# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e50c1139-0c0e-4a59-9f56-efe06e21982d/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 SrHgO2 / R-3m (166) / materials id 978857](https://mdr.nims.go.jp/datasets/c6f7bbce-1762-4c7c-829f-28662656f8cc) ## Fulltext elements: [Sr, Hg, 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: [87.62, 200.6, 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: [8.152219957177967e+02, 4.312685673942358e+02, 1.177262465406154e-01, -2.896405611901627e+02, 1.040956603212284e-01, 2.411542844839716e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.053295541036163e+04, 0.000000000000000e+00, 1.105911514503391e+06, 0.000000000000000e+00, -1.244811685609249e+05, 6.345872407273404e+01, -1.073614378569240e+02, 2.485563758579201e+03, 0.000000000000000e+00, 7.649093038557161e+04, 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