# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c43e4abf-7a00-4e08-930a-eab584eba935/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 769409](https://mdr.nims.go.jp/datasets/3e437501-9fbc-4aec-85f2-d0a2d1213ede) ## 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: [1.433181720999120e+03, 1.885564665286092e+02, 4.112609801905724e-01, -9.197087604928937e+02, 4.740995304291309e-02, 2.201238165474048e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.080262797383857e+05, 2.313229488890881e+07, -2.007496159715534e+05, 0.000000000000000e+00, 4.896123238314428e+04, -1.301650568744655e+02, -2.530911728286195e+02, 2.584028758355152e+03, 0.000000000000000e+00, 5.697234329619972e+04, 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