# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7a3ecc15-a1a6-4a86-b2e1-b73e7dfdf9df/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 Na2SnF6 / P4_2/mnm (136) / materials id 8081](https://mdr.nims.go.jp/datasets/ca058188-5c95-4dc6-8b5b-978fb7df5cb7) ## Fulltext elements: [F, Na, Sn]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, 118.7]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: [2.251721444731984e+00, 1.228514672115367e-01, 1.439869824083222e-01, 8.136758369667060e+00, 5.199035138378551e+00, 0.000000000000000e+00, 1.993020095643677e+03, 4.474902876316211e+02, 1.913302516684435e+02, 2.646212144391466e+01, 2.535155501530098e+02, 9.278976440025373e+03, -9.129754371473888e+03, 7.256762564538034e+00, 3.543353545005572e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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