# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e10ff82c-0aa0-4960-9a28-78a13a2b9fd2/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 Rb8SnO6 / P6_3cm (185) / materials id 769294](https://mdr.nims.go.jp/datasets/19ece4c9-8717-4f0f-9b97-8f33fb98666f) ## Fulltext elements: [Rb, Sn, 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, 118.7, 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: [2.166612202420039e+02, 3.802824978504295e+01, 6.865166113429005e+00, 0.000000000000000e+00, 7.589268224915934e-02, -8.842806034616626e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.159078246189158e+06, 0.000000000000000e+00, -1.508909175537959e+06, 0.000000000000000e+00, 3.067072121191291e+04, -1.423129308526616e+04, -3.929364568537594e+03, 6.901057333674787e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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