# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/607e6c59-1c60-4aad-849d-f5a11eb92c60/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 Sr(AuO2)2 / I4_1/a (88) / materials id 9298](https://mdr.nims.go.jp/datasets/921e3529-d9bd-4972-b82e-c5808e102838) ## Fulltext elements: [O, Sr, Au]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, 87.62, 197.0]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: [6.878529217121105e+00, 5.430931573870371e-01, 1.663513333126839e-01, -3.208135437471887e+03, 7.445794539128347e+02, 4.505542120808688e+00, 1.381047938612128e+03, -1.307905308713691e+03, 5.374090375069742e+02, 4.168658463267976e+02, 1.164964119761099e+02, 0.000000000000000e+00, -4.695552203918510e+05, 1.036837635478324e+01, 5.997072568747977e+04, -9.358148842170542e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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