# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/123b7b23-6a4f-4a93-801d-1422e3decc12/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 Pb3(BrO)2 / Pnma (62) / materials id 505284](https://mdr.nims.go.jp/datasets/22aa558a-113a-4666-83bf-ce5f9d1ff509) ## Fulltext elements: [Pb, Br, 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: [207.2, 79.9, 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: [3.131292928951168e+02, 3.270997433529920e+01, 1.246849022938858e-02, 1.467776199163954e+03, 5.780037561020222e+01, 4.592366496626314e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.683627756517203e+05, -2.981687923533452e+05, -1.619095117210421e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.000842593782512e+01, -1.728411440120797e+05, 1.834758400250101e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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