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=-9.711677517998268 stress="-17.757649481657115 0.06254038300407216 -8.817072579095964 0.06254038300407216 -6.816319136350004 0.21100826628459135 -8.817072579095964 0.21100826628459135 -10.32513479861643" pbc="F F F" Zr -0.18365652 -0.07465759 -0.01433724 -8.94528028 -2.05442507 -5.93372660 Cu 1.31443107 1.54376171 -0.27948471 1.40596112 2.39716896 -1.26700524 Zr 1.69273990 -0.19277068 1.26172667 8.45711145 -2.17911892 5.49508367 Cu 0.05332204 1.38436473 1.73110688 -0.91779229 1.83637504 1.70564817