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=-0.3710564503657538 stress="-0.2378884115392297 0.03996811854221195 -0.030566882077922672 0.03996811854221195 -0.30412350086626466 -0.1054865837611474 -0.030566882077922672 -0.1054865837611474 -0.18186883662803185" pbc="F F T"
O       0.28187239       0.06281906      -0.01546661      -1.50911898      -1.15376822       1.42983828 
O       1.60170120       1.37793365      -0.28095614       2.59261323       4.22034279       4.22891335 
O       1.41416485       0.24624097       1.64302402       2.59672476      -5.83196110      -4.22146375 
O       0.26531642       1.41192869       1.51943933      -3.68021901       2.76538652      -1.43728788