# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/032edb5b-b85e-4c03-ad3e-2e112fd92945/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 La4Ti3O12 / R-3 (148) / materials id 3249](https://mdr.nims.go.jp/datasets/b91a4400-aa90-4f0d-b6f2-f813f0b7b164) ## Fulltext elements: [O, Ti, La]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: [16.0, 47.88, 138.9]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: [6.747546677055384e+00, 3.257266915025922e-02, 3.601379868402876e-01, 4.574742922844616e+04, 1.212509059741186e+02, -1.838684851653105e+02, -1.153939221916482e+03, -7.768388230138216e+01, 5.049544150526897e+02, 1.158572678082150e+01, 1.158765950246148e+02, 8.414170352347334e+05, 7.459537715887766e+03, 4.082234253207579e+02, -1.260108584656286e+04, 2.015983919722170e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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