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=-5.44367889043 stress="-7.04140485627127 -1.289939341114595 -4.50272040877841 -1.289939341114595 -6.487525083131851 0.816223089604203 -4.50272040877841 0.816223089604203 -10.005670603118524" pbc="F F F" U 0.20070203 -0.29657041 -0.09914834 -24.32026838 -12.95270368 -26.56759102 U 1.35292440 1.78187239 0.01001192 4.46619198 18.28375729 -16.24820726 U 1.48453339 0.21212980 1.37793365 27.41355881 -8.82337314 38.21529150 U -0.28095614 1.71029726 1.60136948 -7.55948240 3.49231953 4.60050677