# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e55771e3-bc4b-424e-8022-389d4859a51d/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 RhBr3 / C2/m (12) / materials id 27871](https://mdr.nims.go.jp/datasets/3210b792-3c3e-4ae2-88fc-0c24eca74b78) ## Fulltext elements: [Rh, Br]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: [102.9, 79.9]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: [-1.264497136279397e+03, 1.795514856791786e-01, 1.456631481589519e+02, 0.000000000000000e+00, -4.529333967086732e+06, -2.641488855065953e+02, -7.684609479073065e+05, -3.169115945200406e+07, 0.000000000000000e+00, -5.049628051464459e+07, 1.408690185111843e+03, 1.006380589664312e+06, 0.000000000000000e+00, 0.000000000000000e+00, -6.134213009989253e+05, 6.794741227168473e+03, -4.018080401453709e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.723145464099051e+07, -1.921084809763537e+03, -1.694693947705867e+05, 0.000000000000000e+00, 0.000000000000000e+00, -1.016213218803316e+04, 3.683558039754501e+01, -1.106336200874265e+06, 0.000000000000000e+00, 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