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=19.203211474029274 stress="-2.7172599168047054 -0.0043306189900954375 -0.3250828999909423 -0.0043306189900954375 -3.2543208070616476 -0.18827503113719718 -0.3250828999909423 -0.18827503113719718 -2.488094541444605" pbc="F T F" Ti 0.15720406 -0.23435154 0.29768454 -39.54040855 6.52785473 -27.45547392 Ti 1.48273691 1.36065667 0.17089611 18.09566638 -14.04756777 -29.57541819 Ti 1.47011124 -0.29779682 1.21755886 39.01834915 14.85955681 34.76165917 Ti 0.26235339 1.34838096 1.71005355 -17.57360698 -7.33984376 22.26923294