# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/149cb4b8-7e6b-49fc-be4b-c0ec134e1a9b/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 H2Pb3O4 / P-42_1c (114) / materials id 28475](https://mdr.nims.go.jp/datasets/930dc11a-53ed-4e42-874d-886cd850f9f3) ## Fulltext elements: [H, O, Pb]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: [1.008, 16.0, 207.2]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: [-4.651015466314353e+03, -4.036446981714438e+00, 1.601198957869372e+01, 7.689247649672791e+01, 6.131620630199366e-02, -1.372231477220364e+03, 0.000000000000000e+00, -4.180783804745172e+04, 0.000000000000000e+00, -2.357488849892303e+01, 8.731911795983928e+02, -5.278069856537489e+03, -1.823307415549649e+02, -3.785954564818076e+04, -1.274386581762164e+04, 0.000000000000000e+00, 1.151714898242580e+05, 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