# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e7908cd6-13d2-4694-a636-96f490b8cce3/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 Bi3BrO4 / P4/mmm (123) / materials id 866311](https://mdr.nims.go.jp/datasets/14cc9a89-ed11-4203-89d7-5457d273ae6e) ## Fulltext elements: [Bi, 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: [209.0, 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: [2.460251375378455e+03, 5.109625348425564e+01, 4.874943086939121e-01, -3.977776120037204e+03, 2.246946819493469e+02, 1.761460685643488e+01, 0.000000000000000e+00, 0.000000000000000e+00, 3.386186535502141e+05, 0.000000000000000e+00, 1.362377389080922e+05, 0.000000000000000e+00, 0.000000000000000e+00, 5.533690910593945e+01, 2.548978063064840e+05, -6.821041126358099e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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