# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed42fd1b-b3f7-4fc7-99f4-ba6dcc401001/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 ZnO / F-43m (216) / materials id 1986](https://mdr.nims.go.jp/datasets/44c57ae3-f305-45e9-8fc0-dae7c5e91708) ## Fulltext elements: [Zn, 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: [65.39, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [9.418768287351728e+00, 1.909625508321616e-01, 6.667559921248286e+00, 6.252080558586248e+04, 4.091572851162496e+02, 6.627986133564071e+00, -3.175932777118697e+02, 1.617502290411455e+04, 1.234003939525570e+04, -1.833490230682534e+03, 2.963439715787694e+01, -6.168081121414777e+02, -3.118372896258482e+05, 0.000000000000000e+00, -6.156054292884562e+03, 1.059312552476544e+01, -6.057579744896531e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.973023147365607e+03, 3.787488844151082e+00, -6.414017128743760e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.207646514103881e+03, -9.275579278383066e+00, -9.436214092537934e+03, 0.000000000000000e+00, 8.893436429993426e+03, 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