# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ec9f35fc-34e5-4ec2-b330-1c695201779a/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 560927](https://mdr.nims.go.jp/datasets/0a3e42e1-a4a8-4853-b411-f8e846d20081) ## Fulltext elements: [Y, 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: [88.91, 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: [4.306486000204838e+03, 2.071486050447398e+02, 2.996040299985156e-01, -2.485609169128546e+02, -3.431021434086879e-01, 2.273014860693042e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.690892105808188e+04, -4.319986950937233e+05, 8.848313303686182e+03, 0.000000000000000e+00, 1.241852649614256e+04, -3.785517458091489e+01, -2.846479553846168e+02, 9.492608375264270e+03, 0.000000000000000e+00, 7.075805929064821e+04, 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