# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/04dab6ce-6c44-4878-a16a-258f400a4774/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 / C2/c (15) / materials id 559289](https://mdr.nims.go.jp/datasets/ec43493d-abb1-41d6-9081-2dbcc0ce2460) ## Fulltext elements: [Y, Ta, 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, 180.9, 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: [1.491303840277084e+03, 1.119453424684383e+03, 3.976878718920049e-01, 4.327469991931221e+02, 2.219491240839680e-01, 1.130351026544753e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.749607290182361e+05, 0.000000000000000e+00, 1.781314841754081e+06, 0.000000000000000e+00, 3.045989853339453e+05, 2.391291252243168e+02, 2.140794548314454e+02, -9.743250554913739e+02, 0.000000000000000e+00, -6.330082091203239e+03, 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