32 Lattice="63.623334693908696 0.0 0.0 0.0 63.623334693908696 0.0 0.0 0.0 63.623334693908696" Properties=species:S:1:pos:R:3:forces:R:3 energy=-158.80351451015252 stress="8.936661346269251e-05 1.4526221970946948e-05 6.164954937120024e-06 1.4526221970946948e-05 0.00011411872254248557 -1.1816017021862606e-05 6.164954937120024e-06 -1.1816017021862606e-05 0.00010562097770972203" free_energy=-158.80351451015252 pbc="F F F" Zr 31.72904373 31.80994691 32.04656100 0.56443128 0.62167507 0.42828621 Zr 34.09227257 34.07104046 31.89641835 -0.28760816 -0.18141482 -0.92440605 Zr 33.98220734 31.57753723 34.08461765 0.47411908 0.72285207 0.34280620 Zr 32.01686816 34.20311598 33.96308674 -0.97468523 -0.86515368 0.56791971 Zr 36.44821508 32.11723010 31.69094110 -0.34739609 -0.42847909 0.21911528 Zr 38.67245915 34.01171166 31.68379644 -0.76324994 0.75449954 0.98973356 Zr 38.52213017 31.66359105 34.00933897 -0.89039201 1.22909859 0.37182872 Zr 36.12524475 34.03274657 33.87730780 1.29150623 -0.25167150 1.40094423 Zr 31.94074053 36.21080281 31.56371522 0.51809332 0.33152786 0.90789053 Zr 34.22085499 38.47366762 31.80203455 -0.70523588 0.10614794 0.64337195 Zr 34.01547358 36.27262437 34.22671755 0.81612232 1.42049480 -1.89659596 Zr 31.77914796 38.44694743 34.26571174 0.35455857 0.21526059 -1.18851596 Zr 36.16215850 36.51794322 31.65641891 0.99423106 -1.04826131 0.43363440 Zr 38.53012985 38.57262481 31.57835470 -0.71878142 -0.88893648 0.69472896 Zr 38.32647065 36.28670424 34.19727766 0.31957398 0.44798673 -0.71684732 Zr 36.54441260 38.87337983 33.85571705 -0.31103367 -0.65123203 0.83937785 Zr 31.82919355 31.62634531 36.50802629 0.39585829 0.85859219 -0.92497177 Zr 33.99528631 34.28037811 36.35398538 0.12013140 -1.89861835 0.67814751 Zr 33.89674722 31.56413678 38.50251405 0.46409420 0.96380769 -0.31830480 Zr 31.74753076 33.90880401 38.61791513 0.73226659 0.45254205 -0.73254951 Zr 36.29201750 31.73415373 36.50708383 0.26825037 0.74131000 -0.20074812 Zr 38.48533088 34.19311662 36.43948500 -0.55761005 -0.67883799 0.08026104 Zr 38.84612617 31.82161528 38.83867611 -1.41570891 1.29171960 -1.28090592 Zr 36.09109028 34.12056681 38.68875439 0.99481994 -0.32333795 -0.38919187 Zr 31.98149516 36.55497955 36.16387609 -1.25577351 -1.83967553 1.09865376 Zr 33.90251010 38.64537850 36.51240245 1.77397908 0.56944361 -0.66210961 Zr 33.98023916 36.25594773 38.85938261 0.32602237 0.36146170 -0.63691439 Zr 31.92922115 38.42189552 38.27814661 -0.47153099 0.11434191 0.73926615 Zr 36.12139418 36.46965860 36.15976842 1.09249943 0.36570939 1.57938199 Zr 38.73652169 38.81162427 36.60600504 -0.87947824 -1.18145794 -0.79428073 Zr 38.78298492 36.49341040 38.68951935 -1.25282821 -0.39228475 -1.01716819 Zr 36.52277228 38.73646320 38.52366870 -0.66924518 -0.93910991 -0.33183786