# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/72170826-d222-43a1-90f7-c24b8a0ebfc1/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 Yb(Na5Sn6)2 / I-43m (217) / materials id 18062](https://mdr.nims.go.jp/datasets/cbd6b3f6-0cd4-444b-a805-87345611f038) ## 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: "I-43m" number: 217 Hall_symbol: "I -4 2 3"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -5.542097055000000, 5.542097055000000, 5.542097055000000 ] # a - [ 5.542097055000000, -5.542097055000000, 5.542097055000000 ] # b - [ 5.542097055000000, 5.542097055000000, -5.542097055000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.500000000000000, 0.250000000000000, 0.750000000000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.500000000000000, 0.750000000000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.613806320000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.386193680000000, 0.386193680000000, 0.386193680000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.000000000000000, 0.613806320000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.613806320000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 - symbol: Sn # 11 coordinates: [ 0.000000000000000, 0.188268610000000, 0.370461490000000 ] mass: 118.710000 - symbol: Sn # 12 coordinates: [ 0.811731390000000, 0.182192880000000, 0.811731390000000 ] mass: 118.710000 - symbol: Sn # 13 coordinates: [ 0.629538510000000, 0.629538510000000, 0.817807120000000 ] mass: 118.710000 - symbol: Sn # 14 coordinates: [ 0.370461490000000, 0.188268610000000, 0.000000000000000 ] mass: 118.710000 - symbol: Sn # 15 coordinates: [ 0.188268610000000, 0.370461490000000, 0.000000000000000 ] mass: 118.710000 - symbol: Sn # 16 coordinates: [ 0.370461490000000, 0.000000000000000, 0.188268610000000 ] mass: 118.710000 - symbol: Sn # 17 coordinates: [ 0.629538510000000, 0.817807120000000, 0.629538510000000 ] mass: 118.710000 - symbol: Sn # 18 coordinates: [ 0.817807120000000, 0.629538510000000, 0.629538510000000 ] mass: 118.710000 - 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