# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5e004667-a04a-4715-8ee8-dea5c32594f9/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 Li2ZrF6 / P2_1/c (14) / materials id 542219](https://mdr.nims.go.jp/datasets/d73529aa-0483-42f1-841d-c07184535517) ## Fulltext elements: [Zr, F, Li]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: [91.22, 19.0, 6.941]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: [6.082708646380796e+02, 3.822570299495026e-01, 3.269444215021971e+01, 3.340011609023161e+00, 6.187386209969289e-03, 6.437390600701199e+00, 0.000000000000000e+00, 6.207723570799538e+05, 0.000000000000000e+00, 3.261451544444218e+01, 1.780110458361715e+03, 1.228916903269886e+03, -2.077040490093916e+02, -2.011701819302356e+06, 7.702968166598387e+03, 0.000000000000000e+00, -6.153171026345274e+02, 1.103008013034823e+03, 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