# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/41978386-e8fd-496f-8f78-ee0bae1184a0/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 Tm2S3 / P2_1/m (11) / materials id 2309](https://mdr.nims.go.jp/datasets/c7379c6b-947f-4795-921e-1470dcb25a05) ## Fulltext elements: [S, Tm]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, 168.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.066793994698556e+02, -1.098079773119697e+01, -2.868770508722785e+04, 1.416987649255392e+07, -6.724556205425858e+05, 1.650561029301847e+04, -3.045335141288524e+07, 0.000000000000000e+00, -3.008380172760776e+07, 3.143181601437352e+06, -2.690800038464408e+04, 0.000000000000000e+00, 0.000000000000000e+00, 8.781614209285075e+06, -1.242352885201783e+06, 1.196631301944970e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.363152031153667e+07, 6.336090614763190e+05, 1.756150696629030e+03, 0.000000000000000e+00, 0.000000000000000e+00, 8.278421715212370e+06, -5.084216511232901e+06, 5.098483720638245e+03, -5.153107141341457e+07, 0.000000000000000e+00, 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