# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f8cbf426-13b9-46d2-86af-2561131e2495/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 KErO2 / R-3m (166) / materials id 7959](https://mdr.nims.go.jp/datasets/b6cce71b-7c34-457f-9f56-75bdf59a578d) ## Fulltext elements: [O, K, Er]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: [16.0, 39.1, 167.3]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: [1.502577210567223e+00, 2.177058677889002e-01, 4.810117663099325e-02, 1.104749230389385e+01, 2.858086290850600e+02, 8.268615747136350e+01, 5.485852438084088e+03, 1.032195419106526e+04, 2.851051902279558e+02, 6.353193196047594e+02, -1.946055551684013e+02, 3.826397816715249e+03, 2.388821397063611e+05, 1.129483493555718e+01, 4.763630283430621e+03, 2.709634098619708e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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