# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2ebb3d4f-a9c0-487c-a554-854af5c150f5/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 LiSm2OsO6 / P2_1/c (14) / materials id 12448](https://mdr.nims.go.jp/datasets/b2ac6666-94d8-455e-95a3-e99e3e4cfc1e) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.295215040000000, 0.000000000000000, 0.010694230000000 ] # a - [ 0.000000000000000, 5.744667980000000, 0.000000000000000 ] # b - 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symbol: Os # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 190.230000 reciprocal_lattice: # without 2pi - [ 0.188588661208406, 0.000000000000000, 0.129273897773085 ] # a* - [ 0.000000000000000, 0.174074464091134, 0.000000000000000 ] # b* - [ -0.000266732103820, 0.000000000000000, 0.132071579514994 ] # c*unit_cell: lattice: - [ 5.295215040000000, 0.000000000000000, 0.010694230000000 ] # a - [ 0.000000000000000, 5.744667980000000, 0.000000000000000 ] # b - [ -5.183046120000000, 0.000000000000000, 7.561184010000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.729320420000000, 0.708178290000000, 0.554362600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.270679580000000, 0.208178290000000, 0.945637400000000 ] mass: 15.999400 reduced_to: 4 - 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