16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-63.97409557696539 pbc="F F F" Zr -0.19923419 -0.19767919 -0.16280457 40 0.74781210 0.45986855 0.60661520 Zr 1.77219963 1.43381326 1.63132919 40 -12.43077613 -4.59761395 -9.89979167 Zr 3.24172100 -0.07337285 0.06691972 40 -0.38112598 -2.19784669 -2.48307718 Zr 4.68365717 1.70288723 1.58343331 40 9.63859081 -3.33736453 0.85725681 Zr -0.19413405 2.93262793 0.22094491 40 -0.55421724 -0.37597646 -0.50672863 Zr 1.73171545 4.68190327 1.42353618 40 -2.37209779 2.90386985 -0.77382060 Zr 3.21219253 2.80278740 0.12990665 40 -2.96732058 2.64022654 -8.02012655 Zr 4.28220450 4.78278197 1.28114386 40 2.78424292 2.50784733 -0.24689874 Zr 0.13362859 -0.17297059 3.07117031 40 -1.35081628 -1.64260374 -0.22511890 Zr 1.79476570 1.69775901 4.41561068 40 -2.81850140 -3.14586283 7.40727064 Zr 3.13661615 -0.09519967 2.73218398 40 3.64893563 -8.33773263 3.76419052 Zr 4.29869006 1.72084736 4.26735611 40 5.81286785 -2.89636956 5.83764374 Zr -0.16466555 2.74148635 3.29558732 40 -3.50921880 0.78305189 -0.74777938 Zr 1.53369179 4.52598936 4.22329650 40 -1.18425835 2.52826928 1.90987474 Zr 2.96375436 2.90583543 2.75559716 40 3.52516441 13.51835994 1.75471748 Zr 4.20178472 4.65387677 4.27290972 40 1.41071884 1.18987701 0.76577252