# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d56a81d2-8162-4410-ad52-f6f5cd8c4fdf/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 Hg3(ClO)2 / P2_1/c (14) / materials id 22999](https://mdr.nims.go.jp/datasets/2ca8a3db-90f3-4ff2-b3bb-aad9e4644edd) ## Fulltext elements: [O, Cl, 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, 35.45, 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: [1.325214972594654e+01, 7.401815339545351e+01, 5.635599618871283e-01, 1.449714944290408e+02, 7.783728254779252e+00, 2.290272222169271e+01, -2.934882250256476e+05, 6.153266009455341e+06, 7.114116590904728e+02, 0.000000000000000e+00, -5.704666406984918e+03, 0.000000000000000e+00, -2.413898545643841e+05, 5.440843205433228e+01, 1.695757618513603e+03, -4.350527456188356e+05, 0.000000000000000e+00, 8.259801259934629e+06, 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