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=-4.248358247464587 stress="-77.24827816891907 11.531730733990274 -18.58792682920558 11.531730733990274 -118.60988483326359 -55.03856641449512 -18.58792682920558 -55.03856641449512 -110.33581642893921" pbc="F F F" W -0.14459490 0.11115480 0.11044915 -29.81531825 -63.60799240 -71.53879270 W 1.70960170 1.31143450 -0.16166483 18.08397024 11.14903506 -9.64752992 W 1.28829595 -0.16490224 1.64041416 29.54876850 -18.64053900 28.30824016 W -0.22187219 1.51878885 1.32834452 -17.81742049 71.09949634 52.87808245