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=18.906187735041055 stress="-3.10536038828587 -0.021360024954990942 -0.028089779860813208 -0.021360024954990942 -4.87600605439506 0.031014558035864406 -0.028089779860813208 0.031014558035864406 -4.960721892459373" pbc="F T T" Mo 0.08215541 0.02006145 0.14117630 -29.69730299 -6.90897314 -1.05038298 Mo 1.51638857 1.31293252 -0.06316932 29.94601722 4.84504930 3.69178422 Mo 1.48048837 -0.09838774 1.60906946 29.56322473 -4.62829353 -3.25067853 Mo 0.09705118 1.30428926 1.53210701 -29.81193895 6.69221736 0.60927729