# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0b474727-4a8d-42ce-950e-7e9ddd7d00c8/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 Na4Ti5O12 / P-3 (147) / materials id 555678](https://mdr.nims.go.jp/datasets/a1b57b83-b05e-4dae-8ec8-a439253923b9) ## Fulltext elements: [Na, Ti, 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: [22.99, 47.88, 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: [1.646708602122032e+03, 6.272405033701207e+00, 1.188585876470733e-01, 4.129292588725479e+00, -4.605615020555065e-02, 1.911945265712418e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.260120660597249e+06, 2.501727149494250e+04, -5.027534275261311e+03, -5.103883276050587e+05, -1.775725806915739e+03, 1.016584204274278e+02, -1.244280068415126e+02, -8.604501030636043e+02, 7.324046836710519e+04, 1.628428826963282e+01, 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