# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4d10bd1d-f4b9-4234-9f23-d0d832221580/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 CuSbS2 / Pnma (62) / materials id 4468](https://mdr.nims.go.jp/datasets/280a76da-1c76-40cd-950f-61d9dc0f45c1) ## Fulltext elements: [S, Cu, Sb]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, 63.55, 121.8]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: [1.864375704428963e+03, 2.956553684412671e-01, 6.047966724945718e-01, 1.323392010446500e+03, -1.188756819928743e+01, 2.122526964229971e+01, 0.000000000000000e+00, 9.443487490266130e+05, 1.133124173155465e+07, 5.541790076779829e+01, -3.638648484763868e+03, 9.521325215419848e+05, 9.081191731839858e+04, 1.431485269001931e+03, -9.883537831696701e+05, -2.017946338627942e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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