# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d49b1fb7-ab84-4e79-9d77-002b54c5f987/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 HoBO3 / Cmcm (63) / materials id 752713](https://mdr.nims.go.jp/datasets/58751c0c-5303-4f2d-baa2-e11e8916429e) ## Fulltext elements: [Ho, B, 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: [164.9, 10.81, 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: [1.698745747156087e+03, 1.597734826413970e+01, 1.125952300178407e+00, 1.289838861977088e+00, -1.314469991882088e-01, 2.080411172932137e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.633711494587436e+06, 5.867341778755900e+04, -1.166427933506757e+04, 2.292876163668493e+04, 4.352182086619812e+02, 2.948137092272676e+02, -2.161391840341025e+02, 2.596800826759606e+03, 8.827635345325730e+02, 2.429220366642613e+01, 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