# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8cf9f69b-7611-4c74-942e-7c2bc25e181c/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 Na2PtO2 / Immm (71) / materials id 22313](https://mdr.nims.go.jp/datasets/5eca722f-aee7-4b4f-87e4-37d49698ec4c) ## Fulltext elements: [O, Na, 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, 22.99, 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: [5.848621159375165e-01, 1.048545176358127e-01, 7.717956305754696e-02, 5.788373296507602e+00, 9.927813566861685e+00, -4.126658476834272e+01, 1.232352824896847e+03, 4.929125236377698e+02, -6.535327334968963e+01, 2.591930301998253e+01, -6.315526509006794e+01, 5.694933136353377e+02, -2.524631483198184e+03, 8.024471484569512e+00, -4.382884814525581e+00, 1.541046963736726e+04, 6.268273735143834e+04, 4.966181063503564e+04, 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