# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2d5b37b3-e4a5-4ec2-89fa-e2d225770587/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 SnGeS3 / P2_1/c (14) / materials id 5045](https://mdr.nims.go.jp/datasets/c521abd5-8f84-46d4-95d7-6cf913af5397) ## Fulltext elements: [S, Ge, Sn]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, 72.61, 118.7]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: [-2.331606897404702e+00, 2.741537036257776e-01, 7.029174801800400e-01, 2.975010423330993e+02, -1.605778703572863e+01, -1.271670259524612e+03, -7.354502936701401e+04, 1.102698059079514e+05, 1.993854000609451e+05, 6.914140846252890e+01, -1.679495682830853e+03, -1.378731374583407e+04, -4.315604010793865e+04, 7.887431220818392e+03, -3.406782412255530e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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