# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2a1998fe-1b88-4966-9469-1ac18d5ee1f5/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 Mg2Te3O8 / C2/c (15) / materials id 769077](https://mdr.nims.go.jp/datasets/3d3f5b64-148f-4a6f-a0d1-61a9923c36b4) ## Fulltext elements: [Mg, Te, 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: [24.31, 127.6, 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: [-1.577375578167557e+02, 8.477643490252770e+01, -1.650724791302280e-02, 6.323759676931404e+02, -1.212880249217376e-01, 9.114251301764151e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.100238553219325e+05, 2.440538503935490e+06, 9.985663599687852e+03, 0.000000000000000e+00, 2.157501363455233e+04, 2.411558458605507e+01, -1.080747880063063e+02, 2.136467071055534e+03, 0.000000000000000e+00, 2.101317476884792e+05, 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