# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/944687ac-98f1-40d3-b067-cc975ce70850/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 KTaO3 / Pm-3m (221) / materials id 3614](https://mdr.nims.go.jp/datasets/653ddb96-77c9-4bde-92c4-48328d095ecb) ## Fulltext elements: [O, K, Ta]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, 180.9]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: [2.394487010549955e+00, 1.341272697057886e+00, 2.042556612504268e-01, 7.444589914633307e+02, 1.645999844228162e+01, -1.323918836880492e+03, 4.364476916053726e+03, 4.690024802832455e+03, -6.129668495270242e+02, 1.184633860741564e+02, -1.629150116746033e+02, 0.000000000000000e+00, -2.964647238248279e+05, 1.570604496887778e+01, 4.507985642626572e+02, 3.864744854131513e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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