# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e863431f-78a9-452e-9248-da5107f61add/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 ScAgO2 / R-3m (166) / materials id 973185](https://mdr.nims.go.jp/datasets/b92b3884-e04d-4729-ab77-8aa6f7c21506) ## Fulltext elements: [Sc, Ag, 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: [44.96, 107.9, 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: [1.863917871504232e+01, -1.155460891292648e+01, 3.452081347596311e-02, -2.527547760618745e+00, 7.739963166499486e-02, 6.337758929713119e-01, -5.302982760798567e+05, 0.000000000000000e+00, -5.560479001822093e+02, 0.000000000000000e+00, 3.784640390565722e+04, 0.000000000000000e+00, -2.235451422503855e+04, 4.062326634053298e+00, -1.309720808242481e+01, 5.739623081123276e+01, -1.400691812565836e+05, 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