# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dd45521d-b66e-4cd8-b3ab-28a06de96254/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 AgAsS2 / R-3 (148) / materials id 13740](https://mdr.nims.go.jp/datasets/0b62d70f-7cbb-433e-ab48-f7622f30cd99) ## Fulltext elements: [S, As, Ag]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, 74.92, 107.9]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: 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: [2.212358874739645e+02, 7.268505644403183e-01, 2.660030009586460e+00, -1.428484132958602e+02, -1.084157953929085e+02, -4.767627497701567e+02, -1.205620716238514e+07, -8.467491712907434e+04, 3.590307454789316e+05, 2.994693749053744e+02, -7.434466763195212e+03, 1.196758370362277e+05, -2.218937085928501e+05, -1.023081774445100e+03, -3.895062735684991e+06, -1.761165406928004e+06, 0.000000000000000e+00, 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