# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fccc5953-44af-4d63-8195-9698f10c56f2/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 BaHBr / P4/nmm (129) / materials id 24424](https://mdr.nims.go.jp/datasets/a947117f-b926-4604-902d-09685b4ef6f9) ## Fulltext elements: [H, Br, Ba]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: [1.008, 79.9, 137.3]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: [1.050048509455996e+01, 9.187185161672820e+00, 5.854770527977757e-02, 4.323196892115989e+02, 2.901125738058454e+01, 8.626242300986618e+03, 3.093924205570818e+05, 3.189723665415470e+05, 4.728759586201018e+03, 1.633243194218079e+05, 1.626852985756986e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.816425210930379e+01, 4.838530860017159e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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