# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/9f1ba270-374f-47a8-b837-c3066ccb3bb2/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 [First-principles lattice thermal conductivity calculation for TiNb3O6 / R-3 (148) / materials id 29699](https://mdr.nims.go.jp/datasets/8a61a0f1-6165-4cac-8478-9d2715d9d352) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.959385850223160, 2.285952486451932, 4.812682206666661 ] # a - 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# 102 - [ -0.1409703200000000, 0.1006548600000000, -0.2333136200000000 ] - [ -0.0461372400000000, -0.1830066100000000, 0.0499263200000000 ] - [ 0.3829285900000000, -0.1952935500000000, -0.1591322900000000 ] - [ 0.0372487100000000, -0.0113711800000000, -0.0080966400000000 ] - [ -0.1637219200000000, -0.1212970600000000, 0.0874278500000000 ] - [ -0.4868105200000000, 0.4604002100000000, 0.3937677800000000 ] - [ 0.0664759700000000, -0.4067547100000000, -0.1337527200000000 ] - [ 0.4096869000000000, 0.1997593900000000, 0.2965760600000000 ] - [ -0.1673428800000000, 0.2270274700000000, -0.2485370800000000 ] - [ -0.1493222600000000, -0.0784115300000000, 0.2025846500000000 ] - [ -0.0272003100000000, 0.1212457200000000, 0.3117677500000000 ] - [ -0.0638772400000000, 0.1166746000000000, 0.2928265900000000 ] - [ -0.3373341800000000, -0.2002146700000000, -0.3493604400000000 ] - [ -0.2324280900000000, 0.3021196200000000, 0.2741149700000000 ] - [ -0.0855894700000000, 0.1939743300000000, 0.0141756800000000 ] - 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