# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/f9f8b0ee-149d-48a5-ba69-c3f6f54385ab/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 La2TeO2 / I4/mmm (139) / materials id 4547](https://mdr.nims.go.jp/datasets/1a18eea5-86c0-4fc7-a4a6-340eb6f05646) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "I4/mmm" number: 139 Hall_symbol: "-I 4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - 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[ 2061, 1033 ] - [ 2153, 1034 ] - [ 1550, 1185 ] - [ 1850, 1186 ] - [ 2062, 1189 ] - [ 2154, 1190 ] - [ 1553, 1297 ] - [ 1853, 1298 ] - [ 2063, 1299 ] - [ 2155, 1300 ] - [ 1554, 1389 ] - [ 1854, 1390 ] - [ 2064, 1391 ] - [ 2156, 1392 ]