# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fb9dc9d8-3f9d-4c88-9be3-c15bd2800f9c/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 Li5TaO5 / C2/c (15) / materials id 770469](https://mdr.nims.go.jp/datasets/4d15e6b0-94a7-458d-afc9-d7d6c97df5c3) ## Fulltext elements: [Li, Ta, 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: [6.941, 180.9, 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: [8.114710944396476e-01, 1.043091316093614e+01, 8.139236807792068e-02, 0.000000000000000e+00, 2.072877769940530e-01, 3.404614602076502e+00, 3.489724627322293e+02, -3.192725137823899e+04, -6.159479421304101e+01, -5.843374989491468e+04, -7.918694056628999e+02, 0.000000000000000e+00, 7.243289786003544e+02, 2.023767632147735e+00, -7.384174513679378e+01, -1.953069882508526e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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