# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f9b3bf19-0a73-4133-87f1-7b7b5fb6e0b9/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 Re3S4Br / P2_1/c (14) / materials id 652046](https://mdr.nims.go.jp/datasets/cf68a44f-fe19-42b8-b898-1ab6838bca78) ## Fulltext elements: [Re, S, 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: [186.2, 32.07, 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: 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: [1.300645759856144e+01, 1.916391422057908e+00, 8.356655522681543e-01, -1.188583668793728e+03, -1.317334328427601e+03, 2.427859483482103e+05, 9.759478249962005e+03, -1.231245265121870e+03, 8.258856700526837e+04, -2.118167366672198e+03, -2.886372973854224e+03, 5.424490262892453e+05, -8.600194229604162e+05, -3.499402017464598e+04, 6.229798052093149e+06, 0.000000000000000e+00, -2.484758629609605e+07, 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