# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f00149c-61cd-4c1a-b200-a978366f93b0/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 DyCuS2 / Pnma (62) / materials id 555044](https://mdr.nims.go.jp/datasets/5a995619-179a-4348-934c-cef444513f61) ## Fulltext elements: [Dy, Cu, S]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: [162.5, 63.55, 32.07]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: [2.415865194344857e+03, 3.012872657911846e+00, 1.738254853800658e+00, 9.323952531324100e-01, -1.888183830966575e-02, 1.859632774851853e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.317763775308325e+03, -2.341840470901035e+04, 2.174579718548742e+05, -8.962864918307869e+03, -5.709489176089796e+02, -8.543605508990620e+01, 7.307921478195725e+06, 2.212603663056533e+03, 3.704727171581896e+02, 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