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=8.522673187118777 stress="-14.890745612353474 2.3007282733195344 -0.6970767044870332 2.3007282733195344 -16.006779993577325 0.19716853778384902 -0.6970767044870332 0.19716853778384902 -14.691227583977938" pbc="F F F" Na -0.12320595 -0.04105180 0.20259391 -5.51405048 -4.00666437 -3.61459339 Na 1.56504129 1.20865944 -0.13449789 4.22520634 3.20152279 -5.18291869 Na 1.28802619 0.22277084 1.68584377 6.66615732 -7.20096783 6.10988796 Na 0.18362810 1.69581920 1.64685009 -5.37731318 8.00610942 2.68762413