# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c783f4e2-bc43-4c68-8c5b-c5416b582cf8/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 Mg(GaO2)2 / Fd-3m (227) / materials id 4590](https://mdr.nims.go.jp/datasets/6c1522d1-7ff3-42b7-b6eb-c237075a7475) ## Fulltext elements: [O, Mg, 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, 24.31, 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: [2.545474727215138e-01, 2.903032469946186e-02, 8.141335580919630e-03, 1.443677090177111e+02, -1.146446247538462e+01, 5.867655064506253e+00, 2.253072920936655e+02, 1.431379768488167e+02, 6.137256337661966e+00, 2.040129505259588e+00, -3.626544680797986e+00, 9.984314775403848e+02, 1.571193414798697e+03, 5.547493231044928e-01, 2.228963114460855e+02, 1.012941612503336e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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