# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b996b9e1-e3ec-42b3-bc3c-5299c940b33d/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 Mg2GeS4 / Pnma (62) / materials id 17441](https://mdr.nims.go.jp/datasets/99f36357-8750-4cad-9d9d-67e598e4c7f2) ## Fulltext elements: [Mg, S, Ge]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, 72.61]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: [-1.807126101198664e+03, 3.232470665441866e+00, 6.971783412210969e+01, -3.297659260861005e+02, 1.118290326675759e-01, -6.978647422864370e+05, 0.000000000000000e+00, 1.015143559222155e+07, 0.000000000000000e+00, -4.418729996711264e+02, 1.425420005649087e+05, -7.519551794271226e+05, -4.927262757490421e+03, 0.000000000000000e+00, 5.713757914314720e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.488558423807291e+05, 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