# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca7c0999-100e-41f0-9968-a6403a9ca311/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 TaCu3S4 / P-43m (215) / materials id 10748](https://mdr.nims.go.jp/datasets/be833725-b275-4f3f-9dca-640c9cded97f) ## Fulltext elements: [S, Cu, Ta]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: [32.07, 63.55, 180.9]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: [8.382058845348062e+01, 3.481017785900412e-02, 6.502402079427110e-02, -4.807997987809431e+01, 9.596653708696541e-01, 0.000000000000000e+00, 0.000000000000000e+00, 1.005302365672847e+02, 1.966205195122600e+04, 1.049823079272751e+01, 9.675392605286968e+00, -2.454894571982904e+04, 4.351844702219711e+02, 2.037108964906468e+01, 6.179434092212438e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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