# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5b69e12b-6814-41dc-b4a6-ee6f91240000/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 Ga2TeO6 / P4_2/mnm (136) / materials id 28931](https://mdr.nims.go.jp/datasets/57c3131f-5277-42d4-be5c-b239a75c0cb3) ## Fulltext elements: [O, Ga, Te]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, 69.72, 127.6]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: [2.074069378890390e+00, 6.077527596537092e-03, 6.744316954900384e-02, 2.965615107090132e+00, 3.372233676559805e+00, 0.000000000000000e+00, 1.499585316354501e+03, -1.883898040414372e+02, -2.899453965012248e+00, 4.510248083470825e+00, -3.861396207075857e+01, 4.344815175221356e+02, 1.573787868034223e+02, 4.535136031648276e+00, -4.182939121903274e+02, 0.000000000000000e+00, -3.959642980906241e+03, 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