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=100.15976198969562 stress="-9.732508053057707 2.4613646620732106 -0.21402016163031676 2.4613646620732106 -7.2914847210272 -0.034762168444704304 -0.21402016163031676 -0.034762168444704304 -5.368300981698893" free_energy=100.15976198969562 pbc="T F F"
O       2.63851635       0.09073906       0.27219963       0.43620604     -66.57655307     -63.02549732 
O       1.43381326       1.63132919       0.25978669       7.92895226      45.55111841     -48.26809033 
O       1.22592512       0.18365717       1.70288723      61.67176083     -91.13173757      52.88780071 
O       0.08343331       1.29585403       1.44809454     -70.03691913     112.15717223      58.40578693