# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/66d86ddb-210a-4767-a7fa-54f9c6964a8a/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 SrLu2O4 / Cmcm (63) / materials id 756580](https://mdr.nims.go.jp/datasets/177e1887-b4a4-44ba-885b-fb055bd2fa98) ## Fulltext elements: [Sr, Lu, O]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: [87.62, 175.0, 16.0]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: [-9.248256721773237e+01, 3.909645102896170e+01, 5.812577333306170e-01, 2.603547463269534e+02, 3.107396257843315e-01, 5.486739913718683e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.200749626122191e+04, 0.000000000000000e+00, 2.892077023425266e+05, 0.000000000000000e+00, -1.662884958389929e+04, 1.969270193419795e+01, -5.933659963049291e+02, 8.823136094988912e+04, -2.625588464297757e+06, 1.773397721570560e+04, 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