# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/41fad744-22ba-48c5-aacd-f02d0ed1715e/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 BiI / C2/m (12) / materials id 568388](https://mdr.nims.go.jp/datasets/a4d785ae-2ee1-40ce-b69a-82515ca07385) ## Fulltext elements: [Bi, I]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: [209.0, 126.9]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: [-1.919644428376457e+00, 2.556862779531255e+02, 1.790607094390302e+04, -7.941915695898735e+04, -3.486152657683644e+06, -4.055772314815327e+06, 0.000000000000000e+00, 0.000000000000000e+00, 2.323457573120272e+06, 5.857829152629433e+07, 5.444338145484317e+06, 0.000000000000000e+00, 0.000000000000000e+00, -4.630185718647678e+06, -1.433644394003163e+06, -8.673977367766645e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.084323625929754e+06, 1.697933030801335e+07, -4.690563669461386e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.916283017587449e+05, 6.808403231151866e+04, 2.459863745891327e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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