# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0f859101-9831-460c-b4d5-33b3766e7fc8/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 TlSbO3 / P-31c (163) / materials id 557787](https://mdr.nims.go.jp/datasets/03dafe4e-7d35-4950-b79b-9f760370cea5) ## Fulltext elements: [Tl, Sb, O]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: [204.4, 121.8, 16.0]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: [2.760572076693968e+01, -1.856329537474043e+03, 2.088750234477482e-01, 3.143705863690018e-01, 4.230711674872342e-02, 1.050792906857086e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.760616317594172e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.218587229896741e+04, 6.212909253856604e+02, 4.671511027462034e+01, 1.325980366970861e+04, -1.821931678936801e+06, 3.302721865994385e+03, 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