# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/35c87a4e-3041-48c1-96be-e626ddffb898/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 Li4GeS4 / Pnma (62) / materials id 30249](https://mdr.nims.go.jp/datasets/0bf8ad7b-882f-467b-bcf6-7ab557fdc60f) ## Fulltext elements: [Li, Ge, S]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, 72.61, 32.07]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: [2.012578369478529e+00, 1.119168282144460e+01, 1.497314861267873e+00, 0.000000000000000e+00, -1.013532218425673e-01, -1.181412308506723e+02, 5.935482066851055e+03, -2.483726720391749e+05, -2.062265336213060e+03, -1.718909148459477e+05, 3.818564820740596e+03, 0.000000000000000e+00, 4.487866983516847e+03, -2.274379086201041e+02, -1.544417635247650e+03, 4.781354082123338e+05, 0.000000000000000e+00, 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