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=-3.93335074008 stress="0.9019979891103505 -0.32118681818551553 -0.003349366297394021 -0.32118681818551553 1.4199531544198676 0.41771194798133976 -0.003349366297394021 0.41771194798133976 1.46814745134851" pbc="F F F" O -0.14501107 0.11042859 0.20947124 0.88903864 2.31155183 3.16614384 O 1.35512851 1.55280714 -0.08666117 -0.58830461 -0.95417525 1.23877002 O 1.34655491 -0.12758765 1.32230844 -1.79158506 1.91013740 -1.11481907 O -0.08950840 1.22286420 1.43858073 1.49085103 -3.26751398 -3.29009479