# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5c3317d8-a3dc-422c-80eb-9f8664d0bcbb/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 Nd2TeO6 / P2_12_12_1 (19) / materials id 31318](https://mdr.nims.go.jp/datasets/ce3cf99a-c7eb-4b6c-a082-1462f01ecd2c) ## 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: [2.424233114196091e+00, 6.790807015639284e-01, 2.276268020641202e+00, 0.000000000000000e+00, -7.076905353204971e+02, -8.306579328152377e+03, -1.587465656148439e+04, 4.043752082874965e+03, -1.398027352774603e+04, 1.897834542060947e+01, -1.880889979242270e+02, 0.000000000000000e+00, 1.251876972432138e+05, -2.132079830030590e+02, -1.187197861397707e+06, 3.709417057029794e+07, 0.000000000000000e+00, 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