# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a6e60c82-5887-472b-adec-8f13a2552bba/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 CdP2 / P4_32_12 (96) / materials id 913](https://mdr.nims.go.jp/datasets/2637a043-b26a-47f7-b052-77f4634006d8) ## Fulltext elements: [P, Cd]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, 112.4]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: [1.531803482201187e-01, 7.526203825009884e+00, 1.869573280558577e+04, -2.683059863108150e+03, -9.954303668111846e+03, 6.455413389466603e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.470991781598139e+03, 2.161772685740262e+04, -1.172782322966570e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.395415552766199e+03, -4.174775032719216e+03, -8.800274879546436e+03, 0.000000000000000e+00, 0.000000000000000e+00, -6.046129148059231e+02, 3.934851202847089e+03, -1.654731321201371e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.163777719576418e+02, -8.972529406539514e+03, -6.138186579162084e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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