# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4b39f75f-5dcf-4d30-a51b-5a879a64d6d0/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 TlP5 / Pmc2_1 (26) / materials id 27411](https://mdr.nims.go.jp/datasets/616d7a04-8cef-4aa0-ae6c-6ae835cc3f42) ## Fulltext elements: [P, Tl]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: [30.97, 204.4]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [4.992934239249894e-02, 1.985907575778760e+02, 1.640791732601488e+05, -5.404665254073307e+02, -1.123744167948416e+04, -2.747012302862651e+06, 0.000000000000000e+00, 0.000000000000000e+00, 6.426610245109613e+03, -1.050910044887598e+05, 7.229953174671199e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.184594494165116e+04, -1.914124399941717e+05, 3.669345257108378e+06, 0.000000000000000e+00, 0.000000000000000e+00, -7.379243720062819e+02, 7.636228588152853e+04, 2.222646622312555e+05, 0.000000000000000e+00, 0.000000000000000e+00, -8.626979808978114e+02, -5.214155693999036e+04, 4.138957339036237e+06, 0.000000000000000e+00, 0.000000000000000e+00, 9.630697984135981e+02, 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