# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cfc7115b-eb34-4751-a96c-b052af7952c9/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 Sm4Au2O9 / Pbcn (60) / materials id 16160](https://mdr.nims.go.jp/datasets/9fb7e2b3-6520-4f83-a14d-826013bccce0) ## Fulltext elements: [O, Sm, Au]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, 150.4, 197.0]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: [3.736215466947218e+01, 3.277797246407875e+00, 7.898880143995094e-01, 8.652810960378900e+03, -3.340602957256021e+02, -7.583191299988061e+01, -3.167567664484453e+04, 8.880011583891379e+03, 4.993441525947513e+03, 7.387276296630158e+02, -2.261616493905362e+03, -1.770991793135990e+06, 1.116150791182837e+05, -8.472571421858969e+00, 5.889637684247236e+04, -1.222149624651546e+04, 0.000000000000000e+00, 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