# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e811c344-f6b8-4e20-91d7-be6a68bae26e/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 Li8PbO6 / R-3 (148) / materials id 22538](https://mdr.nims.go.jp/datasets/82befecb-027d-4aa1-8cc0-fa159aa7b1aa) ## Fulltext elements: [Li, O, 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: [6.941, 16.0, 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: [1.782450767659903e-01, 3.212550096222722e-02, 5.972476530257944e-01, 3.735642689703528e+00, 3.565066511258706e-02, 0.000000000000000e+00, 1.744467744350105e+01, 7.444544120905995e-01, 3.232060942792280e+02, 8.078712962831299e-01, 5.938289499799315e+00, 1.154688045731310e+01, -6.278725519179416e+00, 3.151837677096731e+02, 6.605447835676713e+00, 0.000000000000000e+00, 2.289580267516113e+04, 5.015144048111152e+02, 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