# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/30d9a5b5-2e5c-449e-bbc9-2101b94fd48e/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 Na2SiO3 / Cmc2_1 (36) / materials id 4533](https://mdr.nims.go.jp/datasets/fa8e69cf-bb72-46ab-80aa-f4a64314f549) ## Fulltext elements: [O, Na, Si]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, 28.09]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: [5.400124099805207e+00, 2.726145971930457e-01, -4.410237827718055e-01, 4.620704631351815e+01, 5.038962566028990e+01, 5.867130132688289e+01, 5.184236605586904e+03, -7.683485577646851e+02, 7.147069194799684e+02, 1.777547434505242e+01, -1.056438882784941e+02, 2.213474674160415e+04, -5.385626597505521e+03, 4.338603501062829e+00, 6.844620573989205e+01, -1.152957335690266e+02, -3.007995352070135e+05, 6.886494893879251e+05, 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