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=35.460037192838826 stress="-2.1812722523865884 0.15187609926972023 -0.06211481395605289 0.15187609926972023 -4.379303095446255 -0.9012833629469904 -0.06211481395605289 -0.9012833629469904 -2.4210592262049304" free_energy=35.460037192838826 pbc="F T F"
Ti       0.03851086       0.14982991       0.28095696     -26.59946378      -7.14522810     -30.83555151 
Ti       1.32464588       1.76008946       0.28460712      23.64362296     -16.71065747     -33.07855190 
Ti       1.25346517       2.76772449       1.27715687      24.89827123      13.63813219      34.44616800 
Ti       0.11893942       1.22956938       1.33885520     -21.94243041      10.21775338      29.46793542