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=21.67836570495792 stress="-3.773263222455089 -0.2072970372418743 -0.5596395921262742 -0.2072970372418743 -2.721531293614481 0.48892054391873757 -0.5596395921262742 0.48892054391873757 -3.921284175345678" pbc="T F T" Ti 0.29391194 0.02103145 -0.04131534 -17.30985141 -22.14965105 -14.35210349 Ti 1.68220204 1.39362841 0.23573857 -0.73239680 34.14010993 -30.53449602 Ti 1.35549493 0.22083292 1.28984966 15.54886843 -36.12741192 28.46422947 Ti -0.01264569 1.42299150 1.40698366 2.49337978 24.13695304 16.42237005