4 Lattice="3.25 0.0 0.0 0.0 3.25 0.0 0.0 0.0 3.25" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=20.159347783773374 pbc="T T F" Zr -0.12320595 -0.04105180 0.20259391 40 5.16953818 -8.78383702 -24.01441850 Zr 1.69004129 1.33365944 -0.13449789 40 -7.98740793 15.78567841 -24.47310853 Zr 1.41302619 0.22277084 1.81084377 40 20.59613829 -4.41923118 25.73766327 Zr 0.18362810 1.82081920 1.77185009 40 -17.77826854 -2.58261021 22.74986376