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=-10.7219994214 stress="0.6474640218145397 -0.38301595001897143 -0.39105727031654597 -0.38301595001897143 0.6851990709386304 0.019438586549733804 -0.39105727031654597 0.019438586549733804 0.6555907861704316" pbc="F F F" C 0.29140871 0.11455359 0.03253581 -0.20171639 0.35176921 0.56310504 C 1.64904689 1.28091226 0.10609294 -0.78360917 -0.40873315 1.18576204 C 1.46603997 -0.19401975 1.38487525 -0.70755665 1.35630422 -0.45929413 C 0.01361598 1.35198705 1.47567541 1.69288222 -1.29934027 -1.28957295