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=-6.398501293636982 stress="-40.33988805962528 5.482282106605925 -8.580439401489468 5.482282106605925 -58.43216593345812 -24.882011591413608 -8.580439401489468 -24.882011591413608 -54.427376933637014" pbc="F F F" Mo -0.14459490 0.11115480 0.11044915 -15.33050153 -30.51810220 -34.20962261 Mo 1.70960170 1.31143450 -0.16166483 9.88353537 6.16169162 -5.52856429 Mo 1.28829595 -0.16490224 1.64041416 14.85582734 -9.94927135 14.50324837 Mo -0.22187219 1.51878885 1.32834452 -9.40886118 34.30568193 25.23493853