# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/807cdfea-77af-4324-a2d8-d0e52c0b714c/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 AuBr / P4_2/ncm (138) / materials id 505366](https://mdr.nims.go.jp/datasets/2540dd34-998f-46a1-935c-c1f895fe8359) ## Fulltext elements: [Au, Br]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: [197.0, 79.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [8.700025957144057e+00, 5.553387349956795e-01, 4.980271759140716e+02, 2.834332647257967e+04, -1.367177737938152e+04, 9.405174711410127e+02, 1.383022110145819e+06, 0.000000000000000e+00, -7.170630589200906e+04, -1.464776870458477e+05, -7.199678294340400e+02, -2.300238277523993e+06, 0.000000000000000e+00, -3.205399670410946e+03, 4.196241665875706e+04, 7.848857698001524e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.207193775059578e+03, 1.876657379093268e+04, -1.837628762926968e+03, 0.000000000000000e+00, 0.000000000000000e+00, -8.414439589582438e+03, -9.174103908438045e+03, -4.895751241028486e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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