# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f048ac59-9c90-46ae-83cf-92bcc547c76f/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 FeSbS / P2_1/c (14) / materials id 27904](https://mdr.nims.go.jp/datasets/6d38813b-ba01-49aa-b766-cc6d4cb96c8d) ## Fulltext elements: [S, Fe, Sb]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, 55.85, 121.8]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: [2.647234993005451e+02, 6.525917670864177e-03, 4.192324290159844e+00, -2.668047116855986e+00, -1.865700298091069e-01, 2.112910514463636e+02, -1.342128490953153e+07, 3.718294615011662e+04, -6.390993785338822e+05, -7.169914511676852e+01, 1.269134771401817e+03, -1.503862759146175e+03, 4.176695346802596e+03, 2.425879302080342e+04, -1.363116755285045e+04, 2.898200207674935e+05, -3.471795103672400e+03, 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