# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/50567bd1-cce0-46f7-86ea-e012041ccc45/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 RbN3 / P4/mmm (123) / materials id 581833](https://mdr.nims.go.jp/datasets/02729fb6-b4cc-455c-bd42-a2bb3a0ab887) ## Fulltext elements: [Rb, N]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: [85.47, 14.01]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [3.144635961367333e+02, -3.805604986825315e+01, -1.118776644184623e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.928542696297135e+04, 1.955806796787247e+04, -7.441009880350013e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.069851786764257e+05, 1.264124355716050e+05, -4.006572596958301e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.051615741951054e+07, 1.638831448507771e+04, -3.270210796649364e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.105311018280210e+06, -7.832362465822942e+03, -2.614851393670752e+01, 0.000000000000000e+00, 0.000000000000000e+00, -9.759926812633132e+05, 1.211281712955599e+05, 2.391448925697123e+00, 0.000000000000000e+00, 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