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=25.76948794267768 stress="-112.422414315774 -10.598633062209583 -0.6356151993963444 -10.598633062209583 -89.28709021735041 -19.083661223046917 -0.6356151993963444 -19.083661223046917 -72.64050191716129" pbc="F F F"
Zr       0.18843096       0.17061300       0.29169807     -53.24345056     -56.62333307     -49.28877611 
Cu       1.46863002       1.44630638       0.03851086      41.42001512      32.12947974     -15.09377859 
Cu       1.64982991      -0.25204613       1.32929456      34.43882013     -11.12176021      24.57806840 
Zr      -0.21252151       1.39476746       1.37993804     -22.61538469      35.61561353      39.80448630