# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/746c53f5-311c-4cf2-b9f0-3a4662eaba39/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 Rb2O / Pnma (62) / materials id 755738](https://mdr.nims.go.jp/datasets/4e652cb0-9352-480a-b2ff-9fe648f9a5fe) ## Fulltext elements: [Rb, 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, 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: 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: [1.252775678010668e+02, 7.983008069010342e-01, -3.827680335876733e+05, 0.000000000000000e+00, -1.594705920819757e+06, -3.595145277545975e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.330753216003397e+06, 1.277871979266140e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.278946827739467e+06, -4.977113758200897e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.219788432506602e+06, 6.891536139409332e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.592852119535314e+06, 7.502203438002921e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.465124797846130e+07, 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