# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2da1be62-4fe0-4211-9b3b-be0613e315ee/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 DyNbO4 / C2/c (15) / materials id 556639](https://mdr.nims.go.jp/datasets/69f135ed-6b19-4c85-b13d-8a5c4d506c03) ## Fulltext elements: [Dy, Nb, 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: [162.5, 92.91, 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: [1.136480051646064e+04, 3.213561879453169e+03, 5.165191134344629e-02, 3.882376933743354e+02, 3.757403896123484e-01, 1.017062643044089e+01, 0.000000000000000e+00, 0.000000000000000e+00, -7.277929494889661e+04, 0.000000000000000e+00, 2.531194496300430e+06, 0.000000000000000e+00, 6.462470618880618e+05, 2.030033357865638e+02, 2.558418638286420e+02, 2.316214553280414e+03, 0.000000000000000e+00, 2.818306074117629e+03, 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