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=-10.181553859721676 stress="-0.3830262353847885 0.003386456702991727 -0.043711896022661456 0.003386456702991727 -0.4255383602852546 0.008494678863064648 -0.043711896022661456 0.008494678863064648 -0.4308362533826469" free_energy=-10.181553859721676 pbc="T T T" Mo 2.85540510 0.11115480 0.11044915 1.42705015 1.04036726 1.98722708 Mo 1.70960170 1.31143450 2.83833517 1.27667858 -0.65342846 -2.03945197 Mo 1.28829595 2.83509776 1.64041416 -2.20491128 -2.01901988 1.93242302 Mo 2.77812781 1.51878885 1.32834452 -0.49881744 1.63208108 -1.88019813