# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8e4656fa-ea08-47aa-a285-cde3a655656d/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 Rb2MoS4 / Pnma (62) / materials id 18612](https://mdr.nims.go.jp/datasets/0567875b-5dbe-40d8-b883-599f539d193f) ## Fulltext elements: [S, Rb, Mo]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: [32.07, 85.47, 95.94]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: [2.957799940711936e+02, 8.832863507745371e+01, -2.025370541681209e-01, 5.868410584078875e+05, 6.998864603876403e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.418683552063393e+05, -1.058484699194989e+07, -3.622010283999246e+05, 0.000000000000000e+00, 0.000000000000000e+00, 3.439103900598453e+01, -1.648314108996757e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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