# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/577314ae-120f-42a8-a8b5-cc14d7e90f3b/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 Ca3Ta2O8 / C2/c (15) / materials id 769390](https://mdr.nims.go.jp/datasets/e3c2c6df-83ed-4eba-8f9e-f5ebcabfe2b1) ## Fulltext elements: [Ca, Ta, 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: [40.08, 180.9, 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: [8.850601891992319e+01, 1.833967750796838e+02, -2.588292444879606e-02, 5.166336238809416e+02, 2.314876357316179e-01, 6.649588350204235e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.505618205386715e+03, 0.000000000000000e+00, 1.813355347765901e+05, 0.000000000000000e+00, -1.940419102574418e+04, -8.261943535140987e+02, -1.535176203941175e+03, -6.934482303721895e+03, 0.000000000000000e+00, 7.803178413298122e+04, 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