# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e286cfc3-13b5-4fe0-bd88-7508b43b0fa5/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 AsS / P2_1/c (14) / materials id 556328](https://mdr.nims.go.jp/datasets/06fd30af-3e5a-4c11-9474-10c34e980070) ## Fulltext elements: [As, 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: [74.92, 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: [3.780237966415628e+01, -7.077754478848505e+00, 3.755593692167781e+01, 7.439595079817510e+03, -1.891710030392680e+04, -2.649898802305604e+03, -3.999469565447077e+05, 1.602648653244835e+08, -4.228749504064955e+04, -2.904860095007632e+04, 3.174987868325997e+03, -4.550986492789891e+06, 3.711065333633711e+08, 5.533544039214038e+03, 1.791849038984409e+04, 7.078884630348226e+03, -1.882910010889227e+06, 7.494049355210225e+07, 1.030671816354065e+04, 5.885195344077397e+03, -2.316603746677706e+02, 2.361036707478183e+06, -5.064557235906062e+07, 4.785456168160825e+03, 5.569550751662783e+04, -1.928355936114740e+02, -2.051190015700334e+06, 6.318492100581534e+07, 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