# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/62f15ef5-577a-46c4-aa4b-94a471baed00/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 BiBr / C2/m (12) / materials id 568758](https://mdr.nims.go.jp/datasets/4e3b5f31-2cd9-49cb-9bed-9a63be5f460a) ## Fulltext elements: [Bi, Br]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: [209.0, 79.9]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: [5.556710781170781e+01, 1.708341255338841e+02, -2.278442688555895e+04, 4.501178645287430e+05, -2.804959327707584e+06, -6.977834184370153e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.422728089957482e+06, -3.218610691012740e+07, 4.881603364372606e+05, 0.000000000000000e+00, 0.000000000000000e+00, -1.386480528139005e+07, 1.676269731118423e+04, -4.650751995164357e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.786044241027248e+05, 2.196291970630586e+06, -6.898932754378830e+05, 0.000000000000000e+00, 0.000000000000000e+00, -5.540336213991937e+05, -5.275621499040307e+06, 4.617347246247301e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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