108 Lattice="13.145417529555605 0.0 0.0 0.0 13.145417529555605 0.0 0.0 0.0 13.145417529555605" Properties=species:S:1:pos:R:3:forces:R:3 energy=-586.1840654233087 stress="-0.005199214033889822 0.00012981138612358698 -0.00039681046348825097 0.00012981138612358698 -0.005173213886808709 9.517329994573114e-06 -0.00039681046348825097 9.517329994573114e-06 -0.005381488175243903" free_energy=-586.1840654233087 pbc="F F F" Zr 0.00112858 0.01848498 0.01825702 1.09245382 1.10024294 1.09121427 Zr 2.20918612 2.21259972 0.04339127 -0.41603680 -0.40576881 -0.60905324 Zr 2.17797933 0.00805171 2.19840557 -0.23732462 -0.56157264 -0.32041489 Zr 0.02520656 2.20222425 2.22555427 -0.56566157 -0.26691187 -0.44837033 Zr 4.41671585 0.00225159 0.03583729 -0.17593787 0.41364330 0.46531246 Zr 6.54065524 2.19927235 0.03227182 0.15926762 -0.18538699 -0.64069857 Zr 6.64561917 0.02543530 2.18093652 -0.28326533 -0.54884273 -0.02685919 Zr 4.34777801 2.20321858 2.21021886 0.26509327 -0.28135053 -0.37445555 Zr 8.75248157 0.02777473 0.02234621 0.27052869 0.70516915 0.55122018 Zr 10.96673010 2.22329985 0.03054239 -0.65707126 -0.24545002 0.62640018 Zr 10.98243896 0.00608888 2.13341649 -0.90752583 0.85944829 0.10759910 Zr 8.75972695 2.21523266 2.22887298 0.33545599 -0.42878216 -0.48694653 Zr 0.01335562 4.41729900 0.03839781 0.31221939 -0.29878210 0.28310152 Zr 2.16290675 6.57095109 0.02421103 -0.17401668 0.21062989 -0.97053057 Zr 2.21465542 4.41997903 2.19824361 -0.34767872 -0.38434560 -0.19265104 Zr 0.01892812 6.53106739 2.20816630 -0.86031657 0.31918719 -0.24127540 Zr 4.35984291 4.41828804 0.00068024 0.01757607 -0.20421528 -0.80763156 Zr 6.58392056 6.61446672 0.01426375 0.02361768 -0.21149710 -0.88327701 Zr 6.53297559 4.40790229 2.15068198 0.30083061 -0.13574699 0.05272372 Zr 4.33917704 6.58126498 2.14724548 0.36484028 0.23030773 0.38689971 Zr 8.77346616 4.35470750 0.00396775 0.19027965 0.13795191 -0.51592065 Zr 10.98971386 6.61729679 0.02355017 -0.51537647 -0.11046870 0.47410393 Zr 10.92911119 4.38435790 2.19414887 0.67805680 0.08277179 -0.23990949 Zr 8.73912471 6.57732532 2.20680249 0.52987118 -0.02798921 -0.24593968 Zr 0.00048081 8.75247663 0.03124250 0.59267264 0.15726329 0.67001777 Zr 2.20714279 10.93115800 0.03243700 -0.23737857 -0.49557239 0.49467987 Zr 2.21710285 8.72509932 2.15419343 -0.64723164 0.66839552 0.11806069 Zr 0.03636660 10.97403126 2.18281578 0.72893460 -0.84026745 0.00418964 Zr 4.39361920 8.80507245 0.00126945 -0.25971664 -0.12741941 -0.90414639 Zr 6.53209038 10.92870917 0.00965305 0.34769435 -0.25946567 0.20202907 Zr 6.55278001 8.73725725 2.15155656 0.22076947 0.35610441 0.47900161 Zr 4.40450531 10.92209397 2.16174529 -0.17627861 0.76531877 0.18169906 Zr 8.78628362 8.72102791 0.00871866 0.25718137 0.56779415 -0.57866502 Zr 10.98550016 10.91084385 0.00967880 -1.05737549 -1.00991979 0.99247917 Zr 10.93667680 8.78912970 2.17511211 0.50449329 0.16243748 -0.13764134 Zr 8.74384647 10.96835678 2.14953079 0.35514853 0.28229569 -0.23813629 Zr 0.03452726 0.02052554 4.41175041 0.27641974 0.41616542 -0.15590009 Zr 2.22071091 2.23347299 4.34670098 -0.31662488 -0.20141737 0.34660257 Zr 2.18301395 0.01856190 6.52962351 -0.14969806 -0.61380084 0.21405607 Zr 0.01671177 2.20148602 6.61422971 -0.58812929 -0.16860647 -0.16642630 Zr 4.40502489 0.03199369 4.38425179 -0.12360075 -0.75746813 -0.31275975 Zr 6.52666339 2.26276018 4.38801893 0.32035825 -0.45784649 -0.21393861 Zr 6.53264874 0.03519433 6.56677138 0.29721638 -0.85920913 -0.01340476 Zr 4.34742380 2.16262260 6.59558892 0.03378304 0.53153279 -0.23382915 Zr 8.74156239 0.01818143 4.40029396 0.43077569 -0.45899394 -0.13320877 Zr 10.93590743 2.21557391 4.39637989 0.53573985 -0.42444250 -0.06050397 Zr 10.95041807 0.03752406 6.60837012 -0.42459979 0.39244112 0.01694230 Zr 8.72628786 2.14985407 6.61772421 0.58093539 0.31281922 -0.20018986 Zr 0.00958261 4.37805581 4.41386644 -0.71268854 -0.21202729 -0.09255988 Zr 2.15797063 6.54192479 4.36284776 0.43460952 0.22773028 0.19047377 Zr 2.20172307 4.39829008 6.61033355 0.20206752 -0.14972672 -0.44668301 Zr 0.03039079 6.57105933 6.56537539 -0.80358005 0.10383948 0.21900074 Zr 4.40785952 4.41686770 4.34728004 -0.29506723 0.04157570 0.44282065 Zr 6.60263314 6.54719293 4.37645310 -0.26819943 0.36351762 0.00622591 Zr 6.60880017 4.34700771 6.55948664 -0.22455924 0.28471814 0.45952847 Zr 4.41486348 6.60947827 6.58290030 -0.25042429 -0.44691227 -0.06156949 Zr 8.75433053 4.38145697 4.36637826 0.26835480 0.05401729 0.28512477 Zr 10.99829592 6.58810385 4.39151182 0.40214024 -0.05221090 -0.15709886 Zr 10.99346802 4.37918798 6.61006144 0.27618826 -0.14184566 -0.13742253 Zr 8.79462542 6.60467083 6.60051211 -0.23804686 -0.38800596 -0.31019030 Zr 0.00831263 8.72449103 4.38379696 -0.45747637 0.64158310 -0.17906275 Zr 2.21412376 10.95216060 4.39053059 -0.48733110 0.52506122 -0.24664668 Zr 2.21869460 8.74249163 6.54087298 -0.30032709 0.35901220 0.39020082 Zr 0.03271216 10.99567935 6.60790883 0.48266926 -0.57857091 -0.11916676 Zr 4.33923317 8.78393075 4.39887966 0.52661662 -0.18466745 -0.33432808 Zr 6.63261561 10.98777571 4.36967726 -0.17353385 0.25340018 -0.04444446 Zr 6.56547371 8.72804977 6.60194576 0.12539332 0.50777352 -0.14670224 Zr 4.39782835 10.98610881 6.56029187 0.00656401 0.44329336 0.16604436 Zr 8.76585596 8.74914697 4.39686097 -0.02380565 0.24475051 -0.31809987 Zr 10.93142356 10.91078593 4.37620309 -0.39912354 -0.23634675 -0.11994443 Zr 10.94122295 8.76948704 6.56206791 0.79976747 0.32034894 0.13813074 Zr 8.76334835 10.92320170 6.59427100 0.21564554 0.57167707 0.18087733 Zr 0.04243337 0.01409219 8.72531825 0.58253907 0.53206310 0.25396127 Zr 2.17552610 2.23158215 8.76233031 -0.29081518 -0.86117651 0.26205408 Zr 2.22644799 0.01107843 10.92113334 -0.16908786 0.64578345 -0.64580708 Zr 0.02669161 2.17453449 10.94944004 0.59441694 -0.14467377 -0.63682422 Zr 4.38783943 0.04074145 8.72400657 -0.21167101 -0.76172574 0.64522396 Zr 6.57548518 2.16118056 8.76800259 0.04861634 0.31378086 0.49758906 Zr 6.62937961 0.00789761 10.97193535 -0.12738377 0.55078991 -0.46336663 Zr 4.35212788 2.22984312 10.94949542 0.24428017 -0.67822102 0.70811485 Zr 8.74394572 0.03526409 8.78278678 0.50218589 -0.67101308 0.38786093 Zr 10.97631126 2.20533834 8.77771078 0.33073216 -0.33290308 0.35940218 Zr 10.93549448 0.03495146 10.98506943 -1.09064173 1.08400975 -1.09396182 Zr 8.77635962 2.23223237 10.97726377 0.18862103 -0.40519004 0.40613858 Zr 0.03710863 4.39808628 8.78508474 -0.96851050 -0.08449863 0.20245150 Zr 2.20567581 6.53117862 8.74752499 -0.11739556 0.62195685 0.33669228 Zr 2.20231438 4.34964952 10.91424363 -0.39225565 0.18248200 1.05233005 Zr 0.03949273 6.55573514 10.96827102 0.48324340 0.23342291 -0.51256827 Zr 4.35752507 4.32329468 8.78957792 0.54820633 0.35324740 -0.41647933 Zr 6.54992424 6.57761013 8.75246297 0.20144312 -0.22553362 0.09347478 Zr 6.55749754 4.41122156 10.99686200 0.13822677 -0.30097757 0.41096336 Zr 4.39083004 6.55873432 10.91673685 -0.26713348 0.13047369 0.80055480 Zr 8.78181502 4.41905504 8.80491321 -0.08415101 -0.40578218 -0.10945400 Zr 10.91596841 6.59387123 8.73258101 1.02062638 -0.11097881 0.57169299 Zr 10.93831968 4.36361147 10.97731501 -0.31598422 0.06738779 -0.44236257 Zr 8.73712746 6.56759901 10.95929022 0.28063797 0.16708909 0.68917635 Zr 0.03706602 8.78593537 8.72761438 -0.40963510 0.19355243 0.53317231 Zr 2.19348711 10.96330290 8.74865914 -0.18596756 0.44670145 0.42035951 Zr 2.19841901 8.78688026 10.95491945 -0.37897279 0.27523879 0.37692664 Zr 0.01367626 10.99240082 10.97637443 1.15912451 -1.17115085 -1.21072988 Zr 4.37669300 8.78192085 8.80656433 -0.25759199 0.30055074 -0.20439682 Zr 6.57210500 10.97972607 8.76610663 0.18210968 0.39570662 0.18832021 Zr 6.53628548 8.78328193 10.92347691 0.35887964 0.19901478 0.68148259 Zr 4.41824347 10.98424114 10.96882093 -0.23393962 -0.40575465 -0.47785131 Zr 8.80416098 8.72341664 8.78868275 -0.23581951 0.85668664 0.24625808 Zr 10.99202920 10.93541175 8.75415366 -0.81875750 -0.64576530 0.14256636 Zr 10.91568754 8.77884556 10.91233190 -0.45402614 0.12711374 -0.39229245 Zr 8.73959969 10.95683663 10.96957471 0.13862929 -0.72407157 -0.83082951