# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8ac7b962-5ddf-4a3f-b3d3-3cd2ffa88dc7/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 Al2SiO5 / Pnnm (58) / materials id 4753](https://mdr.nims.go.jp/datasets/a04ee38d-afb8-4638-81e8-b2a2b7c0d62d) ## Fulltext elements: [O, Al, Si]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, 26.98, 28.09]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: [7.136023101452889e+00, -8.399114869254327e-02, -5.248519634853033e-02, 1.498121825266026e+01, 4.960540059780897e+01, 0.000000000000000e+00, -4.430556087740870e+02, 1.364323680705226e+02, 3.487065905156772e+02, 7.280035553519292e+00, -3.356598441367719e+01, 2.482436853376595e+02, 5.863389441382955e+03, 4.369931137634024e+00, 2.136305713166999e+03, 0.000000000000000e+00, 4.738189039190414e+04, -1.488063193626161e+05, 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