# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c3cd782e-44aa-468a-88f5-5153d37f7ec2/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 PrRhO3 / Pnma (62) / materials id 4789](https://mdr.nims.go.jp/datasets/9ed038ad-6fcb-42c7-b2d5-25749bb4ebaf) ## Fulltext elements: [O, Rh, 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, 102.9, 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: [1.968283607577068e+00, 1.766897481102854e-01, 5.451809224863219e-01, -6.328812813838539e+03, 4.081761414574722e+00, 2.816032819457516e+01, 2.077822228056367e+03, 9.169939658736484e+01, -9.460207643843701e+02, 9.653078648127508e+00, -1.153461900888220e+02, -6.660782088985426e+05, -4.213570396561424e+02, 2.333214047165587e+02, 3.156037066241313e+03, 1.059131969557216e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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