# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/65218603-7072-47d2-8947-1a5fd2b9d920/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 La(SiP3)2 / Cmc2_1 (36) / materials id 29186](https://mdr.nims.go.jp/datasets/daa7678e-652f-49e2-9156-1b812202c7d7) ## 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: "Cmc2_1" number: 36 Hall_symbol: "C 2c -2"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: - 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symbol: Si # 9 coordinates: [ 0.350385160000000, 0.993341700000000, 0.385150530000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.758989790000000, 0.919861610000000, 0.677712680000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.919861610000000, 0.758989790000000, 0.177712680000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.080138390000000, 0.241010210000000, 0.677712680000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.603593920000000, 0.736545980000000, 0.357435150000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.396406080000000, 0.263454020000000, 0.857435150000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.263454020000000, 0.396406080000000, 0.357435150000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.736545980000000, 0.603593920000000, 0.857435150000000 ] mass: 28.085500 - symbol: P # 17 coordinates: [ 0.900938100000000, 0.431406660000000, 0.385502200000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.227554520000000, 0.772445480000000, 0.406019630000000 ] mass: 30.973762 - 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