# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d9821e89-f7a8-4ee6-a262-56ab7487ed76/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 K4Be3O5 / C2/c (15) / materials id 28158](https://mdr.nims.go.jp/datasets/dffdd79d-d2eb-4465-b1d8-7046f977c8a8) ## Fulltext elements: [Be, O, K]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: [9.012, 16.0, 39.1]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: [4.477337767043052e-01, -2.669282694346818e-01, 5.746901414785080e+00, 2.299397568067573e+00, 3.154110938799553e-01, -3.660121200630803e+01, 3.405965642612722e+00, 7.313858160056538e+00, -2.542832303605916e+03, 1.651863926262336e+00, 2.042545182282375e+03, 1.609008932128506e+01, -1.769664921763665e+02, 6.504847082699110e+05, 7.433535770175395e+04, 7.468920349027633e+05, -1.606820299335826e+03, 5.941598279442946e+03, 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