# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7d1ecb35-30d8-4e8b-8deb-c554a9a9fa91/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 Ag4P2S7 / C2/c (15) / materials id 27482](https://mdr.nims.go.jp/datasets/1c62113c-876f-45ba-b918-87148b7d455d) ## Fulltext elements: [P, S, 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: [30.97, 32.07, 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: [3.598980209964795e+02, 2.299800982051501e-01, -2.105404175476098e+02, -5.902324210932186e+01, -5.988202079067281e-01, -2.016845052693184e+01, 0.000000000000000e+00, 1.014191634472130e+05, 0.000000000000000e+00, 3.484533065655496e+01, 2.793274557007246e+04, 2.863233827073488e+04, -1.559201369972316e+03, 0.000000000000000e+00, 3.515011840884012e+05, 0.000000000000000e+00, 4.360337698885321e+06, -2.224254546290195e+05, 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