# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b2a2ddef-01f0-4871-864b-163b77a3a0c9/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 Lu2GeO5 / C2/c (15) / materials id 768388](https://mdr.nims.go.jp/datasets/261f8579-a585-409d-86d4-ead92366a58a) ## Fulltext elements: [Lu, 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: [175.0, 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: [8.695342880706582e+02, 1.856786784712829e+02, 3.982138713489912e+00, 2.372073535037149e+04, -1.185605732674737e-02, 2.515346244692416e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.702778314319514e+05, -7.191328319188628e+06, 1.407780530525247e+04, 0.000000000000000e+00, -2.179994162903983e+03, 2.053319463314284e+02, -3.241114225086150e+02, 1.671238280516997e+04, 0.000000000000000e+00, -2.265564031098898e+06, 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