# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/06dc8f67-7e7a-4e3f-873d-7cb9fa1ca8dd/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 In2PbS4 / Pnma (62) / materials id 619279](https://mdr.nims.go.jp/datasets/0d95fbed-dd02-4539-bd0a-7de0affe3b79) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 11.569739170000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.844003630000000, 0.000000000000000 ] # b - 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symbol: Pb # 10 coordinates: [ 0.739648010000000, 0.250000000000000, 0.664372220000000 ] mass: 207.200000 - symbol: Pb # 11 coordinates: [ 0.760351990000000, 0.750000000000000, 0.164372220000000 ] mass: 207.200000 - symbol: Pb # 12 coordinates: [ 0.239648010000000, 0.250000000000000, 0.835627780000000 ] mass: 207.200000 - symbol: S # 13 coordinates: [ 0.374149050000000, 0.250000000000000, 0.471733220000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.528918790000000, 0.750000000000000, 0.282361020000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.908950620000000, 0.750000000000000, 0.575035020000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.874149050000000, 0.250000000000000, 0.028266780000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.408950620000000, 0.750000000000000, 0.924964980000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.125850950000000, 0.750000000000000, 0.971733220000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.706009780000000, 0.750000000000000, 0.835731040000000 ] mass: 32.065000 - 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