# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4adaa61e-c497-49a6-97ce-99eca274c7a9/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 BaSi2 / Pnma (62) / materials id 1477](https://mdr.nims.go.jp/datasets/ec89065d-9c9a-4659-b699-f6e3cc377c39) ## Fulltext elements: [Si, 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: [28.09, 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: 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: [9.563864266217935e-01, 1.954969211207033e+02, -1.579620391821078e+06, 6.014778231234031e+01, -3.942698557632189e+04, 4.751701476316699e+07, 0.000000000000000e+00, 0.000000000000000e+00, 9.849164049477121e+00, -1.436634151686987e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.454498846986612e+02, 8.383275188467145e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.363100268252856e+01, -8.281505077460178e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.357735931938894e+02, 1.074481210351260e+06, -3.883171009493807e+07, 0.000000000000000e+00, 0.000000000000000e+00, -7.742203339548030e+01, 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