# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/542fa034-1e68-42e5-bdad-58ea7f9c869f/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 Y4Ga2O9 / P2_1/c (14) / materials id 769481](https://mdr.nims.go.jp/datasets/34e4bf02-ebda-47c6-a775-7e9fd44f1e03) ## Fulltext elements: [Y, Ga, 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: [88.91, 69.72, 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: [-9.407577374447813e+01, 6.778736887354462e+01, 1.400913422921472e+00, -5.519910809714474e+02, 3.624750175310969e-01, 1.947437572598024e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.948840326881986e+05, 3.705341686873391e+07, -2.031424646569891e+05, 0.000000000000000e+00, 3.991066277206328e+04, -1.451417794061803e+02, 8.264611510212296e+01, 1.322203038731851e+04, 0.000000000000000e+00, 1.156017818877783e+05, 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