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=137.1167619383046 stress="-15.033193274977451 1.7264778428691745 -1.1744888268297655 1.7264778428691745 -15.384826566706218 -2.1552712844908943 -1.1744888268297655 -2.1552712844908943 -17.90295884918568" pbc="T T T" W -0.14459490 0.11115480 0.11044915 64.57802117 -135.94143198 -40.92470365 W 1.70960170 1.31143450 -0.16166483 -103.11100718 109.39494982 19.78063976 W 1.28829595 0.03769167 1.64041416 -18.43026728 -84.93572740 -31.81593623 W -0.22187219 1.22744829 1.32834452 56.96325329 111.48220956 52.96000011