# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6da938cb-d785-464f-ac26-54cf9f226618/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 PrNbO4 / C2/c (15) / materials id 4709](https://mdr.nims.go.jp/datasets/312533be-4d73-4a5d-bc49-3a6d068f6b57) ## Fulltext elements: [O, Nb, Pr]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: [16.0, 92.91, 140.9]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: [1.255988863955909e+01, 2.705411970589991e-01, 6.040680113687107e-01, 2.678462774934142e+02, 7.859833017228992e+03, 5.646751318485715e+03, -6.947192559498967e+03, 1.731722537321696e+03, 9.719740328397587e+03, 2.342270399084706e+01, 1.767091121430342e+02, -2.126275143985484e+04, -2.289372314057538e+05, 8.003756345793263e+02, 5.287853742209064e+06, 6.779835824046847e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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