# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/dac5fa50-d9cb-4d51-abdc-c7a35a99e40d/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 Ti9SnO20 / C2/m (12) / materials id 761148](https://mdr.nims.go.jp/datasets/541dea4b-223d-409a-a407-5a4b97b4e070) ## 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/m" number: 12 Hall_symbol: "-C 2y"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, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.782207345000000, -3.264419990000000, 0.006239495000000 ] # a - [ 6.782207345000000, 3.264419990000000, 0.006239495000000 ] # b - [ -0.555337010000000, 0.000000000000000, 7.166014700000000 ] # c points: - symbol: Ti # 1 coordinates: [ 0.701178360000000, 0.701178360000000, 0.689733960000000 ] mass: 47.867000 - symbol: Ti # 2 coordinates: [ 0.706836400000000, 0.706836400000000, 0.194390710000000 ] mass: 47.867000 - symbol: Ti # 3 coordinates: [ 0.298821640000000, 0.298821640000000, 0.310266040000000 ] mass: 47.867000 - symbol: Ti # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 47.867000 - symbol: Ti # 5 coordinates: [ 0.293163600000000, 0.293163600000000, 0.805609290000000 ] mass: 47.867000 - symbol: Ti # 6 coordinates: [ 0.900143900000000, 0.900143900000000, 0.406149560000000 ] mass: 47.867000 - symbol: Ti # 7 coordinates: [ 0.099856100000000, 0.099856100000000, 0.593850440000000 ] mass: 47.867000 - symbol: Ti # 8 coordinates: [ 0.900318800000000, 0.900318800000000, 0.904535100000000 ] mass: 47.867000 - symbol: Ti # 9 coordinates: [ 0.099681200000000, 0.099681200000000, 0.095464900000000 ] mass: 47.867000 - symbol: Sn # 10 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 118.710000 - symbol: O # 11 coordinates: [ 0.003410100000000, 0.393954560000000, 0.699231440000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.393954560000000, 0.003410100000000, 0.699231440000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.996589900000000, 0.606045440000000, 0.300768560000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.361019790000000, 0.361019790000000, 0.556557100000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.239991970000000, 0.239991970000000, 0.046040160000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.437245640000000, 0.437245640000000, 0.249936100000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.838522360000000, 0.838522360000000, 0.640084480000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.638980210000000, 0.638980210000000, 0.443442900000000 ] mass: 15.999400 - 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