# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9dda5afa-221e-4913-81d3-b8da86c26f2e/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 DyInO3 / P6_3cm (185) / materials id 768149](https://mdr.nims.go.jp/datasets/00bbdf3a-61d6-4f5c-80a7-329ccf1088ea) ## Fulltext elements: [Dy, In, O]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [162.5, 114.8, 16.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [3.869019587523740e+03, 1.491871877590514e+02, 4.091916657312783e-01, 8.347596589788219e+02, 2.337953449581300e-01, 6.443221991057427e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.828635509369310e+05, 0.000000000000000e+00, 2.721361576625403e+05, 0.000000000000000e+00, -6.874024102605101e+04, 5.854086408063886e+01, -2.191300255754623e+02, 7.395957286972832e+03, 0.000000000000000e+00, 4.658610916033237e+04, 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