# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0f07543a-589f-4ebc-813e-e204eb02d978/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 Tl2SnO3 / Pnma (62) / materials id 540586](https://mdr.nims.go.jp/datasets/eb51c425-960d-4f53-a91d-bb5a886ef9cb) ## Fulltext elements: [Tl, Sn, O]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: [204.4, 118.7, 16.0]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: [-3.623902133844709e+02, 1.358275124277786e+03, 6.830887297087008e-01, 9.707218573556973e+01, 5.261412403788525e-02, 8.930202659768447e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.337876100303650e+05, 0.000000000000000e+00, -7.453546401232063e+05, 0.000000000000000e+00, -8.351839118224777e+04, -1.373500687780399e+03, -2.938962093030462e+01, 7.418548026403537e+04, -1.209207593086120e+07, 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