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=2.816911969933593 stress="-8.772130147781127 1.5243691827896992 0.04832052491672556 1.5243691827896992 -9.720035834498576 -0.45621124879951314 0.04832052491672556 -0.45621124879951314 -8.993979005480268" pbc="F F F" Mg -0.12320595 -0.04105180 0.20259391 -3.08966907 -2.51411873 -2.19904257 Mg 1.56504129 1.20865944 -0.13449789 2.61558740 1.69046699 -3.19297101 Mg 1.28802619 0.22277084 1.68584377 3.81285298 -4.19325228 3.33914973 Mg 0.18362810 1.69581920 1.64685009 -3.33877131 5.01690401 2.05286385