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=6.318936739775155 stress="-18.857081723916266 -2.7990956205221966 -0.944704714035856 -2.7990956205221966 -13.517812320639944 1.044785690883848 -0.944704714035856 1.044785690883848 -19.157067884201155" pbc="F F F" Na 0.27219963 -0.06618674 0.13132919 -7.80192140 -6.97390236 -5.20323120 Na 1.75978669 1.22592512 -0.21495266 5.47346553 6.51744399 -6.21097400 Na 1.68365717 0.20288723 1.58343331 6.26335166 -3.53783596 8.27479061 Na -0.20414597 1.44809454 1.72094491 -3.93489579 3.99429433 3.13941459