# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/83aeea08-18ff-4d88-8cef-1c30e355c577/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 ZnGeO3 / R-3 (148) / materials id 8285](https://mdr.nims.go.jp/datasets/6ebdce92-3a88-4ee7-b826-6a0e176bcb2f) ## Fulltext elements: [O, Zn, Ge]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, 65.39, 72.61]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: [1.692344529501385e+00, 9.656100788896411e-02, -9.522028785789491e-02, 1.904451722469876e+01, 4.026027671996422e+00, 2.133347875205928e+01, 1.002884095536530e+03, 5.810795037509307e+02, 5.866502021582752e+01, 1.897125936104286e+01, -1.744363464039945e+02, 6.730456050839880e+02, -1.224160121275941e+03, 3.014464724422650e+00, -1.105793724814178e+03, -1.062684781359577e+03, 9.898843490440493e+04, -3.608281445239604e+05, 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