# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6bdde4da-66b7-4904-86cf-3e1c33b8cdee/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 Li2GeF6 / P321 (150) / materials id 5368](https://mdr.nims.go.jp/datasets/980de099-65da-422f-bff5-a63eb9a56a91) ## Fulltext elements: [Li, F, 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: [6.941, 19.0, 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: [4.233843834447958e+01, 1.832122431554890e-02, 1.685758580707903e+00, 4.975332227059515e-01, 2.922569241601966e-02, 0.000000000000000e+00, 0.000000000000000e+00, -6.571583172935926e+03, 0.000000000000000e+00, 4.014327709506980e+00, -8.489020505458406e+01, -3.489900178340518e+01, -9.409790141019261e+00, -4.026590606572322e+03, -2.321006025269289e+00, 0.000000000000000e+00, 2.384370775766941e+02, 1.213899313317356e+01, 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