# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e1639101-c430-4b8e-b4ca-5f9c879390d8/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 Ca2CeO4 / Pbam (55) / materials id 755597](https://mdr.nims.go.jp/datasets/d63a61e0-bf38-400b-be44-d9534e0519c7) ## Fulltext elements: [Ca, Ce, 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, 140.1, 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: [4.743312731406562e+01, 3.747009469305205e+02, 7.761123510569359e-02, 6.864470835144872e+02, 6.928926480837468e-02, 6.880078996269177e+00, 1.528104519062370e+06, 0.000000000000000e+00, -4.422107056122259e+03, 0.000000000000000e+00, 6.919166941438265e+04, 0.000000000000000e+00, 1.181209071011480e+05, 1.236411648312225e+02, -3.061779511905257e+02, 1.689409298349188e+04, 0.000000000000000e+00, 2.477294384488262e+05, 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