# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/765a582d-5971-4c75-9f63-f05a28585c07/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 HBr / Pnma (62) / materials id 32684](https://mdr.nims.go.jp/datasets/a2c7eee4-d7d0-4ed3-b095-a65846e8e9fc) ## Fulltext elements: [Br, H]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, 1.008]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: [1.088262596623917e+03, -1.113964038107096e-01, -7.315150660600469e+00, 0.000000000000000e+00, 1.410722245181267e+05, 9.939313086891211e+00, 2.605582763998389e+02, 1.236214860861368e+04, 0.000000000000000e+00, -1.044041860173519e+05, 6.071080326406669e+00, 1.120078147363900e+03, -5.461364605663215e+03, 0.000000000000000e+00, 1.206665162540018e+05, 4.588132980754374e+00, -2.738979237040732e+02, 3.615041915839133e+03, 0.000000000000000e+00, -1.153638849708145e+05, 3.880069110246836e+00, 5.112219432380654e+02, -2.272615119338076e+03, 0.000000000000000e+00, -1.224911054088140e+05, -3.310010051635876e+00, 1.552573265735403e+03, -1.709110846576431e+03, 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