# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/71547143-61d1-45bd-abf5-e747605014e1/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 K2TiO3 / Cmcm (63) / materials id 13133](https://mdr.nims.go.jp/datasets/02aa2d83-7a50-4325-93b4-2112ff0bc104) ## Fulltext elements: [O, K, Ti]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, 47.88]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: [5.247795299571703e+00, 3.991512314352219e+00, -1.649550907692034e-01, 3.956525508180876e+01, 2.051333478851967e+02, -2.722378635469957e+00, -9.472948275259099e+03, -1.797643808299764e+04, 2.874155673648467e+02, -2.176907893512045e+03, -2.103321573017159e+03, 2.113333331776547e+05, 5.511504302337304e+05, 6.906341054788146e+00, 5.536633974428297e+04, 9.781480354407064e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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