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=63.18537357450393 stress="-9.207756728789393 -0.36842472501848716 0.2777260567710711 -0.36842472501848716 -7.7589865406956235 -0.6615787507317918 0.2777260567710711 -0.6615787507317918 -10.813163768091158" pbc="T F T" W 0.03848316 0.19178619 0.17895518 41.23592075 -76.68458261 -44.30601156 W 1.79140871 1.61455359 0.03253581 -57.82200238 67.00746065 -11.15463573 W 1.64904689 0.10609294 1.46603997 -60.44999368 -84.92384402 23.79777741 W -0.19401975 1.32157598 1.51361598 77.03607531 94.60096598 31.66286989