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=26.631385888867673 stress="-1.6223466306751444 0.0743054437220424 0.48547949416622493 0.0743054437220424 -1.4137043766262058 0.28168821453083154 0.48547949416622493 0.28168821453083154 -2.47542294587422" pbc="F F T" Na 0.29874826 0.05835534 -0.25354363 -16.51555181 -14.50737833 8.57420977 Na 1.48193431 1.42001865 0.20070203 16.26309524 14.04334563 -7.78155080 Na 1.20342959 0.28187239 1.51001192 22.33838930 -16.81966408 -3.68250033 Na 0.10170120 1.37793365 1.21904386 -22.08593273 17.28369678 2.88984137