# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f488869e-26ed-45c0-b876-6b704e413f71/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 Mg2PtO4 / Imma (74) / materials id 33940](https://mdr.nims.go.jp/datasets/7c121690-bbdc-4c9a-90b2-085ba204e47d) ## Fulltext elements: [Mg, O, Pt]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: [24.31, 16.0, 195.1]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: [1.005347706436389e+02, 4.274078053119943e-01, -6.448930090600807e+01, 2.131983728395758e+00, 1.595805553864178e-01, 1.120541187280321e+02, 1.093937013594620e+05, 5.616962900224974e+03, -1.898387195894078e+06, 3.194755812930864e+01, -8.015461870107612e+03, 3.781487436298687e+02, -3.531167138230636e+01, 5.126716794198009e+04, -8.776804760413839e+03, 2.006213623429279e+06, 1.037888178427140e+03, 2.164263758977274e+02, 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