# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1b040bc2-7731-487a-bafa-62d85d2f3d34/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 Cd3SiO5 / P4/nmm (129) / materials id 13820](https://mdr.nims.go.jp/datasets/e51b28d5-b398-402f-9777-0c44944026e3) ## Fulltext elements: [O, Si, 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: [16.0, 28.09, 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: 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: [2.472416087665573e+00, 5.344504035736602e-03, 8.146607385034476e-01, 0.000000000000000e+00, 4.916347872142410e+02, 7.592004855160945e+01, 6.688858295827018e+01, 5.523206090778786e+01, 1.041441897912992e+03, 1.410454273120328e+00, -3.121173400531131e+01, 0.000000000000000e+00, 5.004368889488141e+03, 5.015163779616930e+01, 1.710973407286876e+04, -2.449223498474354e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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