# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1d45df26-6368-46eb-b23f-81d22128a071/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 KBrO3 / R3m (160) / materials id 22958](https://mdr.nims.go.jp/datasets/7dceb82e-6ff3-4608-9dc7-daf690a085fc) ## Fulltext elements: [O, K, 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: [16.0, 39.1, 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: 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: [3.242508378259726e+00, 1.217939882186690e+00, 3.833514380180089e-02, 5.002338016712642e+04, 5.880017026379733e+02, -1.193767724485379e+04, 3.691565805925892e+03, 3.742035101733899e+03, 6.173931094689194e+01, -3.504248190381533e+03, -2.756356944339817e+02, 0.000000000000000e+00, 0.000000000000000e+00, 3.569731098744616e+00, -2.969502929770082e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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