# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/213327f3-2b6e-4b84-a43a-77cb1f21f101/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 CaSnO3 / R-3 (148) / materials id 4190](https://mdr.nims.go.jp/datasets/5215bb93-1bdf-4e78-9b22-6fd033476305) ## Fulltext elements: [O, Ca, Sn]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, 40.08, 118.7]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: [6.586135080409931e-03, -3.618138868899061e-02, 1.295147599485486e-01, 7.475174487417311e+01, 2.133614583581964e+01, 4.159123301296233e+01, 5.983213323733971e+03, 8.393523377642709e+03, -9.279246626604584e+00, 6.444308359893463e+01, -3.003972046002694e+02, -1.937584978964428e+03, 2.041082852341342e+04, 1.914300198785669e+01, -5.190036182874947e+03, 9.444589255449866e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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