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=-10.833463551782625 stress="-22.537887398860867 5.936913043031537 2.6960697657029726 5.936913043031537 -25.341285053208455 -8.886869474835278 2.6960697657029726 -8.886869474835278 -25.08721324291236" pbc="F F F" Zr -0.27713580 -0.06141927 -0.24794580 -3.55602702 -8.62540748 -9.29750222 Zr 1.65488783 1.55988540 -0.29754255 5.58475195 2.51743743 -5.82679556 Zr 1.66431082 -0.18574270 1.48844065 7.58595599 -7.78016450 2.37458869 Zr 0.03277713 1.39971974 1.37366136 -9.61468092 13.88813456 12.74970909