# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/064ed6c5-78cf-4953-8e18-7fbf204ecc2b/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 Na2BiO3 / C2/c (15) / materials id 761686](https://mdr.nims.go.jp/datasets/71373df3-1b9a-4a1d-8546-611df6f87388) ## Fulltext elements: [Na, Bi, 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, 209.0, 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: [6.585451128799319e+01, 2.890830634659211e+02, 9.809276387680488e-02, 1.245987875425685e+03, -1.578234224252839e-01, 2.586015861121286e+01, 1.479046797394217e+07, 0.000000000000000e+00, -9.890849283664569e+04, 0.000000000000000e+00, 5.106512878626131e+05, 0.000000000000000e+00, 9.516766359810243e+03, 2.459753753183153e+01, 1.338964501515088e+03, -4.677547506367727e+03, 0.000000000000000e+00, -5.018843585367721e+05, 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