# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/54eb62a9-db04-4af8-ad3d-5a115902ee5a/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 Rb2Se3 / Cmc2_1 (36) / materials id 7447](https://mdr.nims.go.jp/datasets/95627460-cfbe-4fea-b143-b9930101fd3d) ## Fulltext elements: [Se, Rb]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: [78.96, 85.47]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-3.123567702313755e+00, 6.348718583656125e+02, 7.682521599222130e+03, -3.908944477662290e+03, -1.987692746323941e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.299522459790709e+03, 2.274101698044482e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.834101011552458e+03, 8.633972484127312e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.420245476620144e+02, 1.630411428075512e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.096857408450985e+03, -7.931781563823335e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.750593618152283e+02, 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