# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/97600164-6f4f-4389-bc05-a2d8fa7bdd08/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 RbHO / P2_1 (4) / materials id 626721](https://mdr.nims.go.jp/datasets/6795cc0d-b7eb-4950-a9c7-89f111d89461) ## Fulltext elements: [Rb, H, 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: [85.47, 1.008, 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: [-6.190126417260250e+02, -4.911772685070789e+00, 4.013517752946905e+00, 2.051555525531399e+00, -1.818693520702540e+00, -2.914077845481958e+01, 0.000000000000000e+00, 3.270638107486418e+06, 0.000000000000000e+00, 1.698182258033521e+04, -1.640617810730020e+05, -1.416470942065051e+03, 1.035812646443617e+02, -4.474295905819198e+04, 4.219642840159858e+02, 8.479259542120939e+04, -1.472187750369276e+02, -1.377403449869289e+02, 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