# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b079931a-b236-4f32-a784-e759e20c0dc4/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 Al2ZnS4 / Fd-3m (227) / materials id 4842](https://mdr.nims.go.jp/datasets/a5888420-4b50-4812-a24e-e3abbfa704d1) ## Fulltext elements: [Al, S, Zn]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: [26.98, 32.07, 65.39]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: [1.277404155217598e+02, 5.049545906992946e-02, 5.363677299165235e+01, 4.730898820882668e+00, 7.975916144501195e-02, -9.182849005494787e+03, 0.000000000000000e+00, 1.596214062936468e+04, 0.000000000000000e+00, 1.501677141603060e+01, 0.000000000000000e+00, 1.254294869486656e+03, 2.152774766853572e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.398563472639807e+04, 2.857230973644238e+03, 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