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=17.6338886185 stress="-16.16393164972003 -2.4145040182508457 -6.764131331225334 -2.4145040182508457 -15.328627398162913 2.6101115638797188 -6.764131331225334 2.6101115638797188 -18.920082755466304" pbc="F F F" Ti 0.29977655 0.18543805 -0.04539058 -42.15357096 -17.46783524 -44.32214561 Ti 1.57327937 1.69989723 0.12961200 20.98057184 31.80091591 -17.42343906 Ti 1.37425859 0.15720406 1.26564846 33.94158497 -24.31715698 51.33896732 Ti -0.11492400 1.79768454 1.48273691 -12.76858586 9.98407631 10.40661734