# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15ef4af1-e4e2-4deb-ae79-306318359028/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 Li4TiS4 / Pnma (62) / materials id 766540](https://mdr.nims.go.jp/datasets/55f8bb8b-2059-45de-95b7-a33df4b79b89) ## 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: [6.751544368417771e+00, 4.400833962414004e+01, 4.754992972434370e-01, 0.000000000000000e+00, -4.000797644793997e-01, 1.114071932142579e+02, 5.148568363366604e+03, 1.332640899558078e+06, -9.042098091099830e+03, -1.023041996458821e+05, -1.563260829077518e+04, 0.000000000000000e+00, 1.411613145037990e+04, -1.430460246582946e+02, -2.147485802736980e+03, 3.488615822629157e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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