# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c16e4b1b-2d8c-436a-a47b-d879d984a387/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 Mg(SiB6)2 / Pnma (62) / materials id 567224](https://mdr.nims.go.jp/datasets/d4c96c91-a35e-4edf-81d6-1e458ee0ca00) ## Fulltext elements: [Mg, Si, B]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: [24.31, 28.09, 10.81]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: [-3.075327298329727e+04, 1.155972533507630e+00, 7.085642712331078e-01, -2.853764447384718e+03, 5.065435331663892e-01, 1.331044570019611e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.317755127831718e+02, -1.058741443848651e+02, 0.000000000000000e+00, 7.851500571231016e+01, -1.522592830330415e+02, -2.349623303202747e+02, 1.755621780326856e+01, 0.000000000000000e+00, 4.778466994885025e+04, 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