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=22.78586727187139 stress="-91.09694685188293 -3.162622849653097 -1.02537068386264 -3.162622849653097 -90.50343895517756 -5.1544624941613435 -1.02537068386264 -5.1544624941613435 -91.61191275938229" pbc="F F F" Zr 0.26959405 0.17626233 -0.14597521 -26.69898585 -35.18451417 -44.69138950 Zr 1.70996341 1.49207130 0.15300231 35.97622084 35.89654652 -20.99742013 Zr 1.53848316 -0.04225341 1.41852158 23.02063464 -30.85152383 32.73756320 Zr -0.04210664 1.38825682 1.27041603 -32.29786963 30.13949148 32.95124644