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=3.305483905083913 stress="-12.658502196262921 -0.8040536223350353 0.9938580683290299 -0.8040536223350353 -11.674117799418696 0.17066239494769686 0.9938580683290299 0.17066239494769686 -12.091566774158867" pbc="F F F" Mg -0.17769156 -0.08950840 -0.27713580 -3.61845590 -3.73165710 -3.15273800 Mg 1.43858073 1.25205420 0.15488783 5.66490984 4.65744664 -4.30476246 Mg 1.55988540 -0.29754255 1.66431082 1.99698269 -3.85597709 3.45082184 Mg -0.18574270 1.48844065 1.53277713 -4.04343663 2.93018754 4.00667861