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=-5.540478855673613 stress="-38.328306680216215 3.430096060102111 -7.747395031249852 3.430096060102111 -58.881924781852426 -25.370122441527858 -7.747395031249852 -25.370122441527858 -54.736347585182884" pbc="F F F" W -0.14459490 0.11115480 0.11044915 -15.09117182 -31.59956724 -34.23082086 W 1.70960170 1.31143450 -0.16166483 9.94814649 6.83413815 -5.76939338 W 1.28829595 -0.16490224 1.64041416 13.42891945 -9.39506430 14.26072495 W -0.22187219 1.51878885 1.32834452 -8.28589413 34.16049340 25.73948928