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=26.184953822884808 stress="-1.5734271823107282 0.033230385220516016 -0.02563744527258685 0.033230385220516016 -0.7504566616011685 0.053860578734052 -0.02563744527258685 0.053860578734052 -0.72922838273867" pbc="T F F" Na -0.00548572 0.09073906 0.27219963 -1.03931442 -8.02894251 -8.04430889 Na 1.43381326 1.63132919 0.25978669 0.91986758 7.62079641 -6.90616747 Na 1.22592512 0.18365717 1.70288723 2.21031597 -7.21989371 7.94077497 Na 0.08343331 1.29585403 1.44809454 -2.09086913 7.62803981 7.00970139