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=13.899887859893084 stress="-72.6210174241487 11.559955019456108 -4.025920720521775 11.559955019456108 -78.02684650113812 1.6029706814102056 -4.025920720521775 1.6029706814102056 -71.2387604311867" pbc="F F F" Zr -0.12320595 -0.04105180 0.20259391 -26.93037243 -19.24218605 -17.58898812 Zr 1.56504129 1.20865944 -0.13449789 20.29413966 15.72408519 -25.07163542 Zr 1.28802619 0.22277084 1.68584377 32.88965307 -35.48138291 30.11894742 Zr 0.18362810 1.69581920 1.64685009 -26.25342030 38.99948377 12.54167612