# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c0063e98-4e57-4f13-852b-24504fec0c31/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 DyHO2 / Pnma (62) / materials id 755659](https://mdr.nims.go.jp/datasets/b4981ab5-9287-4f6e-a597-5620d3687107) ## Fulltext elements: [Dy, H, O]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: [162.5, 1.008, 16.0]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: [5.743753833010315e+02, 2.690680432147684e+00, 2.484087432055580e+00, 5.599325233974368e+01, -1.280777933002414e+00, -3.446341765990407e+00, 0.000000000000000e+00, 3.913362169432479e+06, -2.420998354543083e+05, -2.415364833822637e+04, 6.593273372631458e+03, -1.599255172401135e+05, 1.334535474888203e+02, 1.733628948015864e+02, -1.173174027526102e+02, 1.385226881798256e+04, 2.566261756334193e+06, -1.225128743556817e+03, 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