# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a74d4721-bd70-44eb-9a65-92ea19a78d25/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 Tb3In5S12 / P2_1/m (11) / materials id 20606](https://mdr.nims.go.jp/datasets/4c5f8720-f390-4c09-8f8e-7c945096e617) ## Fulltext elements: [S, In, Tb]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: [32.07, 114.8, 158.9]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: [4.033382031748254e+00, 1.295730154229910e+00, 6.327000512393249e+00, -3.886033618610701e+03, -9.932596812262815e+02, -3.077739329792414e+03, -2.405703864825021e+06, 7.288497707471791e+04, -2.021592128882364e+05, -1.729648592315458e+03, -3.219865949707332e+04, -9.978521289139889e+05, 0.000000000000000e+00, 1.276007484203510e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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