# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6dc0ee75-6a13-4b7c-b961-04138f5bda6b/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 Ag2HgS2 / P2_1/c (14) / materials id 9635](https://mdr.nims.go.jp/datasets/4488e98c-06e4-4482-84b5-24e395091dd2) ## Fulltext elements: [S, Ag, Hg]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, 107.9, 200.6]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: [3.909626348339402e-01, 1.234954256633134e+00, 2.222046045808571e-01, 3.715575647360867e+00, -8.678398463529748e-01, -2.655843661872395e+04, 0.000000000000000e+00, -2.974874347662993e+04, 2.986514415567357e+05, 1.016463499133014e+03, -1.716153171063328e+03, 6.140476497551645e+03, 1.540688752817735e+04, 7.670486315864114e+02, -3.396345787563125e+04, 0.000000000000000e+00, 1.326373944761312e+04, -2.658697355611245e+05, 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