# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/36d5a264-8762-4941-8b5d-9dead3917a0d/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 Tb5AgS8 / I-4 (82) / materials id 33449](https://mdr.nims.go.jp/datasets/af950e14-c881-4974-bf77-480b1850981f) ## Fulltext elements: [Ag, S, 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: [107.9, 32.07, 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: [0.000000000000000e+00, 1.849062232920668e+00, 6.198544512718840e+03, 4.840961819422717e+01, 1.295520210626334e+01, 5.363644081413118e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.136844060201096e+04, 0.000000000000000e+00, 2.967299781528245e+06, -1.507515400997257e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.472903962123754e+06, -4.774047445710241e+05, 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