# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2eaca114-5d03-47fc-bc92-276c9a420add/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 Rb3AsSe4 / Pnma (62) / materials id 18305](https://mdr.nims.go.jp/datasets/8a070b88-3dee-4f82-ad67-5a9715efb91b) ## Fulltext elements: [As, 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: [74.92, 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: 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: [0.000000000000000e+00, -9.519609987005514e-01, -1.376914637862980e+04, 8.351979305881643e+01, -9.915743617426516e+01, -3.233576083483527e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.931760022918650e+02, 0.000000000000000e+00, -5.231733124118340e+04, -8.086825691396639e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.616885551960827e+07, 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