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=22.83927500598128 stress="-3.0252701766796575 0.25362639353694616 0.09205706961460065 0.25362639353694616 -2.3984182495620017 -0.05772997515661724 0.09205706961460065 -0.05772997515661724 -3.443866808629926" free_energy=22.83927500598128 pbc="T F T"
Ti       0.02103145       0.18220204       2.89362841      -4.35071618     -26.26098914       4.72508285 
Ti       1.73573857       1.52724172       2.77538150     -12.71030990      24.84873923       8.11483333 
Ti       1.20296332       0.22083292       1.47092075       9.08464450     -24.60777904      -5.46980191 
Ti       2.81560752       1.42299150       1.40698366       7.97638157      26.02002895      -7.37011427