# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c7ec61d8-5c08-4ba4-b5ce-48b07b345852/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 LaHBr2 / P6_3/mmc (194) / materials id 696944](https://mdr.nims.go.jp/datasets/d5a17c02-73ab-44ec-a4cc-cf4e9f1e7985) ## Fulltext elements: [La, H, Br]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: [138.9, 1.008, 79.9]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: [4.601962344338885e+03, 2.287571989916466e-01, 1.317126788242488e+00, 5.157787897149633e+02, 2.666263498022803e-01, 1.081045677894453e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.728687847406193e+01, 3.862044574285964e+02, 0.000000000000000e+00, 3.168844865590575e+02, 1.148655899064795e+04, 2.781269013486954e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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