# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e896e609-53d1-4cdb-8ee2-82d4e7d451fd/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 Te2Mo / P6_3/mmc (194) / materials id 602](https://mdr.nims.go.jp/datasets/aa933806-5f44-4822-98e7-0b0cda8464da) ## Fulltext elements: [Mo, 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: [95.94, 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: [-1.036018686764608e+02, 1.796653278879301e+00, 1.014468694176282e+03, 0.000000000000000e+00, -6.814067488605351e+05, 1.344823101083686e+03, 8.460745574304415e+05, 0.000000000000000e+00, 0.000000000000000e+00, -7.356441196602792e+06, 7.470718541240609e+03, 2.987262382081756e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.643026030872179e+06, 5.065287341583575e+04, -3.171159169821483e+07, 0.000000000000000e+00, 0.000000000000000e+00, -2.447110522497560e+07, 5.326552424813573e+03, -7.247119545717606e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.091962943087776e+06, -8.465589176069916e+02, 8.597806884420122e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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