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=4889.818578864244 stress="-15799.237937249254 3411.99921008398 2593.4961475126947 3411.99921008398 -24227.316162858107 -10820.272056957321 2593.4961475126947 -10820.272056957321 -21345.007393987784" pbc="F F F" Cm 0.05862329 -0.11016458 0.14738720 -680.43428515 -13429.22046501 -11673.63253445 Cm 1.44757922 1.70969760 0.04534316 3803.43029452 3314.07145032 -4827.32902588 Cm 1.67351842 0.27709955 1.62163756 5914.82712266 -4028.45846548 3411.08579272 Cm -0.04810765 1.28666719 1.35623082 -9037.82313202 14143.60748016 13089.87576760