# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9ca3dec7-3457-4af6-8128-f0a17c286192/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 Be2C / Fm-3m (225) / materials id 1569](https://mdr.nims.go.jp/datasets/920f528d-0b71-4b28-b4a7-159f4e73a64e) ## Fulltext elements: [Be, C]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, 12.01]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [4.870444217812482e-01, 1.389130069394667e-01, 2.121656663830603e+00, 1.149213858699571e+01, 1.512945883771086e+00, 8.174769468057161e-01, 4.712522478296353e+02, -3.859574691896321e+04, 2.486734863972570e+01, -1.624807471807837e+01, 9.759125060558791e+00, -8.178149144166404e+02, 7.166155466055117e+03, 9.839601619916783e+00, -7.853296294587011e+01, 7.131674870722149e+00, 3.164998516387626e+03, -1.348573368515804e+05, 9.418945692390528e+00, 9.613795409476902e+00, 4.801437279794421e+00, -3.050096628009599e+03, -1.524045794245233e+05, -7.402949459574396e+00, -7.697654506625676e-01, -3.467627621006588e+00, -2.542252960999694e+02, -7.161047387022371e+04, 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