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=1.97626806212 stress="-3.4238540010194654 -0.2798373498168928 0.7707661609341059 -0.2798373498168928 -3.443222913627084 -0.28831568953246867 0.7707661609341059 -0.28831568953246867 -3.5833307310555074" pbc="F F F" Ti -0.07700850 -0.09301634 0.18107110 -4.44904271 -7.40391938 -4.71772240 Ti 1.32825321 1.63102478 0.09995250 7.46360121 5.53517249 -7.85829710 Ti 1.76120756 0.01193751 1.75226748 4.22048737 -3.55543763 3.60787437 Ti -0.03568003 1.54396501 1.57236142 -7.23504587 5.42418452 8.96814514