# Fileset [phonopy_training_dataset.yaml.xz](https://mdr.nims.go.jp/filesets/cb54a375-3960-4899-837b-31c2b7050195/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 Dy2P4O13 / C2/c (15) / materials id 771306](https://mdr.nims.go.jp/datasets/7a8d339f-b5e5-492d-af91-fed0580f8e95) ## Fulltext phonopy: version: "2.24.2" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.893301425014636, -3.362691820000000, 0.000000000000000 ] # a - 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# 24 (O) - [ -1.188791790526317, 0.000000000000000, 0.425502601052631 ] - [ 0.000000000000000, -0.948597670526315, 0.000000000000000 ] - [ 0.377596538947368, 0.000000000000000, -3.114805608421053 ] - # 25 (O) - [ -1.816875480526317, 0.124942490000000, -0.131011608947368 ] - [ 0.209967190000000, -1.705138140526316, -0.620485710000000 ] - [ -0.109142031052632, -0.681486830000000, -1.538083168421053 ] - # 26 (O) - [ -1.816875480526317, 0.124942490000000, -0.131011608947368 ] - [ 0.209967190000000, -1.705138140526316, -0.620485710000000 ] - [ -0.109142031052632, -0.681486830000000, -1.538083168421053 ] - # 27 (O) - [ -1.188791790526317, 0.000000000000000, 0.425502601052631 ] - [ 0.000000000000000, -0.948597670526315, 0.000000000000000 ] - [ 0.377596538947368, 0.000000000000000, -3.114805608421053 ] - # 28 (O) - [ -1.205704730526316, -0.141058170000000, 0.471637771052632 ] - [ 0.160450790000000, -2.343614480526315, 0.385487870000000 ] - [ 0.450947208947368, 0.270230170000000, -1.771064818421052 ] - # 29 (O) - [ -1.258653660526317, 0.295611670000000, 0.371793281052632 ] - [ 0.088820790000000, -2.378957370526316, -0.582052320000000 ] - [ 0.332933778947368, -0.321059700000000, -1.797766098421053 ] - # 30 (O) - [ -1.052389670526316, 0.120958550000000, 0.082566021052631 ] - [ 0.168561780000000, -1.110454460526315, 0.072884040000000 ] - [ 0.034860078947368, 0.057718340000000, -3.179386058421052 ] - # 31 (O) - [ -1.816875480526317, -0.124942490000000, -0.131011608947368 ] - [ -0.209967190000000, -1.705138140526316, 0.620485710000000 ] - [ -0.109142031052632, 0.681486830000000, -1.538083168421053 ] - # 32 (O) - [ -1.205704730526316, 0.141058170000000, 0.471637771052632 ] - [ -0.160450790000000, -2.343614480526315, -0.385487870000000 ] - [ 0.450947208947368, -0.270230170000000, -1.771064818421052 ] - # 33 (O) - [ -1.258653660526317, -0.295611670000000, 0.371793281052632 ] - [ -0.088820790000000, -2.378957370526316, 0.582052320000000 ] - [ 0.332933778947368, 0.321059700000000, -1.797766098421053 ] - # 34 (O) - [ -1.052389670526316, -0.120958550000000, 0.082566021052631 ] - [ -0.168561780000000, -1.110454460526315, -0.072884040000000 ] - [ 0.034860078947368, -0.057718340000000, -3.179386058421052 ] - # 35 (O) - [ -3.204766780526317, 0.844031580000000, -0.266652988947368 ] - [ 0.807193390000000, -1.173625320526315, 0.152725800000000 ] - [ -0.081146991052632, 0.058942140000000, -1.025747398421053 ] - # 36 (O) - [ -2.347352030526317, 0.525161390000000, -0.407435418947368 ] - [ 0.443910950000000, -1.247456730526315, 0.172038080000000 ] - [ -0.493432931052632, 0.310760540000000, -1.242049388421053 ] - # 37 (O) - [ -3.204766780526317, -0.844031580000000, -0.266652988947368 ] - [ -0.807193390000000, -1.173625320526315, -0.152725800000000 ] - [ -0.081146991052632, -0.058942140000000, -1.025747398421053 ] - # 38 (O) - [ -2.347352030526317, -0.525161390000000, -0.407435418947368 ] - [ -0.443910950000000, -1.247456730526315, -0.172038080000000 ] - [ -0.493432931052632, -0.310760540000000, -1.242049388421053 ] dielectric_constant: - 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