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=-5.419351962404699 stress="-0.03950692370481917 -0.08954286941363171 -0.04450034727653445 -0.08954286941363171 0.12189347100134686 0.14746488752585624 -0.04450034727653445 0.14746488752585624 0.1514564861169563" pbc="T F F" C -0.06254558 0.09073906 0.27219963 0.71242315 1.83693246 2.14323147 C 1.43381326 1.63132919 0.25978669 -2.51003593 1.86092772 1.70006169 C 1.22592512 0.18365717 1.70288723 -3.70281928 1.53003843 1.77040610 C 0.08343331 1.29585403 1.44809454 5.50043206 -5.22789860 -5.61369926