# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/de509268-6871-49a6-adcf-27876638eea0/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 Pb2OF2 / P4_2/nmc (137) / materials id 27355](https://mdr.nims.go.jp/datasets/70343878-0cdb-4ecf-8e4d-5dbdc8c4f2e3) ## Fulltext elements: [O, F, 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: [16.0, 19.0, 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: [9.866539132247114e-01, 3.132727968702629e+00, 1.377924550566534e-01, 2.119428621515102e+00, 2.529580869114845e-01, 2.990922975730599e+02, 5.729914868204371e+03, 8.055192124323608e+04, 2.735677933363982e+01, 4.670041503951947e+04, 8.945328234230450e+02, 5.093372590263491e+04, 5.548082749245150e+02, 4.299991389965478e+01, 1.585341301332010e+02, 9.448391065204452e+04, -2.820245364242186e+04, -1.368457906694910e+03, 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