# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed493550-2eb7-40b4-a79f-791d902d542d/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 ScGaO3 / P6_3cm (185) / materials id 769079](https://mdr.nims.go.jp/datasets/a3d59e39-902a-44e7-802b-7857787cc29e) ## Fulltext elements: [Sc, Ga, 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, 69.72, 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: [5.755111694650775e+02, 4.489447037030798e+01, 8.649794966878935e-02, -1.284501393231834e+02, -1.905884888264830e-02, 3.221235720461235e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.014771658623633e+05, 3.057739002378089e+06, 2.480982088538408e+04, -1.608326088400312e+06, -1.783920322335130e+02, 3.454534617011358e+01, -1.410382441656190e+02, 2.053453164278518e+03, 0.000000000000000e+00, -8.270561349832813e+03, 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