# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f898430e-8af3-4887-b720-cdaab667d8be/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 MgTi2O5 / Cmcm (63) / materials id 28232](https://mdr.nims.go.jp/datasets/403a9a99-4040-4979-b2ee-c298b556804e) ## Fulltext elements: [O, Mg, 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, 24.31, 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: [4.629794248426146e+00, 4.240982548581820e-01, -1.627978776532324e-01, 9.523485115357280e+02, 1.796405977676358e+01, 3.659056646317560e+01, -2.162622243522006e+03, 2.162975173071331e+02, 6.898819882747695e+02, 2.325034049160047e+01, -1.295656210575139e+02, -7.161438111495492e+05, -9.170219982059785e+03, 3.590691574929745e+01, 3.904014226247951e+03, -1.113163509603684e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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