# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dfe3d062-d748-46d7-875b-b4bc3a11cb9d/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 La2Se2O / P2_1/c (14) / materials id 753822](https://mdr.nims.go.jp/datasets/c2672b49-1ff3-4e6b-b8ba-3efec34f6f10) ## Fulltext elements: [La, Se, O]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: [138.9, 78.96, 16.0]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: [3.678432912250589e+03, 3.030966021993791e+01, -1.036892447997511e+00, 2.299049045404563e+02, 7.897922057063799e+01, -4.023191422177055e-01, 0.000000000000000e+00, 0.000000000000000e+00, 3.436946103471617e+06, -1.038374127415741e+05, -9.526507189003194e+02, 0.000000000000000e+00, 7.976244492197727e+06, 4.388976129680008e+02, 8.509928072488532e+04, -4.121546103691922e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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