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=26.17914215246327 stress="-1.573260305680502 0.033231962189900356 -0.025639035390130925 0.033231962189900356 -0.7504561830094161 0.05386037681674852 -0.025639035390130925 0.05386037681674852 -0.7292279197069094" pbc="T F F" Na -0.00548572 0.09073906 0.27219963 -1.03930856 -8.02893888 -8.04430560 Na 1.43381326 1.63132919 0.25978669 0.91983006 7.62078942 -6.90616164 Na 1.22592512 0.18365717 1.70288723 2.21033659 -7.21988813 7.94076826 Na 0.08343331 1.29585403 1.44809454 -2.09085809 7.62803759 7.00969897