108 Lattice="15.560413870374592 0.0 0.0 0.0 15.560413870374592 0.0 0.0 0.0 15.560413870374592" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.5971245184053 stress="-0.0004920584807509102 2.6403797051566574e-05 -3.639004131722337e-05 2.6403797051566574e-05 -0.0004652892148338907 2.8091329430631455e-05 -3.639004131722337e-05 2.8091329430631455e-05 -0.0004697192952645208" free_energy=-101.5971245184053 pbc="F F F" Na 0.01507202 0.00704532 0.04977155 0.04647955 0.05104808 0.03715724 Na 2.59718503 2.63139789 0.04195174 0.01588376 -0.01688269 -0.08206293 Na 2.57424882 0.03199774 2.59033069 0.03914882 -0.07745001 0.00870882 Na 0.02143384 2.58734907 2.58371471 -0.08816853 0.02470236 0.02975962 Na 5.22463683 0.03376722 0.02707377 -0.02537557 0.00275067 0.00763427 Na 7.80019609 2.56318276 0.01748558 -0.01358787 0.06652925 -0.06250773 Na 7.84489179 0.01405337 2.55698542 -0.02356145 -0.06256444 0.06781962 Na 5.16746606 2.64310730 2.60217806 0.02870277 -0.01659183 0.02328694 Na 10.41219933 0.08437140 0.04432872 -0.04192724 -0.03486126 -0.03977000 Na 12.93767295 2.59218934 0.02732978 0.03171268 0.03934590 -0.01627390 Na 12.93556691 0.00823921 2.54747824 0.00674293 0.00686523 0.06195841 Na 10.38457755 2.62501601 2.56126964 -0.03754554 0.02417121 0.09100532 Na 0.02319727 5.16932754 0.02658702 -0.00390204 0.01316536 -0.00135381 Na 2.60117463 7.79561685 0.03002816 0.04028322 -0.01496718 -0.05998955 Na 2.57717934 5.15266543 2.62790370 0.02664412 0.05258493 0.02461232 Na 0.00059568 7.82060995 2.58031495 -0.05051321 -0.02379348 0.04311185 Na 5.16437744 5.14544914 0.03033019 0.02268145 0.02311344 -0.08086824 Na 7.75894578 7.83160281 0.04385069 0.02091682 -0.03566483 -0.07367990 Na 7.74434104 5.20386245 2.64555599 0.01296343 -0.02883113 -0.02843018 Na 5.19715422 7.73349393 2.58545281 -0.03872755 0.02836531 0.05812917 Na 10.39912341 5.15701614 0.05000876 -0.07232454 0.02107838 -0.08261172 Na 12.91754963 7.76739497 0.10034523 0.02531829 0.02500931 -0.02936051 Na 12.99318623 5.19281307 2.54858714 0.06975510 -0.01705033 0.06086367 Na 10.34855120 7.73996839 2.61141528 -0.02705209 0.05470028 0.02459032 Na 0.07345895 10.37094757 0.03692427 -0.02337787 -0.03494790 -0.01462546 Na 2.57040169 12.90996204 0.05901802 0.06031834 0.02072449 -0.02077175 Na 2.62466705 10.37158480 2.61493530 0.02420064 -0.05228146 0.03491770 Na 0.03434770 12.97246949 2.54206007 -0.00299575 -0.01125762 0.06753262 Na 5.22111714 10.41447346 0.01817539 -0.02696120 -0.03274726 -0.06732629 Na 7.79467821 12.99080736 0.01094009 0.01095277 -0.00985995 0.01261956 Na 7.72032874 10.38958888 2.61383198 0.04173908 -0.02632527 0.03460841 Na 5.17198753 12.96640814 2.61272375 0.01800008 0.08638691 0.00425324 Na 10.40815685 10.37411921 0.03479178 -0.04645634 -0.02046989 -0.05204104 Na 13.00611212 12.92685589 0.00525794 -0.04763690 -0.04129724 0.04304072 Na 12.99395777 10.42375806 2.60740787 0.06150965 -0.06192684 0.02957038 Na 10.42228603 12.92848437 2.57785296 -0.06999133 0.07527165 0.01410957 Na 0.03046167 0.06748888 5.22220617 -0.01485362 -0.03523732 -0.01576770 Na 2.59401257 2.56554345 5.14408912 0.04936934 0.07219485 0.04696635 Na 2.62187573 0.04945516 7.81165826 0.03735062 -0.07215986 -0.00021289 Na 0.03947790 2.59489831 7.73307267 -0.06311071 0.04510934 0.04685702 Na 5.15511222 0.04643386 5.18026600 0.01552007 -0.07601173 -0.01591582 Na 7.75332122 2.58055309 5.16284107 0.03179667 0.03303550 0.01184027 Na 7.74946252 0.03655871 7.75550775 0.02378658 -0.06341505 0.00499217 Na 5.19652931 2.61858932 7.82408779 -0.03191808 0.03039138 -0.03436090 Na 10.42234780 0.00319033 5.20806734 -0.03940708 -0.04291492 -0.01571176 Na 12.95754562 2.64050050 5.15433060 0.05339735 0.01980810 0.00457414 Na 12.96724388 0.04316628 7.80349352 0.01540675 -0.00677545 -0.00608840 Na 10.40827839 2.59054117 7.79217811 -0.04896175 0.02875612 -0.04960280 Na 0.01503130 5.17238213 5.19613437 -0.08098153 0.01470219 -0.01110008 Na 2.56998133 7.74579696 5.23297181 0.05275923 0.02733312 -0.04195396 Na 2.55850670 5.23649328 7.78237437 0.06247519 -0.06393832 -0.00896798 Na 0.02485433 7.83196527 7.82873641 -0.09959331 -0.02762839 -0.04307505 Na 5.18933144 5.18730520 5.21188920 -0.01537418 -0.01183636 0.01718877 Na 7.76834006 7.76314764 5.17796950 -0.01237379 0.04584966 0.03842440 Na 7.78890137 5.13954738 7.81473067 0.00426656 0.03052433 -0.04748503 Na 5.20880028 7.76117282 7.77095377 0.01620973 0.02141464 0.01594503 Na 10.32850232 5.21593842 5.14553174 0.00150634 -0.04543935 0.03778829 Na 12.96045620 7.75577916 5.14475271 0.06368741 -0.00542664 -0.02073138 Na 12.95118904 5.22994476 7.80746188 0.08228331 -0.03035583 -0.03027173 Na 10.39245936 7.75430308 7.75240276 -0.06023880 0.01872624 0.00839900 Na 0.03267698 10.38695101 5.19371343 -0.05884045 -0.00796309 -0.00588374 Na 2.63527073 12.97359270 5.15674735 -0.01300415 0.07912072 0.02303903 Na 2.60935746 10.38949911 7.76899508 0.03646258 -0.01570295 0.00987103 Na 0.02730555 13.00399095 7.79183186 0.01245266 -0.01626923 0.00315974 Na 5.14480793 10.41889389 5.19319394 0.03370627 -0.09429049 0.01728104 Na 7.76672079 12.94463862 5.23178779 0.03214386 0.07868908 -0.03309046 Na 7.81555109 10.41982055 7.81807641 -0.01838708 -0.09353051 -0.02230188 Na 5.25236949 12.98649890 7.79220185 -0.04425165 0.06271604 0.02399867 Na 10.37125635 10.39635208 5.18176041 -0.04014412 -0.05547492 0.00473513 Na 12.89038032 12.96947580 5.16829150 0.02532893 0.01331050 0.02674980 Na 13.00332871 10.27650391 7.71569952 0.04241584 0.02533823 0.02574018 Na 10.40073351 13.01552371 7.82931776 -0.02071175 0.04278980 -0.02483989 Na 0.03683124 0.00003978 10.32721348 -0.00087068 0.02355939 -0.01757151 Na 2.60815154 2.60931825 10.39769566 0.00470290 0.02539401 -0.03962361 Na 2.55866779 0.01924715 12.94626742 0.04672257 -0.00337838 -0.01332315 Na 0.04849081 2.60609826 12.98810572 0.00003076 0.02712076 -0.01683534 Na 5.24498148 0.00595222 10.39115961 -0.02132397 -0.05502637 -0.02015820 Na 7.80668090 2.63563227 10.35207495 0.00035127 -0.03095447 0.00946286 Na 7.76041119 0.00124331 12.98871913 0.02112151 0.02539654 -0.01049499 Na 5.15386748 2.59755084 12.94864664 0.01239136 0.02274003 0.07090569 Na 10.37567068 0.01358695 10.37250111 -0.04805094 -0.06857777 -0.01083063 Na 12.91721693 2.55890694 10.40291268 0.10021840 0.04296915 -0.02444625 Na 12.95370720 0.05068450 13.00054662 -0.04859371 0.03642193 -0.04796979 Na 10.39721424 2.60067656 12.95951255 -0.05108930 0.00805326 0.06864778 Na 0.04462368 5.20270772 10.40254917 -0.09059158 -0.02822775 -0.03927073 Na 2.57327059 7.73888964 10.33200875 0.06190392 0.03450577 0.00195914 Na 2.56555175 5.23530085 12.99205505 0.05674704 -0.03459218 0.06360899 Na 0.05209319 7.74147824 13.00552026 -0.00532871 0.04094279 -0.00626346 Na 5.18361904 5.14883873 10.37922813 -0.01256544 0.05080889 -0.01993279 Na 7.82648102 7.73504713 10.37758402 -0.03141422 0.03570791 -0.03069811 Na 7.80939874 5.16847503 12.91777898 -0.01214679 0.01838873 0.07884457 Na 5.09347978 7.82929010 12.95488260 0.04542331 -0.03780319 0.05534087 Na 10.41194437 5.13583920 10.31572128 -0.04287442 0.04240868 0.01387001 Na 12.98939314 7.75422934 10.39312629 0.05061867 0.03441016 -0.02469695 Na 12.89320246 5.22716401 12.94829991 0.02027047 -0.02265370 0.01494788 Na 10.38665290 7.80718739 12.94137907 -0.03038230 0.01382618 0.05705288 Na 0.00782402 10.32363940 10.34104686 -0.05608534 0.01975009 0.02331209 Na 2.59275417 12.93241998 10.39913195 0.02404888 0.07998652 -0.04369841 Na 2.61216057 10.42421183 12.91832276 -0.02131542 -0.03191034 0.08119038 Na 0.00164343 13.00967648 12.94659104 0.05150021 -0.06654113 -0.06508133 Na 5.15012880 10.36022696 10.39642641 0.04164473 -0.03462711 -0.06961217 Na 7.81568196 12.91805592 10.38628800 -0.00497638 0.07580389 -0.01028553 Na 7.73636942 10.38638150 13.01747185 0.03443571 -0.04735010 0.03278983 Na 5.26420883 12.97352476 12.94900510 -0.02679459 0.01494126 0.00152867 Na 10.40249833 10.38370645 10.35798887 -0.01217948 -0.05155252 -0.01074086 Na 12.94408144 12.96268509 10.34830985 0.01384291 -0.02116581 -0.03503964 Na 13.01158207 10.40923741 12.96664864 -0.02069684 -0.04009288 -0.02174194 Na 10.41160836 12.97323257 12.93527595 -0.04271623 -0.02016387 -0.00295163