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=40.63463830309447 stress="-3.9940957570668907 -0.012871487575510966 0.09341938788173158 -0.012871487575510966 -4.101362901276355 -0.10381503325811589 0.09341938788173158 -0.10381503325811589 -3.352428198545517" free_energy=40.63463830309447 pbc="T T T" Mg 2.91812645 2.70122014 0.23212867 5.19708106 -5.59855453 -12.31672213 Mg 1.25294705 1.26067717 0.17871475 -3.26994237 2.41307207 -8.62436148 Mg 1.69104769 2.96850990 1.45283623 -12.14900452 -8.52339163 8.97246155 Mg 2.78353165 1.20072959 1.51229390 10.22186583 11.70887408 11.96862206