# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/268900b0-4e7e-43d8-8daf-630be67e4a37/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 GaCuO2 / R-3m (166) / materials id 4280](https://mdr.nims.go.jp/datasets/960e58e8-3db6-467b-98e2-0ded0da9fe02) ## Fulltext elements: [O, Cu, Ga]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, 63.55, 69.72]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: [6.319153152182364e-01, 3.789966159113652e-02, 1.036224302089327e-02, -1.297309029498834e+00, -9.641879295116569e+00, 4.517196904552464e+00, 4.687448040824503e+02, 8.185483409790369e+01, 2.190829854420375e+01, 4.494289582471660e+00, -2.960365334278932e+00, 8.659720818668740e+01, 5.433376213568675e+01, 9.641139170830163e-01, 1.210802343888549e+03, -8.483044883684005e+01, -1.343401220788387e+04, -3.966292141362060e+05, 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