# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b487809c-fb16-4441-b73a-76da56115c87/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 ThBr4 / I4_1/a (88) / materials id 570229](https://mdr.nims.go.jp/datasets/21665b22-649b-4d96-b737-9762e97377b0) ## Fulltext elements: [Th, 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: [232.0, 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: [0.000000000000000e+00, 2.707228092033897e+01, 6.506413423663129e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.046376496814357e+05, 1.433236512342030e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.551150381587108e+05, 2.555932355393594e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.969279139035889e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.096507034497633e+03, 9.055313449611779e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.339455937002738e+05, -1.488468369616669e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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