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=-8.76378551772 stress="-3.912765795411048 -0.27294247006672895 -0.08418288866644738 -0.27294247006672895 -3.9062888556460407 0.10470750138952073 -0.08418288866644738 0.10470750138952073 -3.876109278789675" pbc="F F F" Zr 0.01104761 0.08563825 0.09473432 -7.09370827 -5.60768990 -5.87566867 Zr 1.51084883 1.42376632 0.14001466 6.83047989 6.36358122 -5.80445662 Zr 1.53490807 -0.17531167 1.54616062 4.51166986 -5.36347672 6.08889626 Zr -0.02498707 1.67630462 1.62141740 -4.24844148 4.60758541 5.59122903