# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0a3d1a76-bbc7-434f-894f-39fc91f0ccdc/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 LiDyS2 / R-3m (166) / materials id 15789](https://mdr.nims.go.jp/datasets/5113abaf-407c-42bb-8a5c-268bb87bec78) ## Fulltext elements: [Li, S, Dy]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: [6.941, 32.07, 162.5]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: [7.159447767594164e+00, 8.265131602186945e-03, 8.435516216701302e+01, 2.849270972236569e+02, 1.967061193759080e-01, 2.428101051384593e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.671086477552925e+01, 3.212006145375463e+05, -4.471761507942488e+04, 7.321856017351221e+03, 0.000000000000000e+00, -1.983220362355219e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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