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=41.77207380825582 stress="-113.02194063232668 34.22744087967528 2.9347076794429796 34.22744087967528 -97.41103261219645 5.609531957412855 2.9347076794429796 5.609531957412855 -81.32025254065096" pbc="F F F" Mg 0.23171545 0.18190327 -0.17816502 -22.60479338 -20.47607938 -26.93170284 Mg 1.71219253 1.42485375 0.12990665 29.13164110 29.13946379 -23.95049246 Mg 1.28220450 0.28278197 1.56210000 60.29467883 -68.09955910 32.66159596 Mg 0.13362859 1.32702941 1.57034430 -66.82152654 59.43617469 18.22059935