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=-3.86673379109 stress="1.4843278557034965 -0.06817570477349069 0.29849474331095194 -0.06817570477349069 0.7297029595505957 0.04737401470780556 0.29849474331095194 0.04737401470780556 1.69171971706758" pbc="F F F"
O       0.02103145      -0.22238644       0.18220204       3.00962161       0.69422587       3.43660965 
O       1.39362841       1.73573857       0.02724172      -1.52707767      -0.58768587       1.90208945 
O       1.27538150      -0.29703668       1.34887301      -3.47235313       1.04879660      -2.61872753 
O       0.22083292       1.28984966       1.48735431       1.98980919      -1.15533660      -2.71997156