# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/88223950-b7fe-4f60-bf02-fa41781e3b24/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 Ag3AsS3 / C2/c (15) / materials id 561620](https://mdr.nims.go.jp/datasets/5c8fa776-6b89-4cb8-ba71-75c4649350c7) ## Fulltext elements: [Ag, 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: [107.9, 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: 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: [6.187870880473628e+00, -3.530049911992724e+01, 9.562191803954778e-01, -1.944436319132244e+02, -6.646925966350891e-01, -2.589317131504873e+02, 3.074014245311741e+05, 4.828016302595166e+06, 1.724285240012795e+04, 0.000000000000000e+00, 2.739644573777490e+05, 0.000000000000000e+00, -2.902480588126623e+05, -1.662588681576415e+03, -2.423181920636513e+03, -8.593083131772192e+05, 0.000000000000000e+00, 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