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=-8.89799958072 stress="1.405549248012157 0.10149747933431538 0.11330268862133872 0.10149747933431538 1.779527090616149 0.2206468093908668 0.11330268862133872 0.2206468093908668 1.9293954239306004" pbc="F F F" C -0.06254558 -0.22153142 -0.00548572 2.97995834 2.73320098 2.58308671 C 1.34126820 1.34140700 -0.18331863 -2.34747861 -1.96172176 2.55498722 C 1.41986395 -0.25603453 1.59073906 -2.51741479 2.22212391 -2.07586113 C 0.27219963 1.43381326 1.63132919 1.88493505 -2.99360314 -3.06221280