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=3.721728651513139 stress="-10.170445891741764 0.13136019193439652 -0.3391013086265291 0.13136019193439652 -9.30848751817245 0.19482469082025755 -0.3391013086265291 0.19482469082025755 -10.020404968547268" pbc="F F F" Mg -0.14801295 -0.02432459 0.06329927 -4.00782072 -2.83571738 -3.81233982 Mg 1.43745442 1.27846858 -0.00548572 2.97180884 3.51992552 -3.23159252 Mg 1.34126820 -0.15859300 1.31668137 3.79091218 -3.98594933 3.50678954 Mg -0.08013605 1.24396547 1.59073906 -2.75490030 3.30174119 3.53714280