# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/37af287c-5998-4d76-90ff-043258e9330f/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 TiAl2O5 / Cmcm (63) / materials id 4930](https://mdr.nims.go.jp/datasets/7e52d45e-9f99-40c1-bee5-59ef9a0c94d3) ## Fulltext elements: [O, Al, Ti]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, 47.88]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: [5.992292997593932e+00, 2.290744153704105e-02, -2.213482161063189e-01, 1.294785687648778e+01, 1.591251975355794e+01, 1.595134331864546e+03, 4.359084161436110e+02, -7.595398432217938e+01, 9.971055300044416e+02, 5.655974436804494e+00, -3.284879438331796e+01, 3.363601065040867e+01, -2.061622142498355e+03, 2.145062846202021e+01, -2.632971330293770e+03, 1.873815711727000e+04, 7.975487770309921e+04, 5.261243130557600e+05, 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