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=5.6184618805450866 stress="-1.8651677778273255 0.3415706266717663 -0.02099695127448231 0.3415706266717663 -2.3032868594303033 0.5396636634835004 -0.02099695127448231 0.5396636634835004 -2.167366493492309" free_energy=5.6184618805450866 pbc="F F T"
Ti       0.05835534       0.20070203       2.55841852     -16.92977778     -17.72285193       5.13012937 
Ti       1.40085166       1.49793547       0.39230098      16.08834661      20.24521449      -4.96831249 
Ti       1.51001192       0.10170120       1.37793365      19.08936110     -24.21613083       4.78903872 
Ti       0.00082602       1.74624097       1.64302402     -18.24792993      21.69376828      -4.95085559