# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/920d5ef0-2599-44ac-9247-902ea9ca84b0/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 CaSeO3 / P2_1/c (14) / materials id 557997](https://mdr.nims.go.jp/datasets/1a900625-a9d6-495c-a542-f5297f79f472) ## Fulltext elements: [Ca, Se, 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: [40.08, 78.96, 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: [6.480904376827702e+02, -5.466439889525900e-01, 1.520297210561190e-01, 1.227216596034448e+03, -1.644178344014172e-02, 1.915316689612961e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.647311185696446e+06, -8.620172589334595e+05, 4.484884718606656e+04, 0.000000000000000e+00, -1.459818531394306e+03, 1.485670114740728e+02, -1.135702619856749e+02, 8.973672459569547e+02, 0.000000000000000e+00, -8.914985749281243e+04, 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