# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9433257d-26bb-4669-a5b0-6b7be794b122/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 TaAlO4 / Pbcn (60) / materials id 8898](https://mdr.nims.go.jp/datasets/3b1d94e6-cbe0-4de9-92b1-9b2fd862dbb9) ## Fulltext elements: [O, Al, 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, 26.98, 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: [1.705309070854186e+00, -4.617392707755630e-02, 9.384070916247882e-02, 9.685706992866292e+00, 1.843520181671296e+01, -1.353591424992685e+03, 3.070740503210292e+03, -1.743247951050573e+02, 1.719532921905636e+03, 4.116248457152579e+00, -1.127610339526092e+00, 1.334978162411995e+02, -5.637268490299051e+03, 4.575620730969385e+01, -6.055996901371167e+02, 7.378980047787169e+05, -2.821565639076705e+04, 4.323486328504093e+05, 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