# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ad20fdc0-8165-421d-b714-46ca3698773a/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 Li8TiS6 / R-3 (148) / materials id 754266](https://mdr.nims.go.jp/datasets/f90f1402-3ce4-4bae-96f2-6df9b138a1bc) ## Fulltext elements: [Li, Ti, 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, 47.88, 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: [1.140078014026114e+00, 5.406963548132540e-01, 2.698452753201455e-01, 0.000000000000000e+00, 5.660307923728702e-02, 3.040720293457368e+01, 1.357174524644878e+02, -1.388960097664494e+05, -9.348650518032240e+01, 3.590517904768940e+04, -2.275720410516491e+03, 0.000000000000000e+00, 1.245397622828064e+03, 4.054463243686767e+01, -1.747287982646807e+02, -2.131256323423684e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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