# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cdf37ef0-7132-44cc-be62-1b2bc3f6e4ec/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 Ta3Br7 / Cmce (64) / materials id 29412](https://mdr.nims.go.jp/datasets/898266d0-f5a7-4646-a437-169fe2f3646a) ## Fulltext elements: [Br, Ta]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, 180.9]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: [1.071426237005355e+03, 7.304139082139964e+00, 8.319816612307637e+00, 0.000000000000000e+00, 3.455952284089666e+06, -6.242425247447137e+03, -3.683248591998925e+04, 6.371635403551635e+03, 0.000000000000000e+00, -1.985272193169850e+06, 5.215233445480547e+04, -7.252807288408132e+04, -3.965504115335477e+03, 0.000000000000000e+00, 1.415471103875674e+06, 2.090017021583573e+03, 1.691263230114875e+05, 3.603088323584541e+05, 0.000000000000000e+00, -3.782062308408475e+06, -4.561767797757257e+04, 2.486800355247259e+05, 1.220628383418186e+06, 0.000000000000000e+00, 1.764263759082763e+06, -8.769469778394570e+03, -4.056064000458984e+05, -1.394708320197851e+03, 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