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=-8.8980008281 stress="1.4055522046160878 0.10149613781555235 0.11330204179504372 0.10149613781555235 1.779530904945455 0.22064684692288644 0.11330204179504372 0.22064684692288644 1.9293967509728085" pbc="F F F" C -0.06254558 -0.22153142 -0.00548572 2.97996165 2.73320334 2.58308693 C 1.34126820 1.34140700 -0.18331863 -2.34748307 -1.96172397 2.55499035 C 1.41986395 -0.25603453 1.59073906 -2.51742139 2.22213199 -2.07586142 C 0.27219963 1.43381326 1.63132919 1.88494281 -2.99361136 -3.06221587