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=2.8165623413817458 stress="-10.063127060421722 1.5680615956495563 -0.019821649269549546 1.5680615956495563 -11.021908273577163 -0.42924504533647934 -0.019821649269549546 -0.42924504533647934 -10.376004668525471" pbc="F F F" Mg -0.12320595 -0.04105180 0.20259391 -3.61806830 -2.89593888 -2.53749489 Mg 1.56504129 1.20865944 -0.13449789 3.01712299 2.00341500 -3.68172221 Mg 1.28802619 0.22277084 1.68584377 4.33275562 -4.73033971 3.91816272 Mg 0.18362810 1.69581920 1.64685009 -3.73181031 5.62286359 2.30105438