# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b47eb2f9-3d23-4fe3-9a7c-ccc1bd207fff/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 Rb5Au3O2 / Pbam (55) / materials id 29920](https://mdr.nims.go.jp/datasets/6642a046-6a38-46c6-a5be-aaf017a29c57) ## Fulltext elements: [O, Rb, 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, 85.47, 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: [1.688341492681751e+03, 1.835082209879821e+00, 1.147640218459500e-01, 3.328231710068085e+03, 4.475996344470020e+01, -7.485547219908689e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.358425197856295e+06, 1.161237571849205e+04, -3.408164028339819e+03, 0.000000000000000e+00, -1.640434912502751e+06, 1.440312205951722e+01, -4.762960130913148e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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