# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/59ed326a-0ae8-4aad-b0c8-c7a0433fe8cb/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 Ti(SiO3)2 / C2/c (15) / materials id 25301](https://mdr.nims.go.jp/datasets/5756e30a-b36b-480d-8b7f-4dac9ec815a5) ## Fulltext elements: [O, Si, 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, 28.09, 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: [1.714953334799325e+01, -1.006260274951740e+00, 1.430469207583148e-01, 1.037234070586353e+02, -6.597542017116596e+01, -5.959031799113546e+02, -1.462026219118943e+04, 1.568301691168191e+03, 6.642885075202367e+03, 5.569203161368593e+00, -5.934224105165899e+00, 1.197537818407894e+04, -4.813748731973786e+04, 4.654999085504070e+01, -3.580831454519450e+04, 2.552051890273641e+03, 7.261504262379208e+06, 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