# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dadfc68e-fe12-40c1-9c2f-affc7cbe7247/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 Cs3Cr2Br9 / P6_3/mmc (194) / materials id 23451](https://mdr.nims.go.jp/datasets/c3b34791-b43a-44ef-9f00-dc8e8aeca459) ## Fulltext elements: [Cr, Br, Cs]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: [52.0, 79.9, 132.9]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: [-6.241312326756974e-03, 2.721157579537690e-01, 9.207978496548132e+04, 2.908721256792390e+01, 1.836159351063402e+02, 0.000000000000000e+00, 6.934526666262324e+00, 2.539913866681577e+01, 0.000000000000000e+00, 1.330973236545803e+02, 0.000000000000000e+00, -5.164855614806163e+03, -2.069516291786583e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.329233397082998e+05, 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