# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/69ade3cc-9725-4a8f-a477-8ad3e6b4111a/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 Y2GeO5 / Pnma (62) / materials id 768814](https://mdr.nims.go.jp/datasets/5b05ea17-9c63-4f08-9bc2-ee7b4323e91e) ## Fulltext elements: [Y, Ge, O]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: [88.91, 72.61, 16.0]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: [6.695338239994278e+02, 1.609169352875658e+02, 1.393696800662092e+00, -2.099619726829975e+04, -2.117731029968442e-01, 3.052045220599590e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.317620474840615e+04, 1.919611371151704e+07, 1.726447164577751e+05, 0.000000000000000e+00, 5.950536091644938e+03, -9.724033873252277e+01, -1.167747340693397e+02, 2.102378451677486e+03, 0.000000000000000e+00, -8.201280990867687e+05, 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