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=-7.00753678744 stress="1.5781741407370498 0.026967980978220275 0.03201431777702732 0.026967980978220275 1.785025524810382 -0.35654473321146407 0.03201431777702732 -0.35654473321146407 1.4197762044245943" pbc="F F F" N 0.05280714 -0.08666117 -0.15344509 2.12487361 1.25208017 1.24096209 N 1.37241235 1.32230844 -0.08950840 -2.22264709 -2.06582996 1.97248853 N 1.22286420 -0.06141927 1.25205420 -1.78140146 2.39757434 -2.22173830 N 0.15488783 1.55988540 1.20245745 1.87917494 -1.58382455 -0.99171233