# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3ad8dbf8-cc89-4fa0-91db-184bfe4d94e2/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 Sr4Bi6Se13 / P2_1/m (11) / materials id 28397](https://mdr.nims.go.jp/datasets/b913dd11-e01b-4346-9302-1ad0d1d8a883) ## Fulltext elements: [Se, Sr, Bi]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: [78.96, 87.62, 209.0]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: [1.348142724786684e+01, 7.788806187675101e+00, 9.493235860071080e+00, 1.474736125296227e+05, 1.030000347698965e+05, 1.116394729043093e+05, -1.714013681491646e+06, 1.419218684478087e+07, -7.574501037379543e+05, -1.391476722869948e+05, -8.911269525627430e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.157131416347182e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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