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=2.839124405914651 stress="-58.32146424092858 -4.788443650515083 -10.140861350362059 -4.788443650515083 -54.27785511370867 2.1920859738437173 -10.140861350362059 2.1920859738437173 -59.01387806530482" pbc="F F F" Zr 0.04396501 0.07236142 0.20379337 -26.87467007 -23.54423196 -20.83255282 Zr 1.73854596 1.26922180 -0.21770305 15.28085130 17.41976828 -18.99497284 Zr 1.52031036 0.18745344 1.52015752 20.92596566 -14.46101365 29.78865214 Zr -0.12029223 1.77711528 1.37871118 -9.33214689 20.58547733 10.03887353