 - symbol: Ca # 8 coordinates: [ 0.345997910000000, 0.675622390000000, 0.000451440000000 ] mass: 40.078000 - 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