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=2.4699868235860203 stress="-43.289111276868226 6.114632791790196 15.037641271761785 6.114632791790196 -54.588746613138504 6.904822662923479 15.037641271761785 6.904822662923479 -46.781235248646325" pbc="F F F" Cu 0.06603388 0.00693356 0.16501753 -9.72548208 -9.08688011 -8.74524541 Zr 1.72580078 1.42866320 0.18883157 16.55075361 19.62037114 -23.63280986 Cu 1.49955875 0.04313966 1.44832183 13.82631725 -29.55325703 14.44916660 Zr 0.25980354 1.46667242 1.77143892 -20.65158878 19.01976599 17.92888866