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=47.765779835285784 stress="-4.934402811768871 0.3332206412937127 -0.8886471140339566 0.3332206412937127 -3.1949077324883866 0.06119466233946856 -0.8886471140339566 0.06119466233946856 -4.819843202257856" pbc="T F T" Zr -0.29703668 0.22083292 -0.21015034 27.41148225 -35.48068325 31.96483247 Zr 1.45167428 1.42299150 -0.09301634 3.95192316 33.47515233 26.45843786 Zr 1.68107110 0.13102478 1.59995250 -19.36808941 -31.45073257 -30.39370840 Zr 0.26120756 1.51193751 1.75226748 -11.99531600 33.45626350 -28.02956193