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=21.859663652520407 stress="-5.076488708812788 -0.0008205469261493838 0.01822337862138614 -0.0008205469261493838 -3.18894881733511 0.06418990087662262 0.01822337862138614 0.06418990087662262 -5.084783594011775" pbc="T F T" Mo 0.04110826 0.02736750 -0.02919998 -7.49232635 -30.53326514 -5.82555366 Mo 1.42995632 1.45240017 0.08797165 3.58343362 32.15520842 -7.22641999 Mo 1.28579989 0.05520938 1.32412899 7.85648130 -32.27456020 6.81772432 Mo -0.05315510 1.37074318 1.41628623 -3.94758857 30.65261692 6.23424933