# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b830be74-60e3-45ee-aac2-440a919b8adb/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 Li2TeS3 / P2_1/c (14) / materials id 558731](https://mdr.nims.go.jp/datasets/efb03381-6fa9-4586-acc7-e4f1693f0422) ## Fulltext elements: [Li, Te, 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, 127.6, 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: [9.324708225549664e+01, 3.908675820463446e+01, 2.092033009942483e-01, 9.232428748744805e+01, 6.910940964093474e-01, 2.870718057304600e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.640132981544053e+05, 0.000000000000000e+00, 6.496586550073447e+05, 0.000000000000000e+00, 1.734037524014711e+05, 7.048390773583175e+02, -1.201970981300028e+03, 2.877922210520260e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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