108 Lattice="11.894839509204322 0.0 0.0 0.0 11.894839509204322 0.0 0.0 0.0 11.894839509204322" Properties=species:S:1:pos:R:3:forces:R:3 energy=-388.01122135867826 stress="-6.298415882832272 0.32398688504891204 -0.1884053968243009 0.32398688504891204 -4.993782834288496 0.5773423668314877 -0.1884053968243009 0.5773423668314877 -5.33101149149058" pbc="F F F" Si -0.01302326 -0.02785311 -0.01680167 1.45992703 1.48680640 1.45420088 Si 1.96597131 1.95599530 0.02782822 -0.55992447 -0.42886678 -0.47145939 Si 1.98765857 0.03571458 2.01585628 -0.45492036 -0.67571736 -0.68413817 Si 0.00955302 1.99759325 1.99856647 -0.57283419 -0.50714960 -0.59619447 Si 3.99077201 -0.00033357 0.01780760 -0.03863572 1.15236819 1.15497724 Si 5.95582825 2.02105599 0.01175947 -0.00114761 -0.85169391 -1.05455734 Si 5.95202494 0.01692996 2.01460046 -0.10785718 -1.05841070 -0.95857153 Si 3.99631935 2.00243757 1.96293400 -0.41171815 -0.77445368 -0.70018734 Si 7.89254587 -0.01832486 -0.00936256 0.39488406 1.33804096 1.30661187 Si 9.88542485 1.95385947 -0.03144510 -1.31096300 -0.33935895 1.40777800 Si 9.89820899 0.01156656 1.95121362 -1.33151282 1.38279763 -0.34132091 Si 7.89477751 2.01685256 1.97028667 1.40212768 -0.86208890 -0.76887505 Si -0.01388614 4.00195403 0.00173149 1.12619751 -0.21276172 1.08737540 Si 1.96325540 5.92828361 0.03136580 -0.47708358 0.07287638 -0.78269445 Si 1.97265222 3.97381941 2.00792304 -0.52700535 -0.11155041 -1.03657743 Si 0.00712762 5.94116049 1.94845740 -0.71053759 0.27428184 -0.42429673 Si 3.98792514 3.95692734 -0.00411727 -0.18816076 0.13954874 -0.62618302 Si 5.99610307 5.91195976 -0.03853387 0.02577213 0.15166336 -0.53173490 Si 5.97498056 3.96851946 2.00770688 -0.35961819 0.37584639 -0.88156246 Si 3.99822643 5.97797798 1.94682701 -0.09832985 -0.45336848 -1.09379161 Si 7.94323718 3.96359273 -0.00732621 0.77295070 0.11867278 -0.86689357 Si 9.91639722 5.98300492 -0.02662460 -1.21580009 0.03648212 1.22519909 Si 9.92516145 3.99381661 1.95861429 0.73387089 -0.28840936 -0.65812825 Si 7.96565083 5.91148912 2.01914943 0.58208106 0.37824778 -1.29053243 Si -0.02048567 7.95959666 -0.01010245 1.38354831 0.30995932 1.38765802 Si 1.98800848 9.92146871 0.01961606 -0.36955724 -1.27549951 1.15934240 Si 2.02085920 7.93771324 1.96799057 -1.09669901 0.31836348 -0.92665281 Si 0.03382077 9.89486294 2.00815057 1.03521489 -1.14400940 -0.50713427 Si 3.99486247 7.92479798 -0.00555667 0.05092140 0.72761088 -0.82142002 Si 5.93329125 9.94020588 -0.03886685 -0.08026083 -1.24395363 1.18614143 Si 5.92658439 7.94742292 1.99273714 0.35264513 0.50683475 -1.14311823 Si 3.94901540 9.91062820 1.99172523 0.08306701 1.08139194 -0.96800807 Si 7.90935279 7.95278596 0.02503598 0.49466516 0.21395644 -0.62742428 Si 9.89178030 9.89102019 -0.01521921 -1.35173819 -1.38108697 1.39501546 Si 9.91627981 7.92147111 2.00061642 0.61001487 0.66041265 -0.62028272 Si 7.89690357 9.89093464 1.95163893 0.70335216 0.73046367 -0.38945020 Si -0.01352736 0.00295155 3.93211189 1.07635139 1.18292657 0.06712812 Si 2.01570394 1.96738041 3.96978162 -0.86121827 -0.65091015 -0.00050725 Si 1.99046656 0.03636974 5.90179358 -0.85998207 -0.81443042 0.28190493 Si -0.00464826 1.98282016 5.95440558 -0.45523142 -0.48666615 0.05075601 Si 3.99910856 -0.00352949 4.01172755 -0.12414182 -0.94688431 -0.34451035 Si 5.94045405 1.97937575 3.94299539 -0.02046823 -0.51806582 0.44577909 Si 5.93510628 -0.00014939 5.92568552 0.22981374 -0.83220747 0.26206218 Si 3.98642137 1.96398891 5.97515920 -0.08358826 -0.65433319 0.16743566 Si 7.92369606 0.03674681 3.90865740 0.94504103 -0.72169436 0.26574719 Si 9.93159242 2.00474143 3.96704126 0.41218260 -0.67746533 -0.09630301 Si 9.87481395 0.02719778 5.97727720 -1.02654859 1.05677362 -0.16535126 Si 7.91525612 1.98446387 5.97067150 0.73354747 -0.84207793 -0.39800936 Si 0.01661356 3.98957482 3.96811526 -0.91304396 -0.19609521 0.03893572 Si 2.01698803 5.94307161 3.99367988 -1.20262930 0.30647257 -0.77228978 Si 2.01425775 3.97641048 5.92182708 -1.36673433 -0.72711211 0.63096704 Si 0.01718094 5.95339659 5.93089853 -1.08267337 -0.15262262 0.28192459 Si 3.94581726 3.99989994 3.97536553 0.43069881 -0.47254544 -0.37430584 Si 5.94755810 5.94104629 3.93570701 0.11785121 0.08626459 0.50037311 Si 5.92445857 3.93664929 5.96763843 0.48995395 0.38103700 -0.24619406 Si 3.94337130 5.94608415 5.91852949 0.77246231 0.55460738 0.24645968 Si 7.96821440 3.95904083 3.96849391 0.89952824 -0.09628819 0.57747954 Si 9.93271456 5.95837701 3.95518782 0.94300675 -0.05234112 0.19844295 Si 9.94411540 3.94010493 5.98492604 0.66092163 0.02274302 -0.19286630 Si 7.96244673 5.97134321 5.93466773 0.43345068 -0.44261215 -0.05373737 Si 0.01574887 7.90089714 3.95656833 -0.81810522 0.55547623 -0.16156646 Si 1.95087887 9.87457915 3.95751801 -0.72641614 1.02405471 0.23412133 Si 1.96308496 7.92461719 5.94475717 -0.59980524 1.04067081 0.15077182 Si 0.00910050 9.89516781 6.02457624 1.00683322 -1.00828398 -0.09606919 Si 3.95450735 7.95903384 3.93680930 0.14864585 0.62082822 0.54635498 Si 5.93238703 9.87746150 3.94257603 0.26055515 0.96276080 0.28951210 Si 5.96987576 7.93542148 5.97558527 -0.43086017 0.62783163 -0.42925270 Si 3.95442368 9.91164564 5.90580705 0.09505404 0.63207228 0.22384408 Si 7.94575229 7.91872517 3.93130689 0.79236712 1.13458499 0.36258797 Si 9.92713831 9.93294563 3.96079896 -1.34749307 -1.38638533 0.04754550 Si 9.94590769 7.90071894 5.97956692 0.65050043 0.78460094 -0.19761775 Si 7.94723197 9.87876676 5.98474075 0.80929715 0.87951439 -0.59932695 Si -0.02627696 0.03742131 7.92494105 1.29743753 1.31956955 0.32609068 Si 1.99725143 1.96760121 7.95301358 -0.79439930 -0.50779612 0.40569411 Si 1.94543531 0.03389655 9.93634611 -0.33377655 1.21016286 -1.25349177 Si 0.00671478 1.99938644 9.94465691 1.21878980 -0.29662254 -1.33166260 Si 3.96503366 -0.01657796 7.92896676 -0.02075602 -0.57794179 0.61862784 Si 6.00414677 1.96582078 7.96564860 -0.28048020 -0.78867733 0.79632630 Si 5.88820142 0.02516964 9.88403912 0.06400195 0.96446341 -0.95995030 Si 3.93517178 1.98596464 9.91133333 0.09322877 -0.50117016 0.65204254 Si 7.96679604 -0.02322019 7.94010541 0.39787857 -0.63042240 0.52090042 Si 9.91317718 1.97582666 7.93715012 0.68882084 -0.38914602 0.75273728 Si 9.88638622 -0.03073953 9.88513959 -1.39984500 1.42720256 -1.34996635 Si 7.90556592 1.97637495 9.93770665 0.71083418 -0.38568134 0.48932114 Si -0.02908222 3.95963099 7.94016585 -0.23845575 0.03427000 0.57195195 Si 2.01482950 5.90964251 7.89360029 -1.33769459 0.01310682 1.25952408 Si 1.98167464 3.97981266 9.90024373 -0.74954131 0.11282065 0.50295466 Si -0.03509515 5.95165449 9.94459187 1.48922435 0.08814837 -1.54508531 Si 4.01346738 3.97067840 7.93831040 -0.27168878 -0.35029930 1.09677180 Si 5.91841240 5.95120566 7.93048969 0.45727379 -0.03376434 0.43825081 Si 5.96315738 4.01556487 9.93094567 0.03820330 -0.27344309 0.75593401 Si 3.98439157 5.99951254 9.88616854 -0.23659390 -0.25565238 1.13892355 Si 7.96170918 3.94786852 7.93445094 0.70982858 0.26772019 0.86038690 Si 9.88768824 5.94295933 7.90889425 0.70634608 0.12304120 0.91450389 Si 9.94835174 3.97237660 9.95016922 -1.37850477 -0.06618678 -1.30516610 Si 7.90959176 5.94834877 9.88746791 0.84996343 0.15955853 0.56084426 Si -0.02467231 7.93915859 7.89453290 -0.37432723 0.25329333 0.95408989 Si 2.01619057 9.88187627 7.96896810 -0.67656120 0.77855796 0.52167319 Si 2.01791346 7.91527865 9.90592817 -1.09350771 0.34871519 0.56270373 Si -0.03481796 9.89841642 9.89362047 1.46727809 -1.48687749 -1.47237131 Si 3.93208142 7.95671757 7.94266728 0.19207572 0.85346599 0.16343929 Si 5.96976379 9.88530318 7.95012389 -0.33114553 1.01673380 0.63161119 Si 5.91383427 7.94534747 9.90638936 0.31063727 0.65346454 0.89594350 Si 3.97817514 9.91683400 9.94913335 0.02646581 -0.98669495 -1.01481029 Si 7.90789254 7.96129918 7.90675560 1.09888500 0.20518480 1.34185225 Si 9.90619958 9.93239233 7.90276461 -1.16793730 -1.29032111 0.50609149 Si 9.92596233 7.94270586 9.94938582 -1.56576925 0.31399973 -1.54279009 Si 7.94835832 9.93765778 9.89248234 0.49775223 -1.34522712 -1.19923272