108 Lattice="13.441766500702442 0.0 0.0 0.0 13.441766500702442 0.0 0.0 0.0 13.441766500702442" Properties=species:S:1:pos:R:3:forces:R:3 energy=-111.36920126571313 stress="-0.006636834019303083 0.0019680011104869022 -0.004234925918350637 0.0019680011104869022 -0.010656966501492764 0.0022896232277334447 -0.004234925918350637 0.0022896232277334447 -0.009970432404958004" free_energy=-111.36920126571313 pbc="F F F" Cd 0.04837394 0.05548083 0.01254178 0.29111535 0.20851583 0.33161762 Se 2.26247689 2.21686384 0.02906236 -3.78399942 2.62448750 -1.78030258 Se 2.24937852 0.03933450 2.20417691 -2.26692735 -2.04255872 2.83974346 Zn 0.02724962 2.26252925 2.24634066 0.88886851 0.74517926 0.00856177 Se 4.49570567 0.02658284 0.02794703 2.53176206 -0.87737756 -0.46837731 Hg 6.73579790 2.23613519 0.00674971 0.92880065 -0.62407861 -1.86839801 Zn 6.69414916 0.04395848 2.32303251 -1.23618454 0.00292006 -0.23821115 Te 4.44061908 2.28273100 2.24462365 2.29923836 -2.57911382 3.02254187 Te 8.92621482 0.01198606 0.03554881 -1.64071921 -1.34059841 -1.78735629 Cd 11.19884339 2.24722388 0.00040457 0.11930603 1.24880737 -0.78667122 Te 11.17557495 0.00954777 2.27836594 2.08173224 -0.78950626 1.66422373 Cd 8.90136206 2.21328857 2.22367072 -0.29146995 2.66264027 1.27378904 Zn 0.03860089 4.48616014 0.00372707 1.32445673 -0.70063028 0.95386887 Cd 2.28473136 6.68847081 0.03343094 -1.41193229 1.00032304 -0.74724999 Zn 2.26100227 4.49845516 2.19689781 -2.63152762 -0.02512397 0.45958841 Zn 0.01890154 6.73772363 2.19718657 0.73046335 0.51773420 -0.40496819 Te 4.46213055 4.44062107 0.00914455 -0.99077909 0.52147040 -4.59293419 Te 6.68669717 6.73727589 0.03936242 1.20265899 1.06303764 -2.23225138 Hg 6.70382085 4.49834651 2.25755041 2.46384625 -0.24721678 1.05448934 Se 4.47496043 6.69467801 2.24729127 -1.41332833 1.26900765 -2.65813701 S 8.92757436 4.45784825 0.03056698 0.81682400 -0.73856989 1.43295871 Zn 11.19597474 6.70731878 0.05433543 -0.98736604 -0.14451857 -0.03253983 Hg 11.22130364 4.45952881 2.18138184 0.06827829 -0.81450531 -0.13192746 Cd 8.99183322 6.68608565 2.24229591 -0.71004018 -0.36437599 -0.77041182 S 0.00510693 8.95966422 0.03831987 1.43229068 -0.28670646 1.68233940 Cd 2.27849178 11.19858950 0.02795721 -1.18394773 -0.90734565 1.00219687 S 2.24749388 8.93180289 2.27681885 -1.36644021 0.72715949 -0.56417325 Se 0.02808562 11.17616578 2.25543809 1.32028882 -1.44035974 0.35755698 Hg 4.51889033 8.95829667 0.01570708 0.03649334 0.24608936 0.60017642 Cd 6.74280550 11.23118022 0.03477837 0.55815724 -1.26332810 0.65374564 S 6.70848061 8.91698314 2.26948703 0.52311263 2.08430989 -0.22009114 Hg 4.50996127 11.24286357 2.27105695 -0.45472695 -0.80055467 0.77324925 S 8.92769281 8.93242319 0.04233676 0.49987934 0.99939812 0.47385365 Te 11.19474182 11.17445133 0.04752677 -0.44704096 -0.39410111 0.19076669 Cd 11.24139282 8.92537715 2.21240449 0.73498664 1.34877404 0.10002567 Hg 8.97956982 11.20357899 2.23287620 -0.05305138 -0.28234853 0.44810325 Zn 0.00141748 0.03657963 4.49693612 0.54845921 0.75600096 -0.16399100 Cd 2.24102527 2.25264519 4.46699363 -2.02185269 -0.48679016 -0.13685660 Cd 2.30816313 0.00101075 6.74552705 -0.46411820 -1.79670051 -0.65334090 Se 0.00975263 2.26181461 6.68042715 -0.89476998 -0.64036642 -1.29523847 Zn 4.52232542 0.02403534 4.51706378 0.99167732 0.37031476 -0.05056578 Zn 6.69635250 2.23505872 4.48754915 -1.06705225 0.35445850 1.47745076 Zn 6.68605947 0.03266920 6.77658759 -1.30151789 0.98402435 0.04842172 Se 4.45856098 2.23524016 6.69165061 3.22615819 -1.15244603 -1.14926309 Hg 8.95987805 0.03918716 4.43652837 0.16000905 -0.25312889 0.28562738 S 11.17511575 2.21907484 4.50843241 -1.89410470 0.34451775 0.75971047 Hg 11.23851732 0.02833868 6.72994638 0.21886303 0.70388969 -0.81578737 Hg 8.94638230 2.23807956 6.70695309 -0.04468920 0.73283555 -1.95829586 S 0.02904179 4.45422221 4.46369400 1.33635680 0.40156992 -0.92958621 Cd 2.26849645 6.74852720 4.43442226 -2.09236967 -0.79443256 0.02654660 Cd 2.27780257 4.49912517 6.71315631 -0.04975919 0.53116564 -0.65462074 Cd 0.04408451 6.74682346 6.70525506 -0.83703614 -0.33797958 -0.55234080 Se 4.50470208 4.50689743 4.43928606 0.59635144 -0.65992294 1.53171035 Se 6.73102813 6.74206999 4.49329026 3.26367890 -1.66092284 0.57992864 S 6.73841774 4.47109848 6.67845084 -1.06490410 -1.30809282 -1.15057532 Zn 4.47164627 6.75074042 6.72684301 1.55052747 -1.07151135 0.35844760 Zn 8.92300180 4.46003654 4.49212872 -0.23299374 -1.11736804 1.67387997 Te 11.23762022 6.64333159 4.39663805 1.73714984 -0.04217951 0.39443490 Se 11.22812668 4.44014253 6.70295425 0.54888402 -1.19837565 -1.35698582 Te 8.91273147 6.69041113 6.76217490 0.46623055 1.05800036 -2.96403705 Zn 0.04132823 8.98342781 4.49120404 0.88784357 1.99555008 -1.73529907 S 2.24992756 11.16664101 4.46101549 -0.72099165 -1.52710543 0.47166281 Cd 2.25678142 8.93955370 6.75126601 -0.65068989 1.33498155 -0.27767653 Zn 0.04461590 11.23179168 6.71328076 1.75223214 -0.44914763 0.02996647 Se 4.49476674 8.93107179 4.43677481 -1.67561994 3.36481598 1.44771832 Te 6.70769927 11.22776574 4.46210323 0.18261941 -0.07331805 0.27124420 Se 6.75764903 8.92577658 6.69439770 -0.71536524 1.75342538 0.25723857 Zn 4.45841807 11.21501596 6.73075142 -0.20895806 -0.26663940 -1.29265002 Zn 8.97712144 8.96856576 4.44466883 -0.44091734 1.51322686 0.68518328 S 11.17150548 11.21846006 4.49912490 -2.19956839 -2.32722748 -0.10379065 Se 11.19370031 8.95429182 6.75916326 -0.13671245 1.65379977 -1.23990190 Hg 8.93502495 11.21627747 6.73094771 1.64917766 -0.47545691 -0.26365205 Te 0.03249650 0.03628280 8.96449082 -0.83674553 -0.75735266 -0.01991005 Cd 2.30905005 2.20196639 8.95495217 -0.43895595 1.68271860 0.12701400 Cd 2.18554852 0.01384666 11.21145446 -0.30216431 -0.64518718 0.92957056 Se 0.00258771 2.26724444 11.23278724 0.71804488 0.49360922 0.11396218 Se 4.47345208 0.02874817 9.02077557 1.77536726 -2.55694887 -0.07561214 Hg 6.73656840 2.19197159 9.00792001 -2.09131614 0.17705658 -0.48454165 S 6.68854930 0.00961532 11.21954417 0.18731648 0.98108517 -1.16914405 Te 4.51114816 2.24147311 11.17879794 0.68353605 1.21864079 1.84194382 Hg 9.00201210 0.00042441 8.99803791 -1.04800082 -2.15258831 -0.52555639 Cd 11.18743457 2.27747722 8.99669306 3.20454263 -0.13249980 -1.82635372 Te 11.17964980 0.03861992 11.18915863 1.64250344 -1.68325657 0.78087249 Te 8.92927624 2.22381886 11.19777372 -2.58178645 -0.16526605 4.53965695 Te 0.03354409 4.54429359 8.95897520 -1.67672114 -0.02749704 1.26599578 S 2.24965926 6.64825167 8.98071648 0.78193122 0.28476464 1.32035409 Zn 2.24058260 4.50546809 11.15715323 -0.36351248 0.80201910 -0.55663614 Se 0.02431475 6.70347660 11.16021829 1.55316988 0.27959998 -0.99392384 S 4.51586610 4.46976932 8.92433562 1.42261369 1.81185445 0.55814981 Hg 6.74902817 6.66837575 8.94930830 -1.96308932 -0.02733189 1.75184345 S 6.74949585 4.48828643 11.22554993 -0.94293197 1.22196805 -1.01825024 Hg 4.49090806 6.68662957 11.18388323 0.57828847 -1.06079114 -0.08705383 Te 8.93001451 4.47622278 8.91656367 -0.44701242 0.51826677 1.23307836 Hg 11.24397432 6.76237735 8.97046762 1.64309555 0.31334855 0.06986184 Hg 11.21114460 4.47564713 11.23654665 0.54345210 0.52585791 0.80697345 Zn 8.98382764 6.71448033 11.19906602 -0.75485353 0.70985859 -0.40690658 Hg 0.00548302 8.96707471 8.97311174 0.26719782 0.38974025 0.83604995 S 2.20117845 11.22160298 8.91445359 -1.18530463 -1.00260591 0.14993956 Hg 2.22658355 8.92276675 11.15254383 -0.90605099 0.76124803 -0.03130149 S 0.01266995 11.20097515 11.18307370 1.62497350 -1.29946696 -1.72445530 Te 4.43335176 8.92512632 8.96332329 -0.08677550 -0.02519290 0.03579218 Cd 6.70476480 11.19734581 8.93843763 0.13191880 0.99037327 0.89850202 S 6.67744082 8.92780835 11.14112953 0.42714979 -0.93367751 -0.32556375 Se 4.46206105 11.18693983 11.16442180 -0.26851182 -0.53216352 -0.66249087 Se 8.96832926 8.88461595 8.99698210 -0.34306542 0.19033184 1.55522772 S 11.16659779 11.20352936 8.96515807 -1.03696567 -0.87343063 -0.64112857 Te 11.17629513 8.97269060 11.20955038 0.59975896 -1.14673931 0.18826045 Te 8.97164126 11.22426350 11.17345706 -0.89640264 0.84925386 -0.04833267