# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/20cb48f3-03d6-4fd6-9d97-3878b6677214/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 HgO / Pnma (62) / materials id 1224](https://mdr.nims.go.jp/datasets/13836647-0926-4b25-b5c2-f897edc5fdeb) ## Fulltext elements: [O, 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: [16.0, 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: 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: [1.371367843065095e+02, 8.943359430554566e-01, 3.463500433245139e+01, 0.000000000000000e+00, 7.479128307740053e+04, 9.809928495957291e+00, 3.372937156369008e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.183733053785955e+05, 4.356963789013058e+02, 1.121373914761875e+05, 0.000000000000000e+00, 0.000000000000000e+00, -1.401967294432330e+05, -1.282604232808786e+01, -5.102718513627658e+05, 0.000000000000000e+00, 3.047701783628555e+06, 3.560556594213648e+04, 4.826628703635489e+01, 7.670096341833901e+05, 0.000000000000000e+00, 0.000000000000000e+00, 7.401953579746089e+04, -1.790966208916400e+01, -7.280166099070283e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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