# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2752c095-2dc4-472c-a9ca-c4372b8f9f5a/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 Na6S2O9 / Fm-3m (225) / materials id 16180](https://mdr.nims.go.jp/datasets/6853148d-7abd-4c3e-95c5-c9ec12ad4cdf) ## Fulltext elements: [O, Na, S]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, 32.07]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: [2.183726401727569e-01, 1.662774561294590e-01, 1.449797037586137e-02, 4.338181729104469e+00, 3.326486837887847e+01, 0.000000000000000e+00, 7.597151328187292e+01, -5.120789221220473e+01, 7.099617444510648e+00, 5.648830360025879e+01, -5.234188436613283e-01, -1.546605383565422e+02, 1.962666442840516e+04, 3.192782935889109e-01, -3.880711169954522e+01, 0.000000000000000e+00, 1.366198830336750e+05, 0.000000000000000e+00, 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