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=5.00039958077 stress="-4.3486459101059785 -0.2945496414076362 0.5764402057015207 -0.2945496414076362 -4.433812306625654 -0.33840341936130464 0.5764402057015207 -0.33840341936130464 -4.690830307962804" pbc="F F F"
Ti      -0.23283931       0.19410236      -0.16903503      -9.47630051      -7.54978174      -5.71675712 
Ti       1.38201197       1.43300593      -0.27997518      11.60080909       4.69674991     -10.26367679 
Ti       1.27696427      -0.08338442       1.46512192       5.01443850      -6.97685689       5.89028764 
Ti       0.22586561       1.79391194       1.22614529      -7.13894708       9.82988872      10.09014628