# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d72a10b2-8022-4121-9853-e9a853f1547f/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 Sr7(H6Br)2 / P-6 (174) / materials id 23828](https://mdr.nims.go.jp/datasets/a8af76bf-f3a6-4a1c-bf77-73d91a0e81f3) ## Fulltext elements: [H, Br, Sr]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: [1.008, 79.9, 87.62]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: [1.313209412100693e+00, 9.895800481857961e+00, 7.409159669253620e-01, 6.698191586995718e+03, 5.800773395069291e+00, 5.161967618723405e+02, -8.692134261797365e+02, -6.559123248827427e+04, 5.195837276799462e+02, -1.987296845133991e+05, -1.358069032408872e+04, 0.000000000000000e+00, 1.754632814243570e+05, 7.876587670026403e+01, -3.160382275142577e+02, -2.194508069603540e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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