# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/817fd5a9-cd32-48ff-9d19-9252831dfd60/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 SbBrO / P2_1/c (14) / materials id 768372](https://mdr.nims.go.jp/datasets/9a2db717-da09-4340-93cd-718059c60592) ## Fulltext elements: [Sb, Br, O]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: [121.8, 79.9, 16.0]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: [-1.157131505000729e+02, 3.434602361114939e+00, 1.091561997859643e-01, 1.721986219472903e+02, -9.004043466456710e+01, -2.881889387760896e+00, 0.000000000000000e+00, 1.380820022153479e+07, 8.975692517596460e+04, -1.524777553136417e+04, -1.952779602079510e+03, -1.218200876696545e+07, 4.876009900076924e+06, 5.450554521956779e+00, 1.543729076122909e+04, 1.191863868194123e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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