# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b57dccba-00d9-481a-ab11-6fbf4eb4925b/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 NaSb3O8 / P2_1/c (14) / materials id 753000](https://mdr.nims.go.jp/datasets/2447f23d-cc83-434f-bac8-0b7db8ef7992) ## Fulltext elements: [Na, Sb, 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, 121.8, 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: [0.000000000000000e+00, -5.410471261503670e+01, -2.962837161189529e-02, 1.678807839305687e+02, 4.223121445105956e-01, 6.182453248951949e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.590874777100034e+06, -2.567117316792860e+04, 0.000000000000000e+00, 6.463576234011352e+03, 8.664043880899399e+01, 8.501959706074564e+01, -6.158039809674245e+03, -1.809592378887413e+07, 1.805774971644988e+04, 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