# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5161cc5b-538e-41c6-9692-cb6323fa6183/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 Y2HfO5 / C2/c (15) / materials id 753917](https://mdr.nims.go.jp/datasets/656c7aa1-40d4-4f91-bb4c-d9dca8ef5b30) ## Fulltext elements: [Y, Hf, 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: [88.91, 178.5, 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: [8.953970232984318e+01, 1.487429831284592e+02, 1.069273977635448e+00, 8.210077886510171e+03, -1.519344967396377e-01, 1.892251077826592e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.027576106198060e+04, 0.000000000000000e+00, -1.716573159256804e+05, 0.000000000000000e+00, 1.150018262199711e+05, 1.835832996088380e+02, -4.916789299494750e+02, 1.055861639767089e+04, 0.000000000000000e+00, 7.772870006769963e+06, 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