64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-134.75819504461114 stress="6.480848557173848e-05 -5.650286685461076e-05 -5.775743778483713e-05 -5.650286685461076e-05 1.0978839260266376e-05 2.7278515379522915e-05 -5.775743778483713e-05 2.7278515379522915e-05 -9.383113450402428e-05" free_energy=-134.75819504461114 pbc="F F F" Al 34.81770602 35.11135441 35.49888302 -1.89978642 -2.06637958 -2.10282120 Al 35.88554225 36.74685027 36.44619080 0.70278429 7.79323697 -1.98551081 O 37.17549986 36.99374166 35.09877031 -1.96828488 -1.44895017 2.36627157 O 38.30747661 39.14525894 36.29506684 -0.34967251 -2.24130979 -0.33825032 Al 36.65488617 35.09618064 37.53117755 1.60653363 -2.81398871 2.74514973 Al 39.55398313 35.87489633 38.54195466 0.80917451 -5.30474115 3.10560575 O 34.98995997 37.60284801 37.67857095 2.72739964 -0.26575398 0.08963600 Al 36.60564770 38.91432631 38.26530835 -6.96870598 -2.87373056 -1.30772143 O 40.00256124 34.91557194 34.97304635 0.11580083 0.65877008 0.49163612 O 40.50890031 36.09783946 35.83306564 0.43998872 2.31423673 1.47290809 Al 42.32444440 37.14916948 34.82845499 -1.34321399 0.45226449 2.38944003 O 43.59491944 38.68732821 36.06643354 -1.04896969 -1.66874794 -0.20795633 O 42.47579451 34.66621294 37.03075125 0.35474715 1.69529885 0.99242915 Al 43.30670149 36.70683445 38.68224913 3.21245588 -1.46061135 -20.02888266 Al 39.62318784 37.44649718 37.20835245 1.49073138 4.94708875 -6.32839043 O 40.70612995 38.77751957 39.00087319 -0.41810032 -2.19989016 -0.45709757 O 34.59553962 39.40182092 34.95910747 1.49431380 0.89722882 0.98133823 Al 36.15019835 40.85070175 35.96576022 -3.74406488 -2.88095407 0.42932523 Al 37.16847990 42.76252358 35.25108204 0.15818372 1.67309760 -1.15085698 O 38.29922158 43.71135882 35.85296040 0.97974652 0.61933401 0.85333606 Al 37.99367705 40.01240128 37.55442959 4.04804653 -4.13030218 -4.91248860 Al 38.39294486 41.52923994 38.29339417 4.61997191 8.99455169 1.90880079 O 35.41233708 42.02688392 37.79518527 2.02027949 -2.09859525 -1.28605465 O 35.59597339 43.49398576 38.82350871 1.25282986 -0.65882310 0.30771481 O 40.30185272 39.22871281 35.20006482 0.11111669 -0.86536781 0.71448392 O 41.43395213 41.67312920 35.69069047 -2.80454439 -4.50289562 3.10416528 Al 42.20603072 42.75406269 35.07678781 -1.06227209 2.95101312 -6.71337713 Al 43.56283348 43.34160177 36.41230082 3.41236160 0.96678688 3.83954289 O 41.85779856 40.24379639 37.59677892 0.55676798 0.24742847 0.62135626 Al 43.17065497 40.56589411 38.77469746 -1.58596211 -0.21176673 -1.79389987 O 40.40827672 42.37311144 37.43894337 0.16782537 1.16974851 1.63157310 Al 41.25453629 43.92990875 38.37222588 -2.51159606 -0.09190202 -2.88074000 O 34.73865008 34.77098502 40.42236620 0.65972929 0.36618514 -0.20887495 O 35.92522458 36.28469850 41.33876309 1.94246795 2.57683368 1.51662838 Al 37.01331553 37.71092282 39.98918040 -3.56854758 -6.47623703 1.70557202 Al 38.42717606 38.99283296 40.77737440 5.00038477 -0.27919449 -0.02275512 Al 37.70181805 35.06013070 42.20352564 -6.07667915 -4.75714966 -6.44068579 Al 38.73023129 36.16452591 43.29167641 5.79068980 5.73996923 5.31624160 Al 34.77705715 37.80170100 42.52594550 -3.35722170 -3.30458025 -6.33056124 Al 35.89846397 38.19187944 44.07416640 3.74116149 0.96677454 5.37510721 O 39.98734592 34.67760347 39.98281273 0.36188963 3.74125897 0.05567178 Al 41.17466710 36.22597691 40.94409626 -5.11699261 -2.52424921 3.67420787 Al 42.99334471 36.76035949 40.21715574 -0.68497588 0.94966189 16.18475943 Al 43.73895935 39.03064440 40.81459044 -0.93334902 1.80983167 3.88592508 O 42.64533130 34.88768723 42.92898079 0.19050005 2.93458133 0.21841536 Al 43.08032687 36.58145562 43.87581252 -1.54757980 -1.19747001 -1.43456690 O 40.19701628 37.01993698 42.99903148 -0.14828847 -1.26484049 -1.91566454 O 40.95648791 39.24703292 43.36190104 -0.07546488 -0.29950525 -0.49958268 Al 34.67556673 40.10022228 40.20175571 0.35298344 1.97186412 -0.10069307 O 36.63267404 41.58920072 41.32942884 2.06909092 -2.63553779 -1.60914022 Al 37.93778783 42.68428983 40.03733810 -3.51760192 3.42541571 4.88231000 O 38.94768116 43.75384684 41.17966492 -3.83895623 3.44014204 -8.12514789 Al 37.37901003 39.89959451 42.41368242 -0.34550188 5.27112624 3.64624235 O 38.64518845 40.75498869 44.02148302 -0.95207709 -0.26902601 -2.13245686 O 34.68423785 43.23403994 42.30368557 0.10972145 -0.42443814 -0.27360979 O 36.21093582 43.87513564 43.01436945 0.53454708 -0.27389376 -0.25347526 O 39.52035043 40.09803598 40.37068810 -0.46049619 2.67114861 -1.03855745 O 41.49789948 41.35562370 41.54888207 -0.30506732 2.72664143 -0.82641408 Al 42.28071539 42.96561696 40.16217196 2.26299363 -1.59255864 4.55392828 O 43.93214370 43.65950300 40.95532629 -2.23417494 -0.90815092 -1.32539402 O 43.02961202 39.54939198 42.80936626 0.92696731 -1.45394399 -1.99593141 O 42.91638168 40.94163081 43.79295649 -0.67825232 0.90990592 -0.10549043 Al 39.52831572 42.84543225 42.07558670 3.52122874 -7.84585517 6.53829811 Al 41.20015216 43.16741732 43.93262430 1.80098523 -1.59008451 0.53502918