16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-63.97409557696541 stress="-0.0008969228432781452 3.143274212656268e-05 -0.00016028227435054332 3.143274212656268e-05 -0.0009292282255722982 5.239873317672994e-05 -0.00016028227435054332 5.239873317672994e-05 -0.0008542805701521284" pbc="F F F" Zr 20.80076581 20.80232081 20.83719543 0.74781210 0.45986855 0.60661520 Zr 22.77219963 22.43381326 22.63132919 -12.43077613 -4.59761395 -9.89979167 Zr 24.24172100 20.92662715 21.06691972 -0.38112598 -2.19784669 -2.48307718 Zr 25.68365717 22.70288723 22.58343331 9.63859081 -3.33736453 0.85725681 Zr 20.80586595 23.93262793 21.22094491 -0.55421724 -0.37597646 -0.50672863 Zr 22.73171545 25.68190327 22.42353618 -2.37209779 2.90386985 -0.77382060 Zr 24.21219253 23.80278740 21.12990665 -2.96732058 2.64022654 -8.02012655 Zr 25.28220450 25.78278197 22.28114386 2.78424292 2.50784733 -0.24689874 Zr 21.13362859 20.82702941 24.07117031 -1.35081628 -1.64260374 -0.22511890 Zr 22.79476570 22.69775901 25.41561068 -2.81850140 -3.14586283 7.40727064 Zr 24.13661615 20.90480033 23.73218398 3.64893563 -8.33773263 3.76419052 Zr 25.29869006 22.72084736 25.26735611 5.81286785 -2.89636956 5.83764374 Zr 20.83533445 23.74148635 24.29558732 -3.50921880 0.78305189 -0.74777938 Zr 22.53369179 25.52598936 25.22329650 -1.18425835 2.52826928 1.90987474 Zr 23.96375436 23.90583543 23.75559716 3.52516441 13.51835994 1.75471748 Zr 25.20178472 25.65387677 25.27290972 1.41071884 1.18987701 0.76577252