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=-11.1792450667 stress="-4.095057968796332 -1.350080264003859 -1.241581317503616 -1.350080264003859 -3.3165431912950663 1.0360939258923314 -1.241581317503616 1.0360939258923314 -5.171685241146601" pbc="F F F" W 0.27219963 -0.06618674 0.13132919 -13.44967461 -9.85987622 -7.93221606 W 1.75978669 1.22592512 -0.21495266 6.71487962 11.56580163 -10.03554985 W 1.68365717 0.20288723 1.58343331 8.90945562 -5.42276702 16.23207482 W -0.20414597 1.44809454 1.72094491 -2.17466063 3.71684161 1.73569109