# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e441bb90-b4e8-4bd6-9cbb-acbf4b69d361/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 Cs2MgH4 / I4/mmm (139) / materials id 23752](https://mdr.nims.go.jp/datasets/2a663953-0d47-4f1b-bb53-4313e4ddf54d) ## Fulltext elements: [H, Mg, Cs]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: [1.008, 24.31, 132.9]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: [2.773641669075828e-01, 1.121350250821690e-02, 9.610167963317028e-01, 9.260512148751426e+02, 8.685402613332475e-01, 1.444778708719751e+01, 5.943291127952328e+02, 8.180221413288896e+00, 1.742138294540088e+03, 7.075079659851818e-01, 8.802937402073287e+01, 0.000000000000000e+00, -9.906567721877466e+02, 1.595425804597340e+03, -7.818157174551504e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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