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=-3.749986211749574 stress="-36.154891923399234 2.0973724621443184 -6.475555845857507 2.0973724621443184 -45.63207402139693 -13.831200904763307 -6.475555845857507 -13.831200904763307 -43.1611614151178" pbc="F F F" Re -0.14459490 0.11115480 0.11044915 -14.34366519 -22.36750825 -24.73807769 Re 1.70960170 1.31143450 -0.16166483 9.89541918 7.05816300 -5.98133717 Re 1.28829595 -0.16490224 1.64041416 12.01891844 -9.27150387 13.20385676 Re -0.22187219 1.51878885 1.32834452 -7.57067243 24.58084912 17.51555810