# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fed35173-3a84-4f6d-a145-b28ccfc88171/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 / Pnma (62) / materials id 772833](https://mdr.nims.go.jp/datasets/20a059c7-ee1f-4ad8-b9a2-99b3cdf21f59) ## 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: [5.354844018296383e+03, -9.665068616117232e+01, 1.732513641749764e+00, -3.593732261019946e+03, 5.165268606060439e-01, 8.745452760454333e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.926032724200138e+05, 0.000000000000000e+00, 2.942276551580177e+05, 0.000000000000000e+00, 1.904896188253630e+05, -3.075470234915318e+02, -7.900997221264015e+02, 9.957157921478087e+03, 0.000000000000000e+00, 4.483348727158485e+06, 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