# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f27589d8-f7b6-4e4d-b882-54cb06e64188/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 SrCN2 / R-3m (166) / materials id 12317](https://mdr.nims.go.jp/datasets/d436a5b1-c83b-41a0-9c28-3ff899ef4d36) ## Fulltext elements: [C, N, Sr]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: [12.01, 14.01, 87.62]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: [-3.312585487626222e+03, -5.888056174685948e-04, -8.631867598030341e+01, -8.716635498695084e-02, 8.785403865977454e-01, -1.094055993755536e+03, 0.000000000000000e+00, -6.230538012579406e+04, 0.000000000000000e+00, 3.007628890090254e-01, -1.292428670124251e+03, 2.515745818476106e+00, 5.771341567763262e+02, 0.000000000000000e+00, 2.620883671911150e+03, 0.000000000000000e+00, -6.310081842277079e+02, 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