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=133.84854523217356 stress="-13.625547154128636 -0.33436737117941573 0.37620807143439355 -0.33436737117941573 -11.896678682460584 -0.8378159210390079 0.37620807143439355 -0.8378159210390079 -16.194965647931994" free_energy=133.84854523217356 pbc="T F T" W 0.03848316 0.19178619 0.17895518 58.22238212 -117.86902980 -61.39053733 W 1.79140871 1.61455359 0.03253581 -83.33815961 108.21422086 -15.34466775 W 1.64904689 0.10609294 1.46603997 -81.63272027 -128.62273559 34.75303817 W -0.19401975 1.32157598 1.51361598 106.74849776 138.27754452 41.98216691