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=98.44165192762131 stress="-31.041823546150248 1.9037909338077907 -27.63237260839365 1.9037909338077907 -4.3717921825387895 0.8892097691071764 -27.63237260839365 0.8892097691071764 -43.148859624950376" pbc="T F F" S -0.19220747 0.05290266 0.18899850 111.65801342 -57.84758288 -117.88413333 S 1.77581000 1.72486873 0.04104332 -760.56118960 68.01560646 -868.78070674 S 1.57707747 0.18306987 1.46537236 -125.90544787 -14.01704752 99.72607623 S -0.22326121 1.64893408 1.21408713 774.80862404 3.84902395 886.93876384