# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5bee2b81-a5cd-49ff-bca7-85b7bedbec1b/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 CaTiSiO5 / P-1 (2) / materials id 6109](https://mdr.nims.go.jp/datasets/d70101fb-e96d-492e-9560-5f9a29d39c89) ## 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: "P-1" number: 2 Hall_symbol: "-P 1"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.565396590000000, 0.000003300000000, 0.013397260000000 ] # a - [ 0.000004360000000, 8.684905990000001, -0.000001620000000 ] # b - [ -2.863098090000000, -0.000002640000000, 6.435398380000000 ] # c points: - 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