# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f14ae016-beb0-4d02-8888-5de3bc302949/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 Tb2S2O / P2_1/c (14) / materials id 982366](https://mdr.nims.go.jp/datasets/f0ee7c32-a779-40f3-ae83-7665e072b2f6) ## Fulltext elements: [Tb, S, O]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: [158.9, 32.07, 16.0]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: [1.330533806184579e+03, 4.486153831635830e+00, -6.403426043666093e-01, 2.251937979162865e+01, 2.047020397244247e+01, 3.495164782248891e+00, 0.000000000000000e+00, -1.134957601267164e+06, 1.118103372414867e+05, -2.205285029820209e+04, -3.612546399786359e+03, 2.390287179407427e+05, 4.071771009953648e+05, 1.072625810014413e+02, 2.096944314239462e+04, 7.551426429334073e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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