# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/19174673-c0a0-4efd-821f-3a278b72e3c6/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 Li2MgCl4 / Imma (74) / materials id 38684](https://mdr.nims.go.jp/datasets/6a4b923f-135d-4738-89db-10511de7edec) ## Fulltext elements: [Cl, Li, Mg]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: [35.45, 6.941, 24.31]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: [6.882597716535103e+01, 2.094409028094856e-01, 3.348437080853641e-02, 6.123327388385553e+02, 1.420221744335006e+02, -7.526463009731026e+01, 0.000000000000000e+00, -1.022967372480634e+03, 3.524187177899677e+03, 5.704045254110977e+01, -6.830161333616257e+02, -1.275994229318704e+05, -1.988698183695107e+05, 7.866402695094848e+01, 3.857087904985841e+05, 3.953662132655965e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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