# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5e65aa65-cfc2-47df-a2ae-fb4c759669c7/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 YbTiO3 / Pnma (62) / materials id 754225](https://mdr.nims.go.jp/datasets/8d15a424-0911-4ae1-a2b2-fff40f05d378) ## Fulltext elements: [Yb, Ti, 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: [173.0, 47.88, 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: [-2.541203744954290e+02, -1.644569212696743e+00, 3.568870366252768e-01, 2.428171672269872e+03, 5.190067023100525e-04, 3.436971683849718e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.726935305603439e+05, -3.152954191199505e+03, 8.216500429368318e+03, 0.000000000000000e+00, -1.294061101341665e+03, 4.749076314623652e+01, -9.517679316129259e+01, 4.940259797335202e+02, 0.000000000000000e+00, 9.580772731264128e+05, 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