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=-14.9140807621 stress="-2.4015452786982907 0.31870753627091936 -0.4402522114466204 0.31870753627091936 -2.372593286981091 -0.45017897383607497 -0.4402522114466204 -0.45017897383607497 -2.304293464679927" pbc="F F F" Mo -0.14459490 0.11115480 0.11044915 -5.20679127 -5.76743865 -7.28838275 Mo 1.70960170 1.31143450 -0.16166483 3.57468538 2.16449425 -2.11258531 Mo 1.28829595 -0.16490224 1.64041416 5.02327557 -3.71123332 4.78506579 Mo -0.22187219 1.51878885 1.32834452 -3.39116969 7.31417771 4.61590227