# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9e7a256c-6b71-4768-85e6-267b3ed8ffa1/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 Zn2PtO4 / Imma (74) / materials id 35647](https://mdr.nims.go.jp/datasets/339d5d63-50f7-429a-9c7f-ec3168614b66) ## Fulltext elements: [O, Pt, 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: [16.0, 195.1, 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: [3.116875720493292e+00, 1.277119541657211e-01, -5.199546418052781e-03, 7.320324315406786e+01, -2.324078771053305e+02, 2.303626353339911e+00, 4.368591751860530e+03, -3.266083979900151e+01, 3.438474022943975e+02, 6.267662669915961e+00, -6.940946265917817e+01, 1.630713346753646e+04, -7.919752628411478e+03, 1.847459775105440e+01, -7.221944508516959e+03, 1.103714167844621e+04, -3.209804463592903e+06, 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