# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d4b5dd3d-f3ef-4ec9-a388-b914f91ecb7b/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 SmBr3 / Cmcm (63) / materials id 27976](https://mdr.nims.go.jp/datasets/d5378718-c5a9-4f8c-9f65-8b687f30a6cf) ## Fulltext elements: [Br, Sm]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: [79.9, 150.4]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: [3.080696689790774e+02, 1.307290150479871e+01, -5.768650255986846e+04, 0.000000000000000e+00, -1.869918566983534e+06, -8.914832048014685e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.606108686731933e+06, 2.521326160209894e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.264717184063663e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.435589717806219e+07, 5.804332961953056e+06, -8.950616016725621e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.593317613267374e+06, 7.842620584594035e+04, 0.000000000000000e+00, 0.000000000000000e+00, -7.521934810179305e+06, 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