# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dfaae4a5-a04b-4a86-b89f-a96ba80b50a9/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 Na2SiF6 / P321 (150) / materials id 3775](https://mdr.nims.go.jp/datasets/cad0585b-5f3e-4201-951d-8cb37d36de94) ## Fulltext elements: [F, Na, Si]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: [19.0, 22.99, 28.09]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: [2.584219199677177e-01, 1.456147696330335e-01, 3.227432901347952e-03, 3.226868707891589e+02, 5.476567481138835e+00, 0.000000000000000e+00, 4.922554539126265e+01, 6.926088776262961e+01, 8.767316719638901e+00, 3.409335503517999e+01, -3.759864197908644e+01, 7.538513967687028e+04, -4.843905407013404e+02, 4.406669208796979e-01, -1.918325930559254e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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