# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c67b9d9d-a5b4-4690-9f53-dd3b5c2b5323/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 Li8GeO6 / P6_3cm (185) / materials id 28548](https://mdr.nims.go.jp/datasets/37004a80-37ef-456b-b713-60cd4839382e) ## Fulltext elements: [Ge, Li, 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: [72.61, 6.941, 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: [0.000000000000000e+00, 1.544981449626861e+00, 4.475794382287287e-02, 5.268570926802549e-01, 4.050183285972854e-02, 6.070078200011624e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.455512770571399e+02, 3.354029135061271e+01, -1.719680526022665e+02, -3.552716890171777e+01, 3.860003533066628e+00, -1.676824963247089e+01, 2.425985181911230e+02, 2.517284743760378e+01, -6.235049554796602e+00, 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