# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2d251ad4-89a0-4ab8-a5a8-237ddb58ff66/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 Na2PtO3 / C2/c (15) / materials id 557450](https://mdr.nims.go.jp/datasets/3df15978-7e78-48d8-afca-2f0804c6aa1d) ## Fulltext elements: [Na, Pt, 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, 195.1, 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: [1.808648981055035e+01, -1.014284475011073e+01, 3.899873442288267e-01, -1.284133906704247e+02, 4.109659394933540e-02, 6.127045356034736e-01, -7.106490021074096e+04, 7.489754694500339e+05, 2.159551132545073e+03, 1.263278356962817e+06, -2.515435939165683e+03, 1.821247988589392e+06, 5.342323537937514e+01, 8.947185493032947e+01, 2.324398772976924e+01, -2.883461401207341e+02, 0.000000000000000e+00, 9.933068730892366e+03, 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