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=12.687380925109277 stress="-1.6918784323098115 -0.0949357416144195 0.11063403988225706 -0.0949357416144195 -1.6471578780792386 -0.06891379104738192 0.11063403988225706 -0.06891379104738192 -1.9111512063800846" free_energy=12.687380925109277 pbc="F F T"
Ti       0.04376171       0.19273990       2.80722932     -16.32172373     -19.51666445       4.97823167 
Ti       1.26172667       1.55332204       2.88436473      21.94805990      16.54421381       5.91922395 
Ti       1.73110688       0.01283276       1.70071341      12.33082378     -11.29775256      -5.72588630 
Ti       0.14720807       1.58942344       1.45706424     -17.95715995      14.27020320      -5.17156933