# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/01aeafcd-e80a-40c5-b110-ec839aa849d1/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 YScO3 / Pnma (62) / materials id 755165](https://mdr.nims.go.jp/datasets/0f97371c-452c-41ae-8464-7bd3692b3913) ## Fulltext elements: [Y, Sc, 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, 44.96, 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: [-2.201779123962992e+02, 3.750062531669592e+01, 1.763289668936568e-01, 1.424425635451059e+04, -5.436582602309564e-02, 1.161468432469285e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.460141020867995e+03, 7.620779225812922e+04, 1.981682995955947e+04, 0.000000000000000e+00, -7.188944453934681e+03, 1.145529189473070e+02, -1.264100516792472e+02, 1.893196065134800e+04, 0.000000000000000e+00, 6.259208825076470e+06, 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