# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b271f6f9-2bff-47d2-b300-9f6502b3a977/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 La4Al2O9 / P2_1/c (14) / materials id 781707](https://mdr.nims.go.jp/datasets/7ca040e0-f6cc-49c3-9236-a3904a1a4b4c) ## Fulltext elements: [La, Al, 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, 26.98, 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: [1.600742575934808e+04, -5.280939565708421e+01, 1.350841753430765e-01, -3.450637937103431e+02, -1.993132737499972e-01, 1.525334724829839e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.805448258177018e+06, 0.000000000000000e+00, -5.778064978497694e+05, 0.000000000000000e+00, 2.702914115924899e+04, -1.206000989035733e+03, -5.656144329042838e+02, -2.545674370711271e+03, 0.000000000000000e+00, 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