# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4b8d79f6-f2fc-4e80-ab8f-046dda4fd45f/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 Li2S / Fm-3m (225) / materials id 1153](https://mdr.nims.go.jp/datasets/7d218299-d91b-47f1-a90c-6073fdc18607) ## Fulltext elements: [Li, 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, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.232733655316493e+00, 4.551802972382282e-01, 7.406020399036183e+02, 2.418063287708622e+03, 1.444889357982182e+02, 5.036332370596038e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.194379285284372e+03, -8.040080093168283e+02, 1.911566811194454e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.667416300302264e+04, -1.569835960572247e+03, 3.743161399171121e+02, 0.000000000000000e+00, 0.000000000000000e+00, -2.584972701460831e+03, 3.789571359322936e+02, 4.104810013468217e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.427447504018703e+03, 1.779009584442654e+01, -8.448179370124210e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.909422026595046e+03, 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