# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dab5605e-0060-4475-ac3b-a925f5e5b852/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 Na2GeF6 / P321 (150) / materials id 17297](https://mdr.nims.go.jp/datasets/f8488491-efcf-4279-b111-d4369321ed33) ## Fulltext elements: [F, Na, Ge]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, 72.61]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: [4.256901762861157e-01, 1.762295639860740e-01, 2.168960607989629e-02, -7.820448647020744e+02, 7.638210427710182e+00, 0.000000000000000e+00, 1.665102372516380e+02, 1.214470003254427e+02, 2.082277948876196e+01, 4.154289530954841e+01, -1.768195800984864e+01, 0.000000000000000e+00, 4.269170996614815e+03, 1.009884689377340e+00, -3.186066070515848e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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