# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9166bf5e-a9d9-420f-93ea-de020611a313/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 Tb2SO2 / P-3m1 (164) / materials id 12668](https://mdr.nims.go.jp/datasets/98dac5c5-02b7-4bde-b14f-3737c9b9691d) ## Fulltext elements: [O, S, Tb]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: [16.0, 32.07, 158.9]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: [1.313201196087982e+00, 7.123573097946071e+00, 1.523626579962563e-01, 2.572504108868133e+02, 1.150241240334330e+00, 2.581565233968669e+02, -3.555147689556345e+02, -8.196511370919601e+04, 2.830755532760757e+02, 4.642958765666026e+05, 1.287102687092796e+04, 0.000000000000000e+00, 2.919388480452764e+04, 7.284370030532511e+01, 2.135455782135547e+03, 3.856027064891536e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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