# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bcd8978e-15b4-48cb-bf9b-0806fc463af8/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 Na3BiO4 / P2/c (13) / materials id 27345](https://mdr.nims.go.jp/datasets/e6b71a24-d610-432f-984b-e08efc4a1ab3) ## Fulltext elements: [O, Na, Bi]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, 209.0]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: [4.100090465198889e+00, 5.051804223793611e-01, 3.291258975760442e-01, 2.769672427740652e+01, 4.317798598057531e+01, 2.247082864998856e+02, 1.456593952176517e+05, 8.390513070599361e+01, -1.418177289515022e+03, 3.559315371223251e+00, -8.727061125379458e+01, 1.180962918151373e+04, 2.325144729717252e+04, 3.349755139786154e+01, 1.376385735557592e+04, 5.466905978712427e+03, -7.993531435349795e+04, -4.937718904569939e+06, 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