# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ce47b952-1ee6-4923-ae53-c750b65a3862/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 MgPbF6 / R-3 (148) / materials id 19734](https://mdr.nims.go.jp/datasets/84aa6eb7-b9df-4b67-b90e-3a8677e59aa5) ## Fulltext elements: [F, Mg, Pb]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, 24.31, 207.2]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: [2.275298836035361e+00, 1.968844370307691e-02, 1.387883147608804e-01, 0.000000000000000e+00, 1.549585144181316e+02, 0.000000000000000e+00, 1.909074667114748e+03, -3.489686390859383e+01, 5.707705470611852e+02, 2.448581927115943e+00, -1.006277513740244e+00, 0.000000000000000e+00, 3.542195432948212e+05, 8.757932348951320e+00, -3.452866645332862e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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