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=-2.4872820081570484 stress="6.070855781105724 1.4142937407031695 -0.08279547072215165 1.4142937407031695 4.25902240450575 -0.0038019973924214856 -0.08279547072215165 -0.0038019973924214856 4.31128040958756" pbc="F F F"
O      -0.20548610       0.27273937      -0.06557662       2.94512166       1.98058964       1.11722504 
O       1.47651687       1.23608891      -0.10214977      -2.90712038      -1.97974893       1.42265548 
O       1.56091265      -0.24050173       1.58132860      -0.72641749       1.18394523      -1.19491460 
O      -0.05721497       1.74488953       1.63806381       0.68841621      -1.18478595      -1.34496592