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=-6.24138418937 stress="-4.642922873746664 -0.707230232094965 0.1355445489424142 -0.707230232094965 -4.368552532314078 -0.07562890518388024 0.1355445489424142 -0.07562890518388024 -3.508208900034255" pbc="F F F" Zr 0.29104340 0.15849959 0.00719707 -9.82965548 -10.22251810 -6.92749416 Zr 1.60212729 1.37585447 0.03214723 11.02784276 9.59755810 -5.79065797 Zr 1.79464041 -0.22772735 1.45500586 4.40069672 -4.83700986 6.07350734 Zr -0.04150919 1.62865554 1.31391078 -5.59888400 5.46196986 6.64464479