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=-3.11863899205 stress="-0.007493632752851773 0.49770311741727125 -0.037766146365965904 0.49770311741727125 0.1717882123740734 0.10646303987305561 -0.037766146365965904 0.10646303987305561 0.38425427690832187" pbc="F F F"
O      -0.29821528       0.29874826      -0.22709028       0.51378304       0.99432124       0.57144749 
O       1.38090187       1.36136659       0.05835534      -0.71656490      -0.90726282       0.39841098 
O       1.24645637      -0.01806569       1.41795412       1.08114405      -0.31724360      -0.03923726 
O       0.20070203       1.20342959       1.40085166      -0.87836219       0.23018518      -0.93062121