# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a6a580f1-ea85-4ad9-a04f-357e3d344d09/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 BiBrO / P4/nmm (129) / materials id 23072](https://mdr.nims.go.jp/datasets/39c0ee12-c794-41ca-b5b0-97cf78b71f3e) ## Fulltext elements: [O, Br, Bi]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: [16.0, 79.9, 209.0]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: [4.832803833377294e+00, 1.272403509652378e+00, 3.059369473229080e-02, -3.000153838309339e+01, 3.766467932932403e+00, 3.343189074110967e+02, 7.906026719143127e+03, 1.052362488133881e+05, -4.198900562913237e+02, 0.000000000000000e+00, 5.852672143687868e+03, 0.000000000000000e+00, 3.241402340804921e+05, 1.491332399414139e+01, 1.009727110702351e+04, 4.596916818503546e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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