# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a52480ff-5eca-40fc-9f3b-b13ca31573d7/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 Cu2SO4 / Fddd (70) / materials id 28491](https://mdr.nims.go.jp/datasets/1da42b40-d88c-4588-83cf-9dbf37c745a6) ## Fulltext elements: [O, S, Cu]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, 32.07, 63.55]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: [6.390311894359535e-01, -7.953333352086124e-03, -7.936846282602300e-02, -2.399905625899533e+05, -7.168066776216959e+01, 1.653255048397188e+00, 4.324540781907582e+02, 2.120682257703994e+01, -7.188872994003503e+02, 6.528624692953047e-01, -1.659100556030314e+00, 0.000000000000000e+00, -2.921998845219985e+02, 3.140861359601480e+01, -2.763015568643644e+02, -2.960766841800622e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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