# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed549aa6-2015-4b8c-a949-5207d3d02a7d/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 Lu6Ge4O17 / P2/c (13) / materials id 28216](https://mdr.nims.go.jp/datasets/4ab30478-7b30-4f04-ae4a-672029c18dab) ## Fulltext elements: [O, Ge, Lu]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, 72.61, 175.0]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: [3.673459659726482e+01, 2.927458763810492e-01, 1.214599248286381e+00, 1.760294404324767e+01, 4.575468886351035e+02, 5.739198112429431e+02, 1.004747430993608e+04, 5.440274965793863e+03, 1.713616011903048e+04, 6.078138147958612e+00, -3.039493128441023e+02, -3.679907195650265e+04, -1.068551020818793e+05, -5.998633646220955e+01, 3.352388351396028e+05, 3.293822952107809e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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