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=4.49067304703 stress="-4.7997034181657945 -0.45010311803059067 -0.36696176453630647 -0.45010311803059067 -4.527405526220477 0.6812625457792834 -0.36696176453630647 0.6812625457792834 -4.609360044362235" pbc="F F F"
Ti       0.15488783       0.05988540      -0.29754255      -9.30359112      -6.32761028      -7.31592624 
Ti       1.66431082       1.31425730      -0.01155935       8.44838587      11.29328917      -6.16741005 
Ti       1.53277713      -0.10028026       1.37366136       6.83875796     -10.06546980       8.72115702 
Ti      -0.03902326       1.28219307       1.71813893      -5.98355272       5.09979090       4.76217927