# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4f844e01-5d81-49d1-9e64-ca1e995adfbe/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 Li8CeO6 / R-3 (148) / materials id 8611](https://mdr.nims.go.jp/datasets/39bb15d6-6457-483f-ac1d-ac8acfea3169) ## Fulltext elements: [Li, O, Ce]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, 140.1]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: [1.540946341339136e-01, 2.355530874802259e-02, 1.170044824374550e+00, 5.381472106059699e+00, 2.477758670774990e-02, 0.000000000000000e+00, 1.421788886251305e+01, 6.980071059480406e-01, 1.551159975784921e+02, 7.314886078437565e-01, -1.068720407393364e+01, -3.555581325602750e+01, -6.742945563206023e+00, 1.145851480741047e+03, 2.954667712931900e+01, 0.000000000000000e+00, 1.169369002886495e+04, 2.472022160294519e+02, 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