# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2701615c-5691-41e5-911b-f7e4d4ac4b9a/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 Na2TiF6 / P-3m1 (164) / materials id 18075](https://mdr.nims.go.jp/datasets/2b8e8cfd-ae8e-43df-8b62-311096aac78b) ## Fulltext elements: [F, Na, Ti]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, 47.88]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: [1.789231993932103e+00, -2.150448460232576e-02, 1.390418602807362e-02, 1.097949040118169e-01, 1.288903248174751e+00, 0.000000000000000e+00, 7.530245126971635e+02, 4.579550558090747e+02, 7.185170115176200e+01, 1.703362417934368e+01, -3.866146837620499e+01, 1.477542998502785e+03, 1.756077542802996e+04, 3.293362189695218e+00, -1.647124382697589e+03, 0.000000000000000e+00, -3.262310494668388e+05, 0.000000000000000e+00, 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