# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/95957069-e11f-4ceb-87e2-d445946c979b/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 TbNaO2 / I4_1/amd (141) / materials id 6964](https://mdr.nims.go.jp/datasets/a427a0bd-cb44-431e-9372-f17dcd376b0f) ## Fulltext elements: [O, Na, 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, 22.99, 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: [4.997576575957319e+00, 2.474835742425311e-01, 7.549738061463052e-02, 1.316928387917107e+01, 5.220855070727400e+01, 3.197017643099620e+02, 6.971640402678437e+04, 7.774391603419447e+02, 1.815365844586141e+03, 4.655611840591098e+01, -6.337180226089236e+01, 2.422979077978020e+04, -1.677141031458877e+04, 4.696414266027673e+01, -4.019328798651472e+03, 1.072115089244020e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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