# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/16ad2d70-b621-4049-8d6d-6ff0f1a9675e/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 K2CdO2 / Pbcn (60) / materials id 27742](https://mdr.nims.go.jp/datasets/7becd9b7-34c0-4af6-9183-41e6990de171) ## Fulltext elements: [O, K, Cd]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, 112.4]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: [1.434980530891163e+01, 4.064236879368582e-01, 5.396966555402306e-02, 1.203037647552536e+02, 2.658001101791011e+01, -1.231309404435476e+01, 1.266443304439199e+06, 1.244731072167169e+05, 2.615551252120771e+03, -1.747268532592484e+03, -3.159466460046544e+03, 9.635424668340140e+04, 1.426042349814127e+05, 5.304680105107496e+01, 2.278640993963684e+03, 2.352002332016094e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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