# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e49d0cf-7b10-4508-b956-2dde5298c1a7/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 Nd2Te4O11 / C2/c (15) / materials id 5121](https://mdr.nims.go.jp/datasets/af1e7dec-f3c6-475e-9e34-6b9bd9dbe1bc) ## Fulltext elements: [O, Te, Nd]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, 127.6, 144.2]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: [1.248777407589121e+01, -3.846584892760473e-01, 7.478442192038566e+00, -3.999356605347919e+03, 4.818617035974117e+03, 3.979625118523764e+04, 5.259517655775695e+04, 5.306489006956926e+03, 5.984119572502553e+04, 5.102937439608394e+01, -2.754604268099489e+03, 4.751205494446374e+05, 5.845734363525527e+04, 9.271946345657509e+02, 3.119343542828138e+06, 3.315530289520839e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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