# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cb018127-e4f5-44e4-aa4c-25298fa38bec/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 La2Te4O11 / C2/c (15) / materials id 31249](https://mdr.nims.go.jp/datasets/b2348cff-80a3-47b3-bca0-0b8fb948d609) ## Fulltext elements: [O, Te, 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, 127.6, 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: [4.324266738366195e+01, -6.608847141959373e-02, 4.318414926803587e+00, -1.954707054547501e+03, 7.784385336627091e+03, -1.835539594630609e+04, 8.157710292350045e+04, 3.903789673623108e+03, -3.509717137700356e+04, 2.417442200431161e+01, 4.862309764563706e+02, 1.449705735751199e+06, 4.214534866655196e+06, -3.387938643843732e+02, 5.468388086323355e+06, 5.222195667809728e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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