# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/921d92fc-2d0d-4888-bf40-7306673f03e0/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 HIO3 / Pbca (61) / materials id 556216](https://mdr.nims.go.jp/datasets/fcc316ae-6438-452b-b0b8-90e179833c3e) ## Fulltext elements: [H, I, 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: [1.008, 126.9, 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: [1.033404750248958e+00, 7.674862110787811e-01, -1.085326783013691e+00, 5.838655989273590e+03, -1.884878650445981e-01, 1.046016276609546e+01, -1.659648799841714e+03, 2.162021714471388e+04, -3.447247751803929e+01, 8.071941690226515e+03, -2.095042240241470e+02, 0.000000000000000e+00, 6.041037505340903e+02, -6.449208882828806e+00, -8.871666590116345e+00, -6.403429628351597e+02, 0.000000000000000e+00, -1.573212114223099e+06, 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