# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/29c77117-6ced-4044-97a8-b607ca917739/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 Tm2SeO2 / P-3m1 (164) / materials id 753920](https://mdr.nims.go.jp/datasets/ae69917f-0891-41ef-a824-f8a814c2b1cf) ## Fulltext elements: [Tm, Se, O]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: [168.9, 78.96, 16.0]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: [1.744464825902790e+02, 1.403501950442343e+00, 9.913598442896382e-02, 2.663096314036293e+01, 8.124300993756345e+00, 1.239079118710893e+00, 0.000000000000000e+00, 2.186541128541740e+06, 1.549603517492133e+04, -3.970630112098575e+02, -7.808392129988165e+02, 0.000000000000000e+00, -4.769544759398155e+04, 4.296133160991322e+01, 1.014763778055856e+04, 2.118426490085856e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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