# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/384c7098-7a96-4812-bc21-fefff6b70d94/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 Tm2GeO5 / P2_1/c (14) / materials id 768517](https://mdr.nims.go.jp/datasets/fb70d3c9-1c52-4ccf-8225-d1f5a55098d0) ## Fulltext elements: [Tm, 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: [168.9, 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: [4.349637099184020e+03, 2.423649845709977e+01, 1.778819841353813e-01, 2.710295283892423e+04, 1.396249036158417e-01, 4.293407162692684e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.626331988640868e+05, 2.551286681782866e+07, -1.002236389319553e+04, 0.000000000000000e+00, 1.121909701776763e+04, 1.067947254336826e+02, -4.659589780144734e+02, 6.662682568587340e+03, 0.000000000000000e+00, 1.635866890582506e+06, 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