# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d8bdd56e-639a-4e73-b300-73f2c785e1e2/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 Y4Al2O9 / P2_1/c (14) / materials id 5409](https://mdr.nims.go.jp/datasets/3e312770-f3f4-40af-8876-53ae08a7e229) ## Fulltext elements: [O, Al, Y]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, 26.98, 88.91]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: [1.427373930615248e+01, -2.257900990686445e-01, 1.242488539482248e+00, -2.825420358875508e+02, 6.822253184164387e+01, 2.159323108960245e+03, -4.503031051613547e+03, 6.778244067407701e+02, -3.266239654308177e+03, 8.254936822013208e+00, 1.671427328870902e+02, 1.696408282475000e+04, 1.065949355573903e+04, -1.297182339063828e+02, 6.769698084483032e+02, -2.341002274105415e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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