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=-3.96088523457 stress="0.5207825973240159 -0.5589315879795946 -0.14285073673339965 -0.5589315879795946 1.1413727090072754 -0.8611111124732608 -0.14285073673339965 -0.8611111124732608 2.3372739868933428" pbc="F F F" C -0.25271761 -0.01806569 -0.07998135 -0.37074051 0.37632243 0.53162056 C 1.55569096 1.20342959 -0.09914834 -0.45940297 -2.57142276 6.77622516 C 1.60836406 0.28187239 1.51001192 -1.46284281 4.51353818 -5.86549668 C 0.19400463 1.60170120 1.23306216 2.29298629 -2.31843785 -1.44234904