# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f5d9610f-93fd-4558-a13a-87575214bf72/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 Li3Sb / Fm-3m (225) / materials id 2074](https://mdr.nims.go.jp/datasets/0e959af3-9983-4dd1-918f-64376b85a558) ## Fulltext elements: [Li, Sb]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: [6.941, 121.8]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: [2.491245521015878e+00, 3.134885250325563e+00, 0.000000000000000e+00, 1.165588516130896e+03, 8.000573505013544e+02, 9.545364095275733e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.703526384089052e+03, 2.614145799714706e+04, -1.442035184388167e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.465177717828568e+04, -1.609665290327284e+04, 1.492718275256832e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.305736499943420e+02, 1.136639753837306e+03, -4.009053261314131e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.063300825429665e+03, 5.967949972477526e+02, -1.315710691311332e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.671787036626964e+03, 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