# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/90e56210-7610-4bac-bcbe-cdb0c4d5ebe7/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 Rb2PbO3 / Pnma (62) / materials id 21461](https://mdr.nims.go.jp/datasets/08a96326-9172-403b-bdd0-ae5ffd48ca19) ## Fulltext elements: [O, Rb, Pb]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, 207.2]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: [-5.434996483940578e+00, 3.653028881738010e+00, 6.165623124043060e-01, 3.946557623105824e+02, 4.231158796265411e+01, -8.808087076486532e+01, -1.417098307272446e+05, -2.498365158465518e+05, 2.752407711527186e+03, -1.361051181161268e+04, -6.674633242055881e+03, -5.633743134822816e+06, 0.000000000000000e+00, 4.058111039293748e+01, -4.913068912707574e+05, 3.057213883689564e+04, 0.000000000000000e+00, 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