# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f13fb203-cd7e-46a9-b58c-b8fe44a9618c/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 Ho2S3 / Pnma (62) / materials id 8956](https://mdr.nims.go.jp/datasets/f9629e03-7fdd-4424-bd38-b71f673bccec) ## Fulltext elements: [S, Ho]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: [32.07, 164.9]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: [-1.390756890683258e+02, -1.232096685060949e+01, -2.216649093230448e+04, -9.421167678237144e+06, 3.899287923998209e+05, 1.642797819027138e+04, -6.965488733567591e+07, 0.000000000000000e+00, 8.745992244809077e+05, 1.692837907433492e+05, -1.205090036796920e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.029112763346242e+07, -3.295669423684001e+06, 3.089584719525351e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.046201914228261e+06, -6.103921954178475e+05, -3.286944556601006e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.631885287010832e+06, -4.965760700302076e+05, -3.461535594091302e+04, 1.167741885191889e+07, 0.000000000000000e+00, 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