# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8465e0e9-d495-4fcb-a721-e4e0ecee7111/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 GaBr2 / Pnna (52) / materials id 28384](https://mdr.nims.go.jp/datasets/eae45f6c-2dd1-488d-95e1-67a6256855de) ## Fulltext elements: [Ga, 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: [69.72, 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: [1.503766818224196e+04, -6.878260910270998e-01, 2.470217052192429e+03, 0.000000000000000e+00, 1.726399274930277e+07, 1.111542413551155e+03, 1.055444443294568e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.682631705362537e+02, 5.695874690915579e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.537684525859339e+03, 1.516812128967818e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.707256864764705e+02, 5.323777423480483e+06, 0.000000000000000e+00, 0.000000000000000e+00, -3.570763949353020e+07, -3.315684257003666e+02, -3.330245623829805e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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