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=-5.04027418448 stress="-10.130292895519943 -1.42047793293302 6.420648240909076 -1.42047793293302 -7.345633953512382 -1.3187536557560504 6.420648240909076 -1.3187536557560504 -11.712887095961134" pbc="F F F" U -0.07700850 -0.09301634 0.18107110 -8.16189740 -18.05357658 -10.37615456 U 1.32825321 1.63102478 0.09995250 31.25902175 11.73162569 -31.30832319 U 1.76120756 0.01193751 1.75226748 5.63716237 -5.17633463 4.79568006 U -0.03568003 1.54396501 1.57236142 -28.73428672 11.49828553 36.88879770