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=0.386767367623 stress="-4.157108949332404 0.6812637478888462 0.012885515861685317 0.6812637478888462 -5.215298422200006 0.12003702065812812 0.012885515861685317 0.12003702065812812 -4.646640207153797" pbc="F F F" Ti 0.01821382 -0.29424575 -0.03036777 -6.69057107 -5.80773214 -7.15861853 Ti 1.65586213 1.40395547 -0.16773400 7.41831632 4.18146129 -8.82745748 Ti 1.23049600 0.12036030 1.45631248 9.64797161 -10.93454915 10.90503629 Ti 0.24843919 1.64432661 1.26023492 -10.37571687 12.56082000 5.08103973