# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/16898b88-6750-42ec-bec0-b5f2d1be74a9/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 Er5C2Br9 / P2_1/c (14) / materials id 29401](https://mdr.nims.go.jp/datasets/c289dd6d-2468-4042-9a92-577b00aae373) ## Fulltext elements: [C, Br, Er]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: [12.01, 79.9, 167.3]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: [6.884559555441550e-02, -1.215214163124637e+03, -1.607891109104794e-03, -2.478233722602938e+03, 7.855648520356150e+00, 2.200131489047706e+02, 5.470015528336006e+00, 7.000296957323699e+04, 6.478755826683386e+01, 0.000000000000000e+00, -8.819123580974904e+05, 0.000000000000000e+00, -1.983722972126574e+07, 4.511441929009073e+02, 3.749997724631098e+03, -1.124943415334999e+05, 0.000000000000000e+00, 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