# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/74dfdd93-c553-4ae5-a1b9-1a7b4bb972e4/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 Sr4PtO6 / R-3c (167) / materials id 4598](https://mdr.nims.go.jp/datasets/0a22c890-b4ff-468a-8ed9-173d9e01295b) ## Fulltext elements: [O, Sr, Pt]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: [16.0, 87.62, 195.1]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: [2.720517933491513e+00, 2.147104591348712e+00, 7.253158391441272e-02, 1.145072588959151e+03, 1.925620362110490e+01, 0.000000000000000e+00, 8.276501307739154e+03, 4.212441280489297e+03, 3.286309169828867e+02, 6.113035791826741e+01, -3.006888460893238e+02, 7.247931638079452e+04, 1.538893765827083e+04, 6.108317108129819e+00, -7.417629283996068e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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