# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/eefbc028-d551-414b-95fb-a8733d563160/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 Na5TaO5 / C2/c (15) / materials id 8957](https://mdr.nims.go.jp/datasets/5bb95f9f-3a30-4319-9f9a-e1415679dfd8) ## Fulltext elements: [O, Na, Ta]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, 180.9]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: [5.856361437505467e+00, -4.202556276451670e-02, 1.869787141266761e-01, 9.705014582109733e+00, 5.810673044337976e+01, 0.000000000000000e+00, 8.106136572053783e+03, 2.415122523487729e+03, 6.272051328912190e+02, 1.769067017100465e+02, -1.345277902079127e+02, -6.854768056424919e+03, -8.478025710854870e+04, 2.376310808013602e+01, 6.985324666472734e+03, 0.000000000000000e+00, 4.309529661263455e+03, 7.633646991045780e+05, 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