# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/123aec36-30cb-4ba1-99ed-4c1d08ff3e56/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 NaReO4 / I4_1/a (88) / materials id 5558](https://mdr.nims.go.jp/datasets/fdb29ed4-7851-42e3-af38-8ab199cb3f94) ## Fulltext elements: [O, Na, Re]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, 22.99, 186.2]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: [3.264242693022856e+00, 2.625434547532823e-01, 8.440009077776879e-02, -5.512977631770168e+03, 2.743359062770631e+03, -8.315984904139616e+03, 6.840991501369797e+03, 1.544622349914205e+03, 2.348454357456169e+02, -1.087381679838520e+02, 1.444469137057723e+02, 0.000000000000000e+00, 4.410909724329232e+06, 3.346700000337500e+00, 1.765770009684332e+05, -1.895547590860744e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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