# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/985f2e5c-c73b-47f5-ba37-53fd7ba67645/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 Sm3Si6N11 / P4bm (100) / materials id 16995](https://mdr.nims.go.jp/datasets/694c8d38-3685-4aa8-afc3-c2501c6337de) ## Fulltext elements: [N, Si, Sm]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: [14.01, 28.09, 150.4]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: [8.230332660311918e+00, -6.108354935523651e-01, -2.265016671756904e-01, 1.806429727479835e+01, 3.000388240598823e+01, 3.475360747371222e+03, -1.429879657677887e+04, 1.288722208542752e+03, 2.746606040488420e+04, 7.956962451409851e+00, -2.361231239037807e+02, 1.576498524547449e+03, -1.815360612234746e+03, -1.514536186775354e+02, 7.230599784949737e+03, 7.806515329664144e+06, -2.900417949335203e+05, 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