# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a5146fbd-5bda-46f5-ac2d-5f7c94e96303/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 TmTaO4 / P2/c (13) / materials id 12933](https://mdr.nims.go.jp/datasets/179e28a0-0664-4260-b2c8-f0f1281250ad) ## Fulltext elements: [O, Tm, 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, 168.9, 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: [4.744021664146574e+00, -7.378284931005939e-02, 1.108805689850376e-01, -1.385508703076541e+02, 5.544035304165336e+02, 3.427302287841154e+02, -1.284299583107854e+03, 3.213598269086751e+03, 1.140708906478892e+03, 1.157933730422106e+02, -3.005648036030571e+02, 2.416151171897118e+05, 1.896462453662005e+05, 5.951905782795684e+01, 5.139755258100873e+04, 6.384877096577583e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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