# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b8fabc46-990d-4e82-ab5c-5a5ea9807767/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 Na3AlSe3 / P2_1/c (14) / materials id 9682](https://mdr.nims.go.jp/datasets/2f16cf07-a601-4d01-a95c-ef68e4e4db32) ## Fulltext elements: [Na, Al, Se]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, 26.98, 78.96]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: [4.373936813603673e+02, 2.916406426586664e+01, 7.710404713997756e+00, 3.656482955861961e+00, 3.332565705755814e-01, 8.814567080099866e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.797707348773471e+05, 6.388759412362116e+05, -3.113811019567054e+06, 1.530716620522238e+04, 1.032097475800423e+04, -1.333573383205860e+04, 0.000000000000000e+00, -1.552815807659434e+06, 2.354022015712193e+04, 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