# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c7c7cad3-9728-4fb2-883d-39424bf7a25c/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 / Cmmm (65) / materials id 752910](https://mdr.nims.go.jp/datasets/54ab91e5-c474-4f41-9f98-caeeb11247cb) ## 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: [4.782188740767200e+01, 3.083477482715128e+01, 1.544923328686310e-01, -1.549358066922411e+01, 1.649121384365639e-01, 3.347509043200132e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.058274195413390e+03, 0.000000000000000e+00, 3.669174398907753e+04, 0.000000000000000e+00, 1.822403244695136e+03, 2.863543812143605e+00, -2.642787683029978e+01, -2.863277054281514e+02, 0.000000000000000e+00, -6.664393028384892e+03, 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