# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/717cc4aa-ce7c-4be3-8fbc-7d48111cf532/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 Cu3SbSe3 / Pnma (62) / materials id 29476](https://mdr.nims.go.jp/datasets/dcbcb9af-1bb3-47eb-aee7-5caee9567c00) ## Fulltext elements: [Cu, Se, Sb]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: [63.55, 78.96, 121.8]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: [1.335976726750119e-01, -8.807375903799908e-02, 6.430260881140986e+00, -3.620324071769735e+01, 1.776796877262109e+00, 4.785106458935859e+04, -6.417386891340958e+02, 2.306526524018146e+02, 5.491627354811217e+04, 4.097356768508168e+02, 1.783824176845293e+04, 8.073246094238104e+03, -1.154575399870136e+02, -5.332390344968199e+04, 3.582478880424624e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.386282671135576e+06, 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