# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9e65d54a-c357-4453-9b14-b6691754c723/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 NbBO4 / I4_1/amd (141) / materials id 8615](https://mdr.nims.go.jp/datasets/572afebc-106c-4b3e-9992-fe3290fcdb8b) ## Fulltext elements: [B, O, Nb]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: [10.81, 16.0, 92.91]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: [2.935410814588960e+01, 4.396386609534161e-03, 3.271663858380654e+00, 5.464264876308973e-01, 7.716687016294858e-02, -2.701773018426228e+01, 0.000000000000000e+00, 6.867049225649403e+02, 0.000000000000000e+00, 1.706585363549545e-01, 5.331564444569907e+00, 7.635115179768705e+00, -3.036165996914779e+01, 7.973307064291706e+03, 2.518639146579673e+02, 0.000000000000000e+00, 2.862091185342971e+00, 9.408020396162142e+01, 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