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=16.1237142617 stress="-4.3775174484967065 0.3015809952572222 0.07525330694209281 0.3015809952572222 -5.507358733924716 0.04836172106908313 0.07525330694209281 0.04836172106908313 -4.991280528701706" pbc="F F F" F 0.01821382 -0.29424575 -0.03036777 -7.52597508 -7.02671124 -7.68849265 F 1.65586213 1.40395547 -0.16773400 8.34799645 5.08171572 -9.52000499 F 1.23049600 0.12036030 1.45631248 9.27813596 -10.51506091 11.44555557 F 0.24843919 1.64432661 1.26023492 -10.10015733 12.46005643 5.76294206