# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/832d0c41-f96f-4c6c-9050-356078281ba9/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 Er3B5O12 / Pmna (53) / materials id 560278](https://mdr.nims.go.jp/datasets/f4a86fbb-abfc-4bba-814c-7271635d2a8d) ## Fulltext elements: [Er, B, 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: [167.3, 10.81, 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: 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: [5.382263720303406e+01, 2.296861517839648e+00, 4.294598142730843e-01, 6.682267945243150e+00, -8.318599750914686e-02, 1.324349500070515e+00, 0.000000000000000e+00, -2.250420717115188e+05, -1.943812995001481e+03, -1.862884508177722e+04, 3.656321229740487e+03, -4.692829800949462e+04, 1.694892127154008e+02, 9.291490990415808e+01, -2.588811117341526e+01, 1.323139746209094e+03, -1.638776888739566e+03, 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