# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/253b1ab0-ffe8-442e-8bb2-fda47c53fbcf/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 Ge3(BiO3)4 / I-43d (220) / materials id 23560](https://mdr.nims.go.jp/datasets/2994b613-e2c9-4b3f-b70e-a2a65d055777) ## Fulltext elements: [O, Ge, Bi]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, 72.61, 209.0]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: [1.035373935497456e+02, 8.041499675346825e-02, -3.096709927264735e-02, 0.000000000000000e+00, 4.457494371895342e+03, -2.233104991594586e+03, 6.149528162444919e+04, 3.281583224153175e+02, 6.480513760304922e+03, 3.736657542199108e+00, 5.228909665609173e+00, 0.000000000000000e+00, 6.751601782382801e+04, 1.787047680782604e+02, 1.646630329278371e+05, -4.332773563788843e+05, 0.000000000000000e+00, 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