# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0371f32f-3444-4266-a2ea-99dbfdb1cd5a/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 BiCl3 / Pnma (62) / materials id 22908](https://mdr.nims.go.jp/datasets/b27b8967-4a46-4ce3-8885-31345e4925da) ## Fulltext elements: [Cl, 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: [35.45, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-3.740327964417571e+02, -1.229280521570883e+00, -1.802835815562477e+06, 2.633120491050689e+07, 7.922099592778059e+05, -3.763134954301613e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.023026920457223e+07, 5.027755549624684e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.427026182220374e+06, 8.603802046197027e+05, -4.396750165503265e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.117203261732567e+07, 5.453691838312085e+06, -1.767686822932029e+04, 0.000000000000000e+00, 0.000000000000000e+00, -4.010288318686646e+07, -4.150804393653034e+06, -2.148807941007111e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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