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=13.956420684912839 stress="-32.65318677337092 -0.006686723009417861 -1.6539909563441153 -0.006686723009417861 -35.25512551129526 1.0036656716902659 -1.6539909563441153 1.0036656716902659 -28.182302433178112" pbc="F F F" P 0.05988540 -0.29754255 0.16431082 -11.94760594 -11.72920353 -10.57633719 P 1.31425730 1.48844065 0.03277713 11.16573126 10.10627919 -11.26131796 P 1.39971974 -0.12633864 1.46097674 11.66245249 -7.55454140 13.50458168 P -0.21780693 1.71813893 1.26716069 -10.88057780 9.17746574 8.33307347