108 Lattice="15.560412729410274 0.0 0.0 0.0 15.560412729410274 0.0 0.0 0.0 15.560412729410274" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.65692108150392 stress="-0.26684931059030403 -0.010610010185037044 -0.08877284956025955 -0.010610010185037044 -0.1799209145431373 0.24077202744691917 -0.08877284956025955 0.24077202744691917 -0.20137976831958182" pbc="F F F" Na 0.05089128 -0.04969507 0.04369284 0.04871769 0.06571369 0.04545670 Na 2.64097458 2.62647194 0.04043392 -0.00629019 -0.00199118 -0.06378187 Na 2.55430187 -0.03189274 2.58484753 0.06046050 -0.02248946 0.02751462 Na -0.04364150 2.65951971 2.54408692 -0.03619254 -0.02474996 0.02495915 Na 5.21238794 -0.04549128 -0.02963667 -0.01160433 0.02467306 0.03631035 Na 7.80879804 2.54413368 -0.04617137 -0.04394999 0.04726876 -0.03451248 Na 7.78619216 -0.01712352 2.62686092 -0.00087158 -0.04197413 -0.01645712 Na 5.16943647 2.63971816 2.61032790 0.02300342 -0.02808277 0.01918545 Na 10.33979896 0.03772076 -0.03042546 -0.00121471 0.00410177 0.02840856 Na 13.01478762 2.59841604 -0.01903113 -0.03818733 0.02531522 0.02567119 Na 12.95829964 -0.02331384 2.59454161 -0.02311286 0.03424304 0.01079223 Na 10.36304844 2.63991427 2.55773645 0.02766188 -0.02624994 0.02748693 Na -0.04238286 5.22020036 -0.04445825 0.03379852 0.00878471 0.01278612 Na 2.62385421 7.82641641 -0.02010546 -0.00083389 -0.02030115 -0.04368163 Na 2.58104381 5.18524738 2.60787589 0.02141866 0.03286075 0.01447866 Na -0.01061760 7.80339562 2.57002524 -0.03991951 -0.02313664 0.02240069 Na 5.20514963 5.22893902 0.01624655 0.02439265 -0.00796373 -0.06530177 Na 7.85055507 7.82587254 -0.02878378 -0.02819228 -0.02259053 -0.06873533 Na 7.83133433 5.17337257 2.58929609 -0.05670302 0.02428080 0.00302628 Na 5.18829444 7.79710985 2.55107070 0.00535647 -0.01566051 0.04342396 Na 10.34355222 5.20342369 -0.00414391 0.00107641 -0.01846339 -0.06600347 Na 12.94501364 7.72813907 0.00483447 -0.00236976 0.02138801 0.00228701 Na 13.01218113 5.18456743 2.55967455 0.02977231 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-0.02301903 0.01594513 -0.01666435 Na 2.55398818 2.55648176 5.22642371 0.06439297 0.04097500 -0.04686519 Na 2.55418994 0.01110334 7.74653975 0.06061606 -0.08667937 0.02513823 Na 0.03996432 2.56923201 7.80539939 -0.08650731 0.04471083 0.00857981 Na 5.23462541 -0.04377644 5.17903015 -0.02959680 -0.03302878 0.00750866 Na 7.81948136 2.58888593 5.15521786 -0.03249049 0.02337795 0.03021714 Na 7.83327935 -0.01599583 7.78508934 -0.01862078 -0.03761873 0.01328398 Na 5.19187032 2.61176818 7.78182280 0.01940216 0.02134484 -0.01771389 Na 10.39732198 -0.02335799 5.13932837 -0.02302134 -0.05312819 0.01042048 Na 12.98432524 2.55397670 5.22268266 0.04536431 0.04720647 -0.03598025 Na 13.01320096 -0.04877834 7.74106411 -0.01854602 0.00345661 0.00807785 Na 10.39027359 2.56939097 7.73842219 -0.04182726 0.02033462 0.01227015 Na 0.02688006 5.16034967 5.16064992 -0.07520864 0.01570401 0.00902316 Na 2.59383316 7.81111945 5.20756741 0.02681887 -0.02049453 -0.01733247 Na 2.55489486 5.22134512 7.78107552 0.04680121 -0.04969569 -0.01591759 Na -0.04089261 7.73370663 7.77122801 -0.07069510 0.03503583 -0.01298526 Na 5.19766589 5.20180424 5.18080008 -0.01443680 -0.00906332 0.01043805 Na 7.73156716 7.76437075 5.18238070 0.02604771 0.01647760 0.00124299 Na 7.83206095 5.22296826 7.76957596 -0.02411679 -0.03684442 -0.00648691 Na 5.16826107 7.73316583 7.82237382 0.01933727 0.05966587 -0.03156705 Na 10.33685263 5.18497807 5.14922178 0.04335278 0.02000031 0.02688977 Na 12.99476353 7.79027676 5.16846987 0.03806268 -0.01843588 -0.01249143 Na 12.99659886 5.15056721 7.80982834 0.05379759 0.04163958 -0.04143364 Na 10.37966383 7.77559498 7.79299751 -0.02004885 0.00883728 -0.02384108 Na -0.03538047 10.34913308 5.14187951 -0.05843049 -0.02080156 0.03193779 Na 2.57829392 12.95486705 5.23937839 0.04092549 0.06057651 -0.02127886 Na 2.58064178 10.36828830 7.77222946 0.02974467 -0.03820869 0.02108247 Na 0.02712969 12.97440810 7.73590073 -0.01856580 -0.01628868 0.02136181 Na 5.19252961 10.34170851 5.14570587 0.00886370 -0.01158021 0.01996356 Na 7.81108072 12.92856290 5.22904282 -0.02585842 0.07527017 -0.04117302 Na 7.80799394 10.37017653 7.72920433 -0.01719152 -0.04471797 0.06345665 Na 5.18935927 12.95303527 7.73851639 -0.00302497 0.05306156 0.03022444 Na 10.39525151 10.39939011 5.20547367 -0.03021447 -0.07746231 -0.03670211 Na 12.97500169 12.92593664 5.22909102 0.01589480 0.01581162 -0.03516214 Na 12.96919125 10.33896633 7.73322243 0.06992719 -0.01288076 0.04387430 Na 10.42141826 12.95633612 7.74902966 -0.04546874 0.06923490 0.04915650 Na -0.01783452 -0.00956690 10.37116582 0.01391896 0.01936167 -0.02153623 Na 2.63159802 2.54331120 10.37976399 -0.01710530 0.08787742 -0.03824140 Na 2.55030398 0.05958717 12.94540249 0.03497853 -0.02076571 0.01161189 Na 0.02373621 2.60777425 13.00595707 0.00239260 0.03449407 -0.03351125 Na 5.17289343 0.02496190 10.40114027 0.01881607 -0.07934247 -0.06411295 Na 7.79160641 2.66396040 10.40529692 0.01331046 -0.02397956 -0.06383969 Na 7.74217036 0.00896273 12.96994799 0.03573352 0.00287001 -0.01509917 Na 5.19018613 2.56429889 12.94302828 -0.00869390 0.07305736 0.07539625 Na 10.42234879 -0.03625182 10.36500109 -0.03819172 -0.02729527 -0.00753079 Na 12.94962836 2.59302731 10.30169050 0.06272622 -0.02282732 0.02836149 Na 12.92330959 -0.01523021 13.01380316 -0.05236461 0.06696812 -0.06554653 Na 10.38149788 2.59731215 12.97366604 -0.02478199 0.01238828 0.03878533 Na -0.00423931 5.22229313 10.39164992 -0.06922386 -0.05165376 -0.02358142 Na 2.55345370 7.73347754 10.32553582 0.05184837 0.06285269 0.02110522 Na 2.56015212 5.20674908 12.94640479 0.05163199 -0.01411426 0.05499205 Na -0.03644824 7.78684480 12.95829538 0.01892330 0.01617334 0.00805686 Na 5.18271128 5.23218885 10.32980273 -0.01558657 -0.05302660 0.00318227 Na 7.77677881 7.75314414 10.37081766 0.02970659 0.03836511 -0.04173507 Na 7.76130249 5.22291974 12.93301409 0.02566855 -0.02125163 0.07697255 Na 5.21048562 7.75731956 12.96058714 -0.02351551 0.01992099 0.05223749 Na 10.42390750 5.17577418 10.32873817 -0.05683729 0.00710346 0.00356337 Na 12.93556928 7.82685094 10.38727907 0.07570391 -0.01085604 -0.03459290 Na 12.93104414 5.19848571 12.93531533 0.01336028 -0.01397713 -0.00264101 Na 10.38412395 7.78435259 12.96135404 -0.01700793 -0.00119580 0.05636518 Na 0.00331061 10.34061391 10.40608576 -0.05073864 -0.01055213 -0.05006453 Na 2.55193831 12.97181694 10.37628289 0.04546117 0.05354178 -0.04287957 Na 2.67452614 10.39073407 12.93022359 -0.01980655 -0.04895038 0.05712001 Na 0.01306264 12.94339980 12.92268309 0.04675747 -0.05240965 -0.03592938 Na 5.22769051 10.41301455 10.40008854 -0.00941628 -0.06123004 -0.06789911 Na 7.75182697 13.01397666 10.42286772 0.03868352 0.04228606 -0.06796583 Na 7.85249049 10.35190931 12.95941491 -0.03611189 -0.01256022 0.06405713 Na 5.19868535 12.98929034 12.94467222 -0.00229017 0.00313753 0.01608781 Na 10.40548103 10.41710892 10.40316554 -0.06769551 -0.03960168 -0.06503111 Na 12.93772351 12.93969495 10.41556242 0.00601960 0.00993734 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