# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d694c492-1405-4e69-8f6c-b0abec7de2ed/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 Zn(GaO2)2 / Fd-3m (227) / materials id 5794](https://mdr.nims.go.jp/datasets/4e1e4fa4-a40a-4b97-b222-c426b072ee94) ## Fulltext elements: [O, Zn, Ga]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, 69.72]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: [2.783637234904353e-01, 3.087216996720277e-02, 9.498883714694404e-03, -3.051150948357506e+01, 2.899787296605114e+01, 6.685009643773198e+00, 2.332535982935398e+02, -3.506204244139317e+01, 7.494893501761314e+00, 2.433894129112538e+00, -3.823383153852068e+00, 2.465089657142755e+03, 1.302309591979518e+03, 5.897300835359409e-01, -8.683800000532468e+02, 2.479983249578740e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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