# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8f68430e-9f34-4e66-bb4b-2965a9392685/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 SbIrS / Pca2_1 (29) / materials id 9270](https://mdr.nims.go.jp/datasets/d1b82225-81c1-43d5-9572-1c22fdb4c08f) ## Fulltext elements: [S, Sb, Ir]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, 121.8, 192.2]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: [4.357251626418102e+02, 1.801264336540270e+00, -7.144223803981417e-01, 3.596751219396955e+01, 3.848782286643438e+00, -7.754960724825096e+04, 0.000000000000000e+00, -2.476359165149571e+05, 2.283225641028137e+05, 3.285253098617643e+03, 4.670019017244527e+02, -1.118291102970281e+06, -4.739128658930756e+03, -6.915090464265672e+02, -1.102966264093678e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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