# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/969acc68-cf82-474a-82de-93759666120f/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 KMgH3 / Pm-3m (221) / materials id 23737](https://mdr.nims.go.jp/datasets/0743a905-16f1-463c-9a45-a1a29cd63e5f) ## Fulltext elements: [H, Mg, K]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, 39.1]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: [3.736377688131665e-01, 5.276368988327957e-02, 1.171200102511282e-01, 3.830429026146874e+02, 8.010205023140342e+00, 7.442991315158326e+01, 2.808269691459204e+02, -7.493111184836696e+00, 7.408611332403652e+02, 1.619709428129571e+00, -2.073965339142737e+01, -2.763411552165270e+04, -4.238398927984179e+02, 2.256917926249964e+02, -2.548607589866137e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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