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=13.98201977073762 stress="-1.6075076792865528 0.29915483352519534 0.12546378015549975 0.29915483352519534 -1.834289511302935 -0.28384581269795184 0.12546378015549975 -0.28384581269795184 -1.345073688349399" free_energy=13.98201977073762 pbc="T F F"
O       2.93745442       0.09073906       0.27219963      -0.68758768     -24.89349687     -18.31094163 
O       1.43381326       1.63132919       0.25978669       5.61092021      15.41676829     -10.33392586 
O       1.44687004       0.18365717       1.70288723       9.69983646     -12.90630502       9.83295063 
O       0.08343331       1.29585403       1.44809454     -14.62316899      22.38303361      18.81191686