# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3fb3ec9d-a2fc-4e38-a1c6-f8e15f77a3ca/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 Tb2Se2O7 / P4_2/ncm (138) / materials id 30313](https://mdr.nims.go.jp/datasets/931cabda-dfa9-403c-b769-315c311af3d8) ## Fulltext elements: [O, Se, 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: [16.0, 78.96, 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: [1.519058881531355e+01, -4.272738951461238e-01, 5.650576321898141e+00, 2.624281135376479e+03, 2.881610355095797e+03, 2.994954391868649e+03, 8.863828645490408e+03, 3.148989602945324e+03, 2.672176388979991e+04, 1.589430741881709e+01, -2.963383610142548e+02, -7.168981625284290e+03, -7.823787502515641e+04, 1.291220781280104e+02, 3.090851973190871e+06, 1.605053123080754e+06, 0.000000000000000e+00, 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