# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5e4c512c-5037-43ae-8908-0375dcb16c43/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 LiSi2N3 / Cmc2_1 (36) / materials id 5853](https://mdr.nims.go.jp/datasets/14323940-3571-4606-abbc-78182ef5d2ab) ## Fulltext elements: [Li, N, Si]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: [6.941, 14.01, 28.09]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: [5.523059500903075e-01, 1.846774583496499e-02, -1.372720958504071e+00, 7.839977482176573e+00, -3.157707178436144e-01, 1.123092168933265e+01, -4.092512121330526e+04, -7.692946264094978e+02, -8.025070235063567e+03, -1.785000905875971e+01, -3.350261092671363e+03, -1.124101350702973e+04, 1.057118244935908e+01, -4.836716660761984e+03, 5.877366622706920e+02, -3.967263205881277e+05, -1.574553820392753e+04, 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