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=-1.5236953418763697 stress="3.124389395309236 0.3243096305209169 0.4256697894969117 0.3243096305209169 2.8252508976003874 -0.31338306814345196 0.4256697894969117 -0.31338306814345196 2.783315572171004" pbc="F F F" F 0.26357470 0.28457744 0.14604221 1.94866638 0.99077608 1.36314436 F 1.53434906 1.30493782 0.10807227 -1.38526132 -1.39598845 1.01948683 F 1.41512834 0.02416735 1.22140470 -1.18128660 1.25444777 -1.49930105 F 0.25755422 1.54944316 1.42791129 0.61788154 -0.84923540 -0.88333015