# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cd3c8180-5386-4615-a996-5fd33109d632/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 NaLiSO4 / P31c (159) / materials id 6783](https://mdr.nims.go.jp/datasets/c7624107-aa4d-4eb9-8f49-1a888511cdb1) ## 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: "P31c" number: 159 Hall_symbol: "P 3 -2c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.617317560000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.808658780000000, 6.596790530000000, 0.000000000000000 ] # b - 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symbol: O # 10 coordinates: [ 0.317497170000000, 0.476365050000000, 0.315452650000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.158867890000000, 0.682502830000000, 0.315452650000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.523634950000000, 0.841132110000000, 0.315452650000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.154609060000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.654609060000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.346269330000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.846269330000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.113334830000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.613334830000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.788025130000000, 0.886796280000000, 0.950777480000000 ] mass: 15.999400 - 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