# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca0a0aee-1f70-4ed8-b2e1-f71a3abfa137/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 Na2Si2O5 / P2_1/c (14) / materials id 3193](https://mdr.nims.go.jp/datasets/e0b8fa22-e435-48e3-9fee-8e762976e7d5) ## 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: [9.646499946475037e+00, -1.268913098765420e+00, -9.729001673281666e-01, -1.374139195827599e+02, 3.186394324277341e+01, 8.604937489417610e+01, 4.219319167746683e+03, 1.667960994509577e+02, 2.169276927853824e+03, 4.557683008142262e+02, -2.300120365736392e+00, 8.363711737287519e+04, -1.528588635703933e+04, 7.142787648364268e+00, 6.921226158950957e+02, 3.013517239445508e+03, 5.585018024357969e+06, 1.488286123483983e+07, 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