# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b7e5df7c-7f39-447c-88ca-d7bdc18116b7/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 Cd(SbO3)2 / P-31m (162) / materials id 8922](https://mdr.nims.go.jp/datasets/ef66a82e-a6b9-45e6-9c37-baa761d75b33) ## Fulltext elements: [O, Cd, 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: [16.0, 112.4, 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: [1.122659745347740e+00, 1.728278657486857e-01, 7.116742130316277e-02, 0.000000000000000e+00, 1.277877716845568e+02, 5.550299775093451e+00, 1.846581082739506e+03, 4.025501640475873e+02, 2.905638338432653e+01, 6.286150271314443e+01, -3.999090420119987e+01, 0.000000000000000e+00, 4.860085216762615e+05, 4.070264923657789e+00, -5.561768441023896e+05, 3.133903560428381e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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