# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/55c13476-7c31-4b55-9da0-3f83a818728b/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 / P2_1/c (14) / materials id 772812](https://mdr.nims.go.jp/datasets/4183dae7-3dbd-44f5-9edb-28739a489ab8) ## 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: [3.260363599089383e+03, 6.907704533674224e+01, 4.739314662854444e-01, 8.788727033566023e+03, 2.325900096686012e-02, 3.879298224667818e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.765245708734650e+05, 1.236703223788482e+07, -2.926335990205281e+04, 0.000000000000000e+00, 4.679090709107993e+03, 6.866174053050185e+01, -5.417076631130359e+02, 4.597704115348121e+03, 0.000000000000000e+00, -1.039796488344464e+06, 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