# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/647b98d1-87e6-4fd8-9013-696b397712a6/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 Na2S / Fm-3m (225) / materials id 648](https://mdr.nims.go.jp/datasets/822050a2-2e6a-4f97-9b17-18d1fbf8e0b2) ## Fulltext elements: [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: [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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [6.990211602551752e+00, 1.235295316894220e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.078536958607690e+04, 5.033792481607131e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.061961282637857e+05, 4.733279892945777e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.410461421464259e+03, 0.000000000000000e+00, 0.000000000000000e+00, -4.247406284837211e+05, 7.643625279181075e+02, -6.710550134482947e+02, 0.000000000000000e+00, 0.000000000000000e+00, -8.237978938668319e+04, 7.928687087576058e+03, -3.739217328269724e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.500386378802671e+05, 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