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=40.94084315681691 stress="-2.474603799429015 -0.2678415064616563 -0.03568090175326255 -0.2678415064616563 -2.6737353332087723 -0.15090204433943685 -0.03568090175326255 -0.15090204433943685 -3.0331541442890746" free_energy=40.94084315681691 pbc="T T T"
O       2.85540510       0.11115480       0.11044915      -2.49169126       2.43678702      -4.40182581 
O       1.70960170       1.31143450       2.83833517      -2.61072117      -4.46465798       3.98835256 
O       1.28829595       2.83509776       1.64041416      -2.05070475       0.89117366      -3.25126696 
O       2.77812781       1.51878885       1.32834452       7.15311719       1.13669730       3.66474021