# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9456c84c-63a0-4901-90ab-726451ffff9e/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 / P2_1/c (14) / materials id 557224](https://mdr.nims.go.jp/datasets/f0404c14-1726-43d2-a79d-69026e7a06b4) ## Fulltext elements: [Hg, Se, O]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: [200.6, 78.96, 16.0]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: [2.588866694827774e+04, -5.049734316937915e+01, -7.491179988866171e-01, -3.107067195728767e+03, -6.393451956220337e-01, 2.320277801640292e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.675534506573930e+07, -1.655777534031147e+07, 4.889707680282342e+05, 0.000000000000000e+00, 2.502498913877908e+04, 1.116860990346975e+02, -7.348812177485678e+01, 1.007188616113592e+04, 0.000000000000000e+00, 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