# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1827abaa-cf25-4a7c-835b-ef16a40e1164/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 Li4H6Ru / R-3c (167) / materials id 642847](https://mdr.nims.go.jp/datasets/a2a7a46f-7783-4f31-8581-1030fb11327f) ## Fulltext elements: [Li, H, Ru]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: [6.941, 1.008, 101.1]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: [2.220284998974929e+00, 1.007752150677230e-01, 2.160175740586749e-01, 3.370165472335183e-02, 1.172348425409902e-02, 0.000000000000000e+00, 2.314910266356568e+04, -1.897378509885186e+01, 1.860426764809535e+03, 2.118986021390429e+00, -1.120786556524903e+01, 2.855123961364688e+00, -9.648655863378121e-01, 1.587664394384496e+02, 1.896692059669870e+00, 0.000000000000000e+00, 3.901861591308569e+00, 2.200040212405300e+00, 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