# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/17795ff6-1c77-4839-9b3a-31e7292c1864/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 Nb3AgO8 / Ibam (72) / materials id 16837](https://mdr.nims.go.jp/datasets/fcf3924f-6892-46e8-80db-3a6390cbc6b6) ## Fulltext elements: [O, Nb, Ag]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, 92.91, 107.9]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: [-1.462656495950420e-01, 8.248880230700094e-01, 6.779798983895430e-01, 1.852990945979046e+03, -1.437153753095139e+02, 2.134176463759310e+03, -8.170298833518590e+02, 3.068024266623264e+03, 2.093926732262575e+04, 1.269458363703316e+02, -6.689732015062000e+02, 3.737678985100617e+05, -4.622155776728762e+04, 1.487439272086405e+03, 5.686493385758316e+05, -7.360799593392528e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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