# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d5cd40f-0eba-455c-b58e-6be69c849851/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 PH4Br / P4/nmm (129) / materials id 27689](https://mdr.nims.go.jp/datasets/3a11adec-4534-4b0d-98fc-b9c509ee0229) ## Fulltext elements: [H, P, Br]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: [1.008, 30.97, 79.9]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: [5.612077965708138e-02, 1.154965496168983e-02, -8.408004229534898e-02, -8.934398022121299e+03, 7.952478327858334e+00, 4.130454679489644e+02, 1.073636073902754e+01, 3.472125346368623e+00, -8.441489737055024e+00, 1.733952987334718e-01, 2.492912581988370e+01, 2.089009823639557e+05, -3.517076979728984e+02, 8.273539562459025e+01, 5.849257393269970e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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