# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9764ea5b-c40a-4d2c-84ae-d4d098dcd551/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 Be4TeO7 / F-43m (216) / materials id 27608](https://mdr.nims.go.jp/datasets/d6e7ccd6-9c88-4922-9736-5d8e2701815b) ## Fulltext elements: [Be, O, Te]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, 127.6]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: [5.761043861413909e-01, 9.782685699545546e-03, 2.153049882148350e+00, 5.527851821796167e-01, 3.282207055714646e-02, 0.000000000000000e+00, 2.558871461827039e+02, 8.239966418095214e+00, -9.940192759637546e+03, 2.259774441276166e-01, 6.882054435535719e+02, 9.807685804400386e+00, -1.714715737235750e+00, 3.704079856459279e+04, 2.126530485903777e+02, 0.000000000000000e+00, -1.461952830858129e+02, 6.598559276944836e+01, 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