# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ea97a9d6-7289-4c08-ab5b-78fd52c7139a/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 Na2TeO3 / P2_1/c (14) / materials id 541619](https://mdr.nims.go.jp/datasets/7059a97c-25fd-4674-a259-9bc13601f72f) ## Fulltext elements: [Te, Na, 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: [127.6, 22.99, 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: [1.464442319291585e+03, 4.831554087160887e+01, 8.502988240251232e-02, -1.552869540230700e+01, 1.188821302220143e+00, 1.051214342229350e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.775934469299219e+05, 3.809313731078951e+06, -7.756842598844155e+03, 0.000000000000000e+00, -2.974267330980478e+04, 1.709733841988875e+01, -6.912364932010416e+01, -1.158413017254683e+03, 0.000000000000000e+00, 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