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=-5.5832557358 stress="-4.962572390183096 -0.045875634175724135 -0.2200179672808357 -0.045875634175724135 -4.160346256574964 0.3521676393787594 -0.2200179672808357 0.3521676393787594 -5.111812904542135" pbc="F F F" Si 0.03369179 0.02598936 -0.27670350 -7.35729270 -5.49724360 -6.33290243 Si 1.46375436 1.40583543 -0.24440284 5.52625357 7.72201874 -6.35987355 Si 1.20178472 0.29874826 1.27290972 9.30383962 -8.47828128 9.02212576 Si -0.11909813 1.36136659 1.55835534 -7.47280050 6.25350615 3.67065022