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=-11.625360269079536 stress="0.8473811401885604 -0.38288365090432486 0.3177672008890077 -0.38288365090432486 0.3834766542315751 0.1369028929577537 0.3177672008890077 0.1369028929577537 0.5091827886267141" pbc="T T T" C -0.14459490 0.11115480 -0.01275680 -6.72795490 8.66896100 -2.60335661 C 1.70960170 1.31143450 0.04092907 16.98548403 -7.86583253 9.67499972 C 1.28829595 -0.09986095 1.64041416 -2.25740180 0.18986365 2.72574238 C -0.22187219 1.51878885 1.32834452 -8.00012733 -0.99299212 -9.79738549