4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=41022.44072146407 stress="-7162.830279578425 2850.807694526718 -919.7180880160433 2850.807694526718 -6882.428435397454 -1683.4867562366317 -919.7180880160433 -1683.4867562366317 -4507.629522284325" pbc="T F F"
Lu      -0.21174931       0.29103452       0.05514051   50278.31169638 -117731.07851295  -53393.19340028 
Lu       1.58597757       1.55604751       0.07552015  -69444.08760157   72901.42346462  -44805.33442470 
Lu       1.30272977       0.16646589       1.60155968    9987.90592647  -23806.32242808   19060.29773394 
Lu       0.04257931       1.61160724       1.23211785    9177.86997873   68635.97747641   79138.23009105