# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c2463be-8ccf-4ee9-9046-b610a5c10236/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 Tb2SeO2 / P-3m1 (164) / materials id 755340](https://mdr.nims.go.jp/datasets/df0fd1e7-931f-47e8-ae7d-1e0e3498fb39) ## Fulltext elements: [Tb, Se, O]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: [158.9, 78.96, 16.0]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: [1.752149080784488e+02, 1.491169124651864e+00, 6.474025315992545e-02, -5.116422496189500e+02, 9.471284804024503e+00, 1.098270469013146e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.575230161592861e+04, 4.272625021918623e+03, 5.094713579142586e+01, 0.000000000000000e+00, -4.093310366765064e+04, 3.672956393042320e+01, 6.540330108470233e+03, 1.510678569901004e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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