# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c4a1f598-eca3-431a-9aca-f40dd442d64e/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 Rb3LuO3 / P2_1/c (14) / materials id 772821](https://mdr.nims.go.jp/datasets/2ff9f31f-1fcd-40f1-8eee-21096cdfd556) ## Fulltext elements: [Rb, Lu, 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: [85.47, 175.0, 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: [1.202339016758435e+02, 2.411923517232818e+02, -3.269762928165099e-01, 1.160564247295250e+01, 2.129843449315829e-01, 1.340946237530412e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.637744798481080e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.800260501491351e+04, -2.241962892404898e+04, -1.146598899703223e+03, -7.047840397903652e+04, -4.995694168871071e+05, 4.527954946070902e+02, 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