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=-2.569705542355255 stress="0.022226039831146755 0.002988040584262492 -0.06760168987396084 0.002988040584262492 -0.020770822588715855 -0.019499526433295604 -0.06760168987396084 -0.019499526433295604 -0.015758497873700348" free_energy=-2.569705542355255 pbc="F F T"
O       0.04376171       0.19273990       2.80722932       0.80213159      -0.77834393      -1.72440364 
O       1.26172667       1.55332204       2.88436473       0.48907082      -0.63985301      -0.22612577 
O       1.73110688       0.01283276       1.70071341      -0.67062620       0.34846552       1.19886689 
O       0.14720807       1.58942344       1.45706424      -0.62057620       1.06973142       0.75166251