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=104.72042249058792 stress="-257.73418989588833 15.449814848601424 -25.871034079644147 15.449814848601424 -243.0479293590121 -4.420233828521333 -25.871034079644147 -4.420233828521333 -244.69204205841396" pbc="F F F" W 0.19178619 0.17895518 0.29140871 -100.59630769 -98.07612047 -143.95137558 W 1.61455359 1.53253581 0.14904689 66.99659760 87.83051331 -54.64543731 W 1.28091226 0.10609294 1.46603997 118.90485886 -92.51910562 122.20130127 W -0.19401975 1.32157598 1.51361598 -85.30514877 102.76471277 76.39551163