108 Lattice="12.176074487026014 0.0 0.0 0.0 12.176074487026014 0.0 0.0 0.0 12.176074487026014" Properties=species:S:1:pos:R:3:forces:R:3 energy=-602.4947993927909 stress="-9.275036201292789 -2.323466192487585 0.5935383412031743 -2.323466192487585 -7.251252725325855 1.9744314935810792 0.5935383412031743 1.9744314935810792 -7.512918545092247" pbc="F F F" W 0.03223739 -0.00673170 -0.00899299 -0.25735648 -0.15789891 -0.15117128 W 2.04828829 2.03406845 -0.02371787 0.55309707 1.19761396 -0.88218460 W 2.03559081 -0.00338049 2.05319796 0.50444632 -0.98656678 0.62306218 W 0.01642653 2.04025682 2.05078912 -1.23489946 0.24753699 0.48357936 W 4.03206383 0.01381677 -0.01679562 0.59400109 -0.63386092 -0.43918489 W 6.10787408 2.06920757 -0.03080917 -0.45614863 -0.24530488 -0.32964697 W 6.07442307 -0.00561577 2.05222104 0.04313117 -0.43287315 -0.07886714 W 4.03351553 2.04424220 1.99787805 1.04156811 1.43057432 1.11510735 W 8.15499316 -0.00077158 0.01178016 -1.46613010 -0.60322995 -0.78840933 W 10.16692524 2.03368777 -0.01873485 0.64171766 0.77977622 -0.92084770 W 10.13551009 0.03188692 2.02596955 1.14604762 -0.86432226 1.10731565 W 8.12243448 2.03294296 2.02806102 -1.56683360 1.21684910 1.35616252 W 0.02547168 4.06676580 0.02674789 -1.11844472 -0.50698659 -1.17795750 W 2.03937901 6.03881745 -0.02216621 1.17233180 0.59236626 -0.68122643 W 2.01118218 4.03605235 2.03676851 2.34034562 0.84871191 0.90592094 W -0.00665008 6.07712455 1.99039485 -0.67612276 0.37802837 1.75005102 W 4.09818498 4.08544936 -0.02366165 -0.48021208 -0.38551954 -0.27535536 W 6.11642119 6.05484682 -0.00409518 -0.39670211 1.01554025 -0.33450290 W 6.12402104 4.07225264 2.01785346 -0.87718320 0.26319663 2.01821999 W 4.02892293 6.10638641 2.00834395 0.78470450 -0.39910443 1.73499968 W 8.10337831 4.04085623 0.01054391 -0.45305895 0.10042722 -1.24437306 W 10.12590236 6.02363579 0.02828897 0.92579497 0.75932284 -1.14065047 W 10.14911625 4.02835898 1.99389704 0.81369407 0.32251318 2.01003974 W 8.15079669 6.08883665 2.03336975 -2.35346013 -0.51155765 1.64676635 W 0.03250421 8.07871842 -0.03193691 -0.70382467 -0.55231384 -0.76199386 W 2.00556561 10.16292566 -0.03138207 1.05611437 0.70921351 -0.49661686 W 2.03441797 8.14119765 2.02135120 1.25759603 -2.14026859 1.06979517 W 0.01346989 10.10958225 2.02791518 -1.02827161 1.16868335 0.38483611 W 4.04848548 8.13158996 -0.00873034 0.58173453 -1.24364983 -0.78951883 W 6.10111766 10.17911507 0.03508879 -0.44611952 0.38941143 -0.81395511 W 6.11341452 8.13412045 2.06117080 -0.74755249 -1.91751998 0.53350407 W 4.05300667 10.10780631 2.05407945 0.39731012 1.02499157 0.82350354 W 8.10599844 8.10399865 0.03641172 -0.97422689 -1.04294338 -1.63528978 W 10.13863844 10.11695515 0.03291077 0.76774813 0.50455615 -0.83505419 W 10.10638296 8.10960658 2.04557284 1.62361413 -0.85661925 1.05094944 W 8.12885590 10.16469668 1.98902252 -0.84025327 1.11566558 2.42459038 W -0.01690282 0.00874178 4.10705206 -0.34116547 -0.48446445 -0.26815571 W 2.04916857 2.04375253 4.03386529 1.06496472 1.07838028 1.41179106 W 2.05806005 -0.02268833 6.08313674 0.75584969 -0.33995624 -0.31459455 W -0.00134822 2.05120283 6.08576394 -0.27841288 0.79926854 -0.12666525 W 4.05378208 0.03536474 4.03778429 0.45949962 -0.96213087 0.57768231 W 6.07320398 2.04536623 4.02386774 0.68156440 0.95991435 0.80443234 W 6.11902139 -0.02796172 6.10678877 -0.25023983 -0.02366971 -0.31318008 W 4.07923943 2.01597104 6.08143420 -0.47446018 1.65551414 -0.04537034 W 8.11015054 -0.00162024 4.05901139 -0.72472798 -0.35909825 0.37202339 W 10.13424946 2.06665841 4.05416086 0.73378796 0.67334297 0.56925584 W 10.15062269 0.01134692 6.10937601 0.52549872 -0.69605768 -0.74164363 W 8.13069200 2.06643662 6.11577787 -2.19963617 0.38913634 -0.87614477 W 0.03771633 4.05401319 4.06349405 -1.19237381 0.41724378 0.14957026 W 2.00239443 6.09612747 4.04147955 2.20631907 -0.02688653 0.58348609 W 2.01764083 4.09383263 6.11873597 2.18206215 -1.12732551 -0.87209243 W 0.02599651 6.07172023 6.11926460 -0.78383669 0.77281099 -0.50395859 W 4.08763903 4.04985857 4.04918880 -0.93844450 0.87636333 0.00642764 W 6.06304601 6.12383265 4.06274592 0.57579468 -0.89485560 -0.53503322 W 6.08867038 4.08783587 6.03105808 0.11067770 -0.50005416 0.96678811 W 4.09359975 6.08070022 6.12028967 -0.88805200 0.07707461 -0.95385177 W 8.11738724 4.09486983 4.08481197 -1.46582582 -0.62314611 -0.98546263 W 10.11521078 6.09506136 4.06813803 1.63911077 -0.53355823 -0.55039600 W 10.11852502 4.08923692 6.11378982 1.50939114 -0.44603004 -0.42349185 W 8.15560181 6.08709217 6.05915075 -2.81805217 0.48091050 1.02970093 W 0.01254845 8.14481018 4.04009578 -0.75460719 -1.91990079 0.78658182 W 2.05039522 10.14528353 4.04948382 1.13085789 0.76125042 0.42016601 W 2.06855461 8.13351255 6.12619863 0.49179909 -1.61520324 -0.69470231 W 0.02231817 10.17342355 6.04688569 -0.48914545 0.55572885 0.29269117 W 4.07860733 8.08485303 4.11405447 -0.56762334 -0.69242843 -0.77516760 W 6.12499723 10.13860133 4.07312016 -0.42425706 0.97095689 -0.54444749 W 6.12558927 8.13230564 6.07155081 -0.42007257 -1.75001708 1.13287497 W 4.09617658 10.16957017 6.07198515 -0.18374972 0.56807467 0.49032808 W 8.11067848 8.10474303 4.06952897 -0.97159078 -0.87215538 -0.63711819 W 10.17418259 10.13700440 4.09464879 0.42396291 0.59461919 -0.71019968 W 10.13105784 8.10559861 6.07133209 1.31538421 -1.08922235 0.69629158 W 8.14076306 10.11502925 6.06023550 -0.97509736 1.34051326 0.97501251 W 0.02516199 0.01985544 8.08926627 -0.99388191 -1.06220794 -0.52105664 W 2.02310295 1.99357764 8.14539620 1.39013132 2.07636017 -2.19310562 W 2.03755653 -0.03737051 10.16983526 0.30980146 -0.53212180 0.65761231 W -0.02052553 2.06504924 10.11856236 -0.58814846 0.12411827 1.07309629 W 4.05616913 -0.01661789 8.12183390 0.40635042 -0.85777242 -0.90584536 W 6.05587001 2.05336122 8.10543063 0.87337439 0.88481383 -1.06119913 W 6.11898928 0.02435842 10.15960268 -0.32833758 -0.38300413 0.38340677 W 4.02230489 2.02531044 10.12401263 0.79215731 1.35546645 1.18559272 W 8.15759665 -0.00647173 8.14842820 -1.83761271 -0.61311930 -1.09788134 W 10.14005512 2.00979412 8.09457496 1.22040341 1.57062795 -0.28916156 W 10.16432844 -0.00431193 10.14469251 0.32551446 -0.07025633 0.52441074 W 8.11982419 2.07743526 10.17386726 -0.98967461 0.13869219 0.43702003 W -0.03493689 4.04715653 8.11158785 -0.50767780 0.50763343 -0.68265710 W 2.07124174 6.05591984 8.13311586 -0.05621546 1.06544848 -1.26727297 W 2.01237676 4.08111969 10.13557352 0.72525002 -0.23796775 0.91312659 W -0.03517151 6.13529982 10.14796642 -0.16840074 -0.25634914 0.13748619 W 4.04721354 4.04827822 8.09393053 0.58982779 -0.20066803 -0.88054007 W 6.07584266 6.08109821 8.08662958 0.61136404 0.50531177 -0.79227906 W 6.12200872 4.09237703 10.12700597 -1.17972079 -0.42232975 0.67508399 W 4.03925266 6.06994138 10.14461221 0.82345030 0.11131013 0.64874382 W 8.11039101 4.07746033 8.10312046 -1.80988167 -0.17987533 -1.30424016 W 10.12361537 6.06116765 8.13431382 1.20981276 0.70956766 -1.17887702 W 10.11910365 4.04484343 10.11297789 1.22782015 0.01989053 0.92043261 W 8.12090119 6.06965340 10.16662619 -1.01691186 0.23930891 0.71889249 W -0.01113729 8.14532669 8.09657264 -0.53180415 -1.23408437 -0.83719520 W 2.01959508 10.16882703 8.14735333 1.32040809 1.11581476 -1.55457443 W 2.05432215 8.13199409 10.14594726 0.48529014 -1.02634425 0.90081857 W -0.00600348 10.16526644 10.13328962 -0.41951950 0.19698166 0.53844346 W 4.05158157 8.13249378 8.12103165 0.99560739 -1.15225148 -1.10628604 W 6.12107950 10.13302144 8.14389915 -0.39503387 0.62898362 -1.65465753 W 6.10803473 8.08790347 10.18035985 -0.64618922 -1.00399436 0.38475797 W 4.08555060 10.18162099 10.14874752 0.12488425 0.32423288 0.57086653 W 8.14822361 8.12028369 8.14975863 -2.15322133 -2.00285419 -2.33206640 W 10.17118263 10.12214533 8.14856546 0.75524219 1.01545120 -1.45460963 W 10.11935101 8.11812135 10.13402275 1.29558276 -1.18167835 1.42101564 W 8.11255726 10.12923364 10.13088404 -0.69339140 1.22748361 1.36767328