# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c2944621-08e9-4432-825f-ebc964305302/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 Sr2Sb2O7 / Imma (74) / materials id 4103](https://mdr.nims.go.jp/datasets/4efb0977-e4f8-46d5-9f70-110ff4ddb566) ## Fulltext elements: [O, Sr, Sb]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, 121.8]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: [8.046097529174581e+00, 1.682660764760356e+00, 5.813034488220935e-02, -1.514234173576178e+03, 1.035091024615428e+03, 3.303289279562500e+02, -6.559556151735892e+02, 1.079633125046483e+04, 9.100788805945667e+02, 3.393265689875220e+02, -3.064267731111669e+02, 2.350821647918067e+06, 9.508246552978742e+05, 6.958524865972861e+00, 5.952396482757237e+05, 7.071559565549956e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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