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=45.7120824646 stress="-17.668351090407693 -0.5445538520376106 -0.10552111510843734 -0.5445538520376106 -17.46725894111734 0.19156073001893917 -0.10552111510843734 0.19156073001893917 -12.376203406648202" pbc="F F F" Na -0.16815721 -0.08619946 0.23598149 -27.92549909 -17.34520951 -22.65718064 Na 1.69843311 1.70500540 0.07855587 25.62518061 13.97661709 -24.63774348 Na 1.20693653 0.14283106 1.31428451 29.18734189 -26.86018401 27.48663495 Na 0.26838441 1.78218414 1.23956860 -26.88702341 30.22877643 19.80828917