# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dc846b8b-ef20-4f16-a23d-5a0f1e276ea6/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 / Cmcm (63) / materials id 755537](https://mdr.nims.go.jp/datasets/a7435133-ed2c-4190-b81b-3eb0d25a175b) ## 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: [9.400960364651794e+02, 1.404904229054747e+02, 1.088244340380989e+00, -3.708196972043276e+05, 6.306280992799034e-01, 7.426374032972057e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.209562890622628e+04, 0.000000000000000e+00, 9.186559522419273e+03, 0.000000000000000e+00, 5.180520324794335e+04, -1.018417736749371e+02, 6.431204511355859e+02, 4.970288332928140e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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