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=10.8646348781 stress="-7.382434513123716 0.7433374913259536 -1.2994128243463077 0.7433374913259536 -7.583927098271641 -0.5040600677429936 -1.2994128243463077 -0.5040600677429936 -7.913096365245416" pbc="F F F"
Ti       0.02103145      -0.22238644       0.18220204     -14.24876737      -7.17481933     -16.19051380 
Ti       1.39362841       1.73573857       0.02724172       7.43953115       6.04449264      -8.73955783 
Ti       1.27538150      -0.29703668       1.34887301      17.57940165     -10.95663182      11.67766499 
Ti       0.22083292       1.28984966       1.48735431     -10.77016543      12.08695851      13.25240665