# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/45cf07d6-b5f2-410e-8347-796809a3b291/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 BaH8O5 / Pnma (62) / materials id 28587](https://mdr.nims.go.jp/datasets/689cd44e-e760-4ce5-8e70-b4267adcb5ca) ## Fulltext elements: [H, O, 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: [1.008, 16.0, 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: [-1.714162736684956e+00, -3.697315952672004e+00, -8.006967002339651e+01, -9.594686323802105e+00, -1.691540930867692e+01, -2.147297876613623e+05, 3.828540179529085e+00, -2.049691002234062e+01, 5.818727992072432e+03, -1.420847123829562e+01, 3.707637362826453e+02, 5.721321824092620e+02, 2.883675560802762e+03, 9.767804606032214e+04, 1.673064632068717e+05, 0.000000000000000e+00, -1.756963406739218e+04, 4.712980425929136e+04, 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