# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ef2e84cc-a13a-4681-8ec9-ea5c6050b7ec/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 RbBiO2 / C2/c (15) / materials id 29521](https://mdr.nims.go.jp/datasets/cf4ebebc-20f8-4308-8220-6605d0b2554e) ## Fulltext elements: [O, Rb, Bi]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: [16.0, 85.47, 209.0]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: [3.987955549358378e-01, 3.967420986213475e+00, 2.285022016610320e-01, -4.928675534313843e+02, 3.403443002832797e+03, -5.130347017683967e+01, 2.245277889154292e+05, 9.978402582751615e+04, 4.953759918125761e+03, 6.293530589382190e+04, 2.237302359253345e+03, 0.000000000000000e+00, 0.000000000000000e+00, 9.613684842280531e+00, 3.097820622611810e+06, 2.540360019665080e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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