# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/78179c44-0875-4869-8dbb-66446f0e51c2/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 KBiO2 / C2/c (15) / materials id 30988](https://mdr.nims.go.jp/datasets/2bb19365-4a6c-40d3-8380-31d94386bf01) ## Fulltext elements: [O, K, Bi]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, 209.0]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: [-1.923520334610315e+00, 3.608847724453223e+00, 3.081643973162719e-01, 1.988877175522435e+02, 2.153544242559751e+03, 3.888787638321007e+02, 1.194954048402103e+05, -2.880920368338465e+04, 1.162766891378696e+04, 1.180909625381509e+04, -3.731835181360420e+03, -7.682245684652936e+06, 8.143951824405262e+06, 2.129505539850346e+01, 9.748071595226268e+05, 1.952738350377943e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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