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=-5.402013223854966 stress="-3.2733688086291033 0.6104547182242004 -0.758651280739802 0.6104547182242004 -3.2827980420736123 -0.5540097184084288 -0.758651280739802 -0.5540097184084288 -3.6891473043959913" pbc="T T T" Mo -0.14459490 0.11115480 0.11044915 26.35520221 -38.84872860 -13.40742996 Mo 1.70960170 1.31143450 0.04092907 -45.18330823 32.14377711 -17.45804715 Mo 1.35333724 0.05786860 1.64041416 -7.93825433 -17.77931288 -2.58091555 Mo -0.22187219 1.37281364 1.32834452 26.76636035 24.48426437 33.44639265