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=-7.87814865079 stress="-3.4090177913565767 -0.23841558332704318 -0.36391001188937605 -0.23841558332704318 -4.144400145610657 0.24352415282985 -0.36391001188937605 0.24352415282985 -4.010296264631365" pbc="F F F" Zr 0.26295651 -0.12826718 -0.09992797 -7.75341313 -3.78665312 -7.78277952 Zr 1.66517249 1.47000955 0.23575666 6.62145198 7.50433760 -5.32617569 Zr 1.42387406 -0.26752314 1.37107909 6.23524925 -7.97391113 8.06739522 Zr 0.23909813 1.54722415 1.78473277 -5.10328809 4.25622665 5.04155999