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=5.547236416122364 stress="-12.313006290443559 -0.6745597127432633 1.2805332693601086 -0.6745597127432633 -15.5950147718247 -4.668573857181947 1.2805332693601086 -4.668573857181947 -15.789270083428207" pbc="F F F" S -0.10028026 -0.12633864 -0.03902326 -3.15635157 -7.76198174 -7.22544720 S 1.28219307 1.71813893 -0.23283931 3.87506579 3.50310531 -4.00646121 S 1.69410236 -0.16903503 1.38201197 3.96330054 -2.44742515 2.20568566 S -0.06699407 1.22002482 1.27696427 -4.68201476 6.70630158 9.02622275