# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3c9fd82e-30ed-4298-9b9e-0811bd6ed2c8/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 Zn2Ge3O8 / P4_332 (212) / materials id 27843](https://mdr.nims.go.jp/datasets/5612bc13-3dbc-4de8-bd04-1f55f4067e37) ## Fulltext elements: [O, Zn, Ge]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, 72.61]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: [7.463757366208188e-01, 8.070099827849164e-02, 3.499439577986150e-02, 1.728053271604395e+02, 2.823208833276003e+00, 4.812070254594163e+00, 2.607509162518704e+02, -6.017783836434175e+01, -3.202193249702066e+00, 6.839434818292446e+00, -1.974894405686548e+01, 1.785192362654451e+04, 2.842065233067259e+03, 2.185735197009879e+00, 8.786879539011248e+02, -3.753246013694897e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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