# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/2b3189f7-7082-4202-9d20-251f76fa55e6/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 Tm(ClO4)3 / P6_3/m (176) / materials id 778001](https://mdr.nims.go.jp/datasets/338a8e11-e3de-4053-b0c9-5234f5c85d7b) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "P6_3/m" number: 176 Hall_symbol: "-P 6c"primitive_matrix:- [ 1.000000000000000, 0.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 1.000000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.233759013378929, 0.000000000000000, 0.000000000000000 ] # a - 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[ 0.000000000000000, 0.000000000000000, -0.630462111875000 ] dielectric_constant: - [ 2.671922309999999, -0.000002590000000, 0.000000000000000 ] - [ 0.000002590000000, 2.671922310000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.873212039999999 ] unit_conversion_factor: 14.399652dataset: displacements: - # 1 - [ 0.0257173698749075, 0.0086150757380994, -0.0128217532632636 ] - [ -0.0260348608478130, 0.0049247509022182, -0.0140688609768565 ] - [ 0.0149832792809156, 0.0200230789825930, 0.0165703847283920 ] - [ -0.0251854794933258, -0.0015110611272081, -0.0162298588090317 ] - [ -0.0286082580124197, -0.0088427824813207, -0.0018365106813943 ] - [ 0.0229767682275225, -0.0044325712186054, -0.0187728643049138 ] - [ -0.0167604856362597, -0.0214742999591492, -0.0125674405708249 ] - [ -0.0260500671449455, -0.0138504608692713, -0.0054367945935649 ] - [ -0.0200202491566330, -0.0150263866205545, -0.0165347309877106 ] - [ 0.0210928790803928, -0.0086185251438023, 0.0195143915212741 ] - 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