# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8a0b2b13-d9b4-4e49-a96b-1eaf9aa149f7/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 KBrO4 / Pnma (62) / materials id 27428](https://mdr.nims.go.jp/datasets/709a416d-238e-45f9-8ba6-fc158392cc9b) ## 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: [1.633976103696237e+00, 4.570655204666557e+00, -2.082330176290873e-03, 0.000000000000000e+00, -1.044075125407679e+03, -1.220392765313872e+04, 2.343814715896658e+02, -5.170223896676447e+02, 1.046719348465445e+02, -1.873398549438873e+04, -1.520336319035669e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.537988931924226e+00, -7.906996909407717e+03, -2.494255543739034e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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