# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/20a87b70-6526-4bd8-be37-94f2f9e85eb0/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 MgS / Fm-3m (225) / materials id 1315](https://mdr.nims.go.jp/datasets/728e872e-d860-4e3e-8194-83391a9dfa44) ## Fulltext elements: [Mg, S]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, 32.07]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: [1.009254092970927e+02, 6.732448328428930e-01, 1.104722540021714e+02, 0.000000000000000e+00, 7.666700825702625e+04, 1.982482119068897e+02, 3.097382356606745e+04, 0.000000000000000e+00, 0.000000000000000e+00, -6.791391319070966e+04, 2.523254668064723e+02, 1.562980620766205e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.599691209581125e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.263255867636363e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.189442129797043e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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