# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e0cbb4b7-17f1-41c0-b419-5940389721d4/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 Li5AlO4 / Pmmn (59) / materials id 7535](https://mdr.nims.go.jp/datasets/eb7de82c-792c-43d6-9ef4-55a980c45c58) ## Fulltext elements: [Li, O, Al]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: [6.941, 16.0, 26.98]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: [1.622842919647831e+00, 4.217566896363552e-03, 1.172822502885435e+00, 3.637199250533387e+00, 1.620806776172562e-02, 0.000000000000000e+00, 1.949096515537501e+02, -2.590320159762587e+01, 5.292181003170087e+02, 2.594184923181219e+00, -1.317727246865408e+02, 7.133438288777847e+01, -9.529967640276444e+00, 4.126581158365262e+02, -7.902938399305353e+00, 0.000000000000000e+00, 1.032501950776181e+04, 1.300819862237193e+02, 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