# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a40c3149-0449-4a70-ab34-e2fda0d3f333/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 Rb2TiO3 / Cmce (64) / materials id 5403](https://mdr.nims.go.jp/datasets/a868cd4b-8002-4db8-be13-d21e429177d7) ## Fulltext elements: [O, Ti, Rb]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, 47.88, 85.47]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: [8.457005963461107e+00, -1.939199366007762e-01, 4.003455693296207e+00, -3.415329805128753e+03, 4.624583367916315e+01, 1.729412337640532e+03, 9.890297493639970e+04, 1.857872130657562e+03, -1.550020833302577e+04, 7.273347860174662e+00, 1.125693303334099e+03, 1.388937855791509e+05, 4.746804915218614e+03, -4.573289058475355e+04, -7.251061535861838e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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