# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2da81566-2974-43b0-a640-1f4f4255e133/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 Ga2HgS4 / I-4 (82) / materials id 4809](https://mdr.nims.go.jp/datasets/bc29dad8-d1ac-4a2d-a5eb-d4f03a367b17) ## Fulltext elements: [S, Ga, Hg]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, 69.72, 200.6]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: [8.973890543285073e+01, 1.691004331435096e-01, 5.559434348569963e-01, 3.960825810023097e+01, 1.145899451660731e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.386416913825848e+04, 4.168238626908645e+05, 3.657842499743564e+01, 4.502628355494677e+01, 9.832180515454281e+05, 5.417248693854597e+05, 5.689616016782500e+02, 2.440867893371337e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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