# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a1e5a437-2472-452d-8882-309fe675fc73/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 Na3AlF6 / P2_1/c (14) / materials id 3416](https://mdr.nims.go.jp/datasets/2b9f15cd-5cdd-4737-888c-f166995aba4d) ## Fulltext elements: [F, Na, Al]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: [19.0, 22.99, 26.98]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: [8.564941806379872e-01, 1.554471776340445e-01, 2.797385325109782e-03, 1.937524153906282e+01, 1.424418517503493e+01, 0.000000000000000e+00, 1.835890763242932e+02, 1.248824765284839e+02, 1.037281293587857e+01, 3.910977320173529e+01, -1.067002876956280e+02, -3.976411292754877e+03, 3.400696353531959e+03, 1.139346059694223e+00, 7.353772195011351e+02, 0.000000000000000e+00, -4.124094549441229e+04, 0.000000000000000e+00, 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