# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a3288374-3e88-4bc2-bfea-8e0619079d0c/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 HgBr / I4/mmm (139) / materials id 23177](https://mdr.nims.go.jp/datasets/d888c1a3-9ef0-4bee-aa01-c1c6a2cc19f3) ## Fulltext elements: [Br, Hg]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: [79.9, 200.6]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: [-6.954405933842679e+02, 2.004361522376518e+00, 3.339738775451095e+00, 0.000000000000000e+00, -3.149151859138997e+06, 1.682938172829676e+03, 1.953344067386407e+04, 2.724952837185393e+03, 0.000000000000000e+00, -5.635910505153719e+06, 8.031534635078999e+02, -1.299757950389696e+04, 1.580739303327828e+03, 0.000000000000000e+00, 2.982985005699683e+06, 8.813172487673610e+02, 9.170237316022813e+03, 1.223178098790941e+03, 0.000000000000000e+00, -2.023584568401218e+05, 6.089249980369946e+02, -6.449679842585429e+03, 1.028205212661521e+03, 0.000000000000000e+00, -2.357253639493471e+06, -6.490817888403191e+02, -7.777452121884261e+03, -9.080291233183124e+02, 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