# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5ac8989d-3da1-44ee-8e62-3090a5073f76/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 Ag5BiO4 / P2_1/c (14) / materials id 28812](https://mdr.nims.go.jp/datasets/c928124c-a4a6-4c03-aca6-5198c4765252) ## Fulltext elements: [O, Ag, Bi]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, 107.9, 209.0]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: [5.140028410187247e+00, 2.605886800356523e-01, 6.317715067920848e-02, 5.824966115286863e+00, 2.304817012192301e+01, 5.586248113168033e+02, 2.698877270869027e+04, -4.897794669203827e+01, -1.026606806027263e+03, 2.480304322014417e+01, 4.553274808619638e+01, -2.233600245574795e+03, -1.685577418961643e+04, 1.385118280553469e+02, 7.807674035095764e+04, -1.718089380114846e+05, -3.765749825996879e+04, 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