# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b9a96e6f-0026-4d56-8a91-8f71e4c5b9aa/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 Nb2Zn4O9 / P-3c1 (165) / materials id 17808](https://mdr.nims.go.jp/datasets/34624938-870d-42ea-9143-9f48da8f816d) ## Fulltext elements: [O, Zn, Nb]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, 65.39, 92.91]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: [4.142091549472867e+00, 3.096528917410099e-01, 1.844519099927227e-01, 1.372883989629933e+01, 5.231474546961676e+01, 1.686429456310396e+01, -2.055225591825136e+03, 1.646511941026965e+02, 1.258621089066786e+03, 2.096824602746809e+01, -5.994096452187449e+01, 3.348165541922115e+03, 8.960746631764776e+03, 3.132326080053739e+01, -1.331874682384265e+04, 5.237104950572628e+03, 3.971633506438467e+05, 6.338554251990034e+06, 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