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=15993.314684483197 stress="-75763.97033660904 -7760.871385440543 26069.05914994886 -7760.871385440543 -43538.34802357407 -4636.096500008965 26069.05914994886 -4636.096500008965 -76596.16769865397" pbc="F F F" Lr 0.33942182 0.39323735 0.05802619 -22753.62644758 -21560.80205931 -27382.71302014 Lr 1.40052296 1.72497816 0.17453382 52654.28807066 17801.40438181 -38517.97756395 Lr 1.31662692 0.19594814 1.41812598 16144.33186377 -10118.28986422 19401.39696442 Lr 0.25002835 1.67841270 1.23430148 -46044.99348684 13877.68754172 46499.29361966