# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/59b27352-5bbe-432f-b245-229402545c00/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 Ba(CuS)2 / Pnma (62) / materials id 5970](https://mdr.nims.go.jp/datasets/9adc03a0-c717-4cc9-9a9a-7511a056196d) ## Fulltext elements: [S, Cu, Ba]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: [32.07, 63.55, 137.3]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: [6.568697187094831e+02, -1.059954289563108e+00, 2.652133844636652e+01, 1.404671845505856e-01, 3.221694633430661e+01, 5.407596828830210e+03, 0.000000000000000e+00, -2.130408545648346e+05, 0.000000000000000e+00, 4.133382006851487e+02, -1.071581033598362e+04, 5.139945066048741e+02, 1.893629165425901e+04, 1.708651049726256e+04, -5.662891310363978e+06, 0.000000000000000e+00, 1.239399439376482e+03, 4.842985238072400e+05, 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