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=14.3090237797 stress="-8.725739138582819 1.1138594424023056 -3.045361660916382 1.1138594424023056 -6.484675638746159 -1.2981098783473246 -3.045361660916382 -1.2981098783473246 -10.01905451080956" pbc="F F F" O 0.19178619 0.17895518 0.29140871 -15.28539842 -10.58760934 -24.94028724 O 1.61455359 1.53253581 0.14904689 5.17989452 6.39999346 -4.20070534 O 1.28091226 0.10609294 1.46603997 18.49801278 -7.73998527 18.95201540 O -0.19401975 1.32157598 1.51361598 -8.39250888 11.92760114 10.18897718