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=120.9365553714093 stress="-10.615114699345012 2.501673406584794 -0.21850310773540615 2.501673406584794 -7.396338414457383 -0.03434268071486902 -0.21850310773540615 -0.03434268071486902 -5.438099152802078" free_energy=120.9365553714093 pbc="T F F"
O       2.63851635       0.09073906       0.27219963       0.41832839     -67.47881251     -63.84680046 
O       1.43381326       1.63132919       0.25978669       8.06772974      46.15646923     -48.88839950 
O       1.22592512       0.18365717       1.70288723      62.71153826     -92.51696303      53.60079729 
O       0.08343331       1.29585403       1.44809454     -71.19759639     113.83930631      59.13440267