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=65.63777308894119 stress="-23.633205528862323 -1.369923492752004 0.9650145008129362 -1.369923492752004 -4.7426274864079305 -2.582010635583879 0.9650145008129362 -2.582010635583879 -4.7389283625999115" free_energy=65.63777308894119 pbc="T F F" Mo 0.27219963 0.13132919 0.25978669 15.40986083 -59.32684660 -61.73385734 Mo 1.40782840 1.28504734 0.18365717 13.78352256 18.56964286 -31.17771376 Mo 1.70288723 0.08343331 1.29585403 -41.21613258 -25.55005806 25.65423813 Mo -0.05190546 1.72094491 1.73171545 12.02274919 66.30726180 67.25733297