# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bdcef423-1af0-46f1-99cb-d92a87e01a49/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 LiGa5O8 / Pmna (53) / materials id 531523](https://mdr.nims.go.jp/datasets/d19adbd8-a9a7-4c44-8047-0b75f38cf537) ## Fulltext elements: [Ga, Li, 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: [69.72, 6.941, 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: [3.470916928586706e+01, 4.399585260512930e+00, 3.980739330658085e-01, 0.000000000000000e+00, 5.494359031869239e-02, 3.664224439469299e+00, -2.454199524034662e+05, -2.350300838245772e+05, 9.048935306867580e+02, -1.859400442451057e+04, 1.264275090876644e+03, 0.000000000000000e+00, 3.736759148402140e+02, 4.849732812304073e+00, 2.154716325085954e+01, 1.578085293872672e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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