# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d53d7e96-d0cd-44a9-b0a7-803b5ee97b66/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 Na4B2O5 / C2/c (15) / materials id 27564](https://mdr.nims.go.jp/datasets/8f575f56-5e31-4a5e-b37d-806b82df73c3) ## Fulltext elements: [B, O, Na]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, 22.99]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: [2.063661350420667e+00, -3.535209377197638e-01, 6.333334714229431e+00, 2.027250001804897e+00, 7.091742415420209e-01, 6.326895138070828e+00, -1.471222812063279e+03, 8.905827387199443e+01, 5.497674166149287e+03, 1.347992320288927e-01, 3.114184698513067e+02, 6.620062921977006e+01, -6.835967635300841e+01, 6.557706967971577e+04, -4.870916439051249e+03, 9.672176447263068e+04, -2.379365069940291e+02, 2.382371439887598e+03, 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