# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/57d32456-73f4-4df5-ae3d-82ad9a828964/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 Na5Zr2F13 / C2/m (12) / materials id 555272](https://mdr.nims.go.jp/datasets/6a8fbc4d-a467-47d2-b617-5a79be0c9e38) ## Fulltext elements: [Na, Zr, F]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: [22.99, 91.22, 19.0]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: [2.231260962835686e+02, 3.008627412361092e+02, -2.117083821937138e-01, -9.976238782865918e+02, 2.109464155637436e-01, 2.321702788390079e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.089852158499900e+04, 0.000000000000000e+00, -8.088345790152831e+04, 0.000000000000000e+00, 8.228950722767433e+04, 5.723646144580984e+01, 2.292319416934980e+01, 2.130217262238179e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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