# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/29a93c61-1b95-4078-bbce-09c4ebc47088/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 Ta2ZnO6 / Pbcn (60) / materials id 17765](https://mdr.nims.go.jp/datasets/9e916d4c-4bad-4f61-9e68-fdbdfaaf6947) ## Fulltext elements: [O, Zn, Ta]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, 65.39, 180.9]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: [8.185324409754518e+00, 2.453296795644248e-01, 7.809794384537211e-01, -3.389627338936704e+05, 3.715363167783572e+01, -9.498316072967789e+01, -1.054909908221177e+03, -3.617397952704269e+03, 1.161216781109541e+03, 1.094025029462208e-01, -2.500031853674402e+02, 0.000000000000000e+00, 2.454808930761269e+04, 6.390859554937239e+01, 4.488212882889994e+04, 1.373590357760100e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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