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=-16.055469158187776 stress="0.30585866169799775 0.0026382645737577422 -0.10098084076406247 0.0026382645737577422 0.629562938745729 0.019241205522089615 -0.10098084076406247 0.019241205522089615 0.700672451622961" pbc="F T T" C 0.20288723 0.08343331 -0.20414597 3.27559360 1.62304089 -4.95504713 C 1.44809454 1.72094491 0.23171545 -2.81488245 4.95651985 1.10048944 C 1.68190327 -0.17816502 1.77429253 -3.08421716 -4.33203781 1.05506224 C 0.12990665 1.28220450 1.78278197 2.62350602 -2.24752293 2.79949546