# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d8ba044c-b5d5-4639-9536-19ef6739ea48/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 MgTe2 / Pa-3 (205) / materials id 2604](https://mdr.nims.go.jp/datasets/a2daaaa8-eb5d-423c-bd6e-7a2f8318e3aa) ## Fulltext elements: [Mg, Te]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [0.000000000000000e+00, 1.561925829022064e+01, 7.204891059224003e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.112079510006929e+03, -3.098371777596566e+04, 9.365378843515422e+03, 0.000000000000000e+00, 0.000000000000000e+00, -8.868058613036628e+04, 3.188525912602790e+04, 1.893965174976612e+03, 0.000000000000000e+00, 0.000000000000000e+00, -6.991769811527914e+05, 6.379294610871769e+03, 3.835829222512030e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.429224188632026e+05, 2.951756895502600e+04, 2.346187348381144e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.772639058185268e+04, -1.385822338746196e+05, -1.724328891645332e+03, 0.000000000000000e+00, 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