# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/687d0c38-be80-4e6c-9416-99c263cf662e/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 YTaO4 / P2/c (13) / materials id 5377](https://mdr.nims.go.jp/datasets/b42afadf-5dbb-40a2-835b-7ff5c9695c1a) ## Fulltext elements: [O, Y, Ta]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, 88.91, 180.9]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: [4.683610903714121e+00, -2.012408432310178e-01, 2.434765463329330e-01, -1.715125748101375e+02, 4.930043818823775e+02, 4.343966482748961e+02, 2.704916211729812e+01, 7.590620834095440e+03, 1.339706907308867e+03, 1.113263434355432e+02, -4.311223120533994e+02, 2.591514028089129e+05, 5.013022034102013e+05, 6.002076188433688e+01, 6.201821016513823e+04, 1.861003927361123e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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