# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fcc5a4fc-d849-4527-ad21-e9f22139932c/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 HgSeO3 / Pnma (62) / materials id 9228](https://mdr.nims.go.jp/datasets/54930b18-1d8d-427b-8160-15508bfba20a) ## Fulltext elements: [O, Se, 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, 78.96, 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: [2.516085184999584e+00, 1.833032261628900e-02, 1.111578643307272e-01, -1.887976984317795e+04, 2.288933247367699e+01, -2.165630648057779e+04, 2.238045573549841e+03, 5.144381107456769e+01, 7.836479026738979e+02, 5.252269685654068e+00, 2.281258923663849e+01, 0.000000000000000e+00, 2.921265499942802e+03, 9.173578933233202e+01, -8.356597199200615e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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