# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d60e1ecc-75ab-4326-bdb8-2d72b7971134/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 TiCdO3 / R-3 (148) / materials id 13641](https://mdr.nims.go.jp/datasets/5050211d-802b-48ad-bc7d-78be1f18bdbd) ## Fulltext elements: [O, Ti, 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, 47.88, 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: [1.388147118531674e+00, -1.649368449463679e-01, 3.304793307456553e-01, 1.364186194422381e+02, 1.663510439909500e+01, 2.691730800918575e+01, 1.353656876865299e+03, 2.437458277312462e+02, 3.050421429838435e+02, 1.684233605860310e+01, -9.570073557756577e+02, -1.186990568793332e+03, 1.502860258702156e+03, 1.215266960345530e+02, -2.487306733131507e+03, -1.218750120508351e+04, 2.612152440515284e+05, 5.916792291060853e+06, 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