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=9.09691771085 stress="-2.990184963538906 -0.12090843278559749 -0.03976775836281441 -0.12090843278559749 -3.065833986979697 -0.08215254880654788 -0.03976775836281441 -0.08215254880654788 -3.024178027124118" pbc="F F F" F -0.03332758 0.27143892 -0.09704662 -6.43851773 -4.60581967 -6.98339325 F 1.60338854 1.74759167 0.11018303 6.61070366 5.58192910 -4.00013404 F 1.42518197 -0.25336477 1.48702489 4.53499086 -5.71940972 4.72626143 F -0.05142115 1.68843096 1.67061300 -4.70717679 4.74330030 6.25726587