# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/28d37908-f619-476d-b6bd-f1be4d88885d/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 Al2CdO4 / Fd-3m (227) / materials id 36866](https://mdr.nims.go.jp/datasets/4998f8ff-480c-44e0-8640-e28ba25230dc) ## Fulltext elements: [Al, Cd, 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: [26.98, 112.4, 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: [7.868715290211358e+00, 2.307266484802951e+01, 5.998885657237501e-03, 2.449449152629841e+02, 7.583272859340719e-02, 1.177283406480431e-01, -2.773523432586036e+03, 0.000000000000000e+00, -1.829817517619472e+01, 0.000000000000000e+00, 5.461347087776383e+02, 0.000000000000000e+00, 3.811671076040842e+03, 3.754980033483682e-01, -3.688656162739366e+00, 4.173207794734918e+00, 0.000000000000000e+00, 3.050498509139549e+03, 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