# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/52c70a13-2d46-4a70-b919-1230d4da3e62/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 AlAuO2 / P6_3/mmc (194) / materials id 16613](https://mdr.nims.go.jp/datasets/e13dbedc-31a3-4688-bbf4-325089ea28b1) ## Fulltext elements: [O, Al, Au]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, 26.98, 197.0]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: [3.531809485967399e-01, 7.904215085513627e-03, 9.232749422483426e-02, 8.373660487763457e+00, 3.775102929591211e+01, 1.380910039313403e-01, 1.042742740841200e+02, 1.312371087374188e+01, 5.083613785670356e+02, 7.582872944265433e-01, -7.747689938170011e+00, -6.063713626927965e+01, 6.171308059893277e+03, 4.745079360849314e+01, -1.585396968140539e+04, -4.707190306317220e+02, 2.380180884222535e+04, 0.000000000000000e+00, 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