# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9cb8e2c2-2593-4ad2-9f78-6ae0e2548020/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 Sc2Se3 / C2/c (15) / materials id 684690](https://mdr.nims.go.jp/datasets/6ade3fb6-8523-44e1-a092-55065cd58e6f) ## Fulltext elements: [Sc, Se]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: [44.96, 78.96]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: [-5.024991015176946e+03, -8.100903805375083e+00, -1.538717996116163e+02, 0.000000000000000e+00, 6.827669714888202e+06, -6.092101123086054e+03, -1.359513898149462e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.004088326790219e+04, -4.000430521825590e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.908483539350488e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.704153950169286e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.991164016446383e+03, 4.517742879745907e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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