# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e9b4d368-92e2-4ff4-9cea-4ee69c04e8ab/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 Na3BS3 / C2/c (15) / materials id 29976](https://mdr.nims.go.jp/datasets/02a29f6d-3f1b-40ea-837b-cf69d521ded5) ## Fulltext elements: [B, 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: [10.81, 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: [-1.443779071508711e+05, 1.058894986167675e+00, -6.351176273811086e-02, 4.327333724919336e+02, 7.539355120703864e+00, 1.966079597007711e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.027102830318593e+04, 6.048607526148617e+02, 0.000000000000000e+00, -1.873287419439367e+04, 4.901855573423910e+00, -5.371354019337997e+02, 2.060370582954734e+03, 0.000000000000000e+00, -6.763484857240551e+05, 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