108 Lattice="12.162924856389255 0.0 0.0 0.0 12.162924856389255 0.0 0.0 0.0 12.162924856389255" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.9424140874154 stress="-0.004271693921780625 -0.00018242249895301783 -0.0004160964167851223 -0.00018242249895301783 0.000247555313715088 7.167249636093915e-05 -0.0004160964167851223 7.167249636093915e-05 -0.00016571712917558493" free_energy=-636.9424140874154 pbc="F F F" Nb 0.01006458 0.00063662 0.00321322 1.18481904 1.41192270 0.88611324 Nb 2.06349298 2.01266292 0.00499479 -0.19712590 0.02632913 -0.53852691 Nb 1.99716734 0.02107870 2.01889696 -0.02991525 -0.67248475 -0.25594311 Nb 0.03852058 2.01487875 1.96760958 -0.69350743 0.16081711 0.03177767 Nb 4.07400960 0.03554834 0.01511819 -0.13759602 0.48147608 0.38839544 Nb 6.09344795 2.03952061 0.00720759 0.22892499 -0.34635232 -0.88477866 Nb 6.07338813 0.02665736 2.01358542 0.24800695 -0.88672724 -0.23261556 Nb 4.06323289 2.01690114 2.03924379 -0.27884832 -0.19528875 -0.45409244 Nb 8.13969282 0.00997289 0.03174097 -0.17617475 0.90164984 0.83464560 Nb 10.15721242 1.99067296 0.00550995 -1.13653227 0.58099446 1.03318284 Nb 10.14146532 0.01318531 2.00044755 -1.07834594 0.86508308 0.58528980 Nb 8.09185317 2.00304460 2.00930782 0.78437846 -0.51705919 -0.44717810 Nb 0.02198754 4.08622627 0.02772970 0.53934127 -0.39125485 0.56361608 Nb 2.02007210 6.07557763 0.01369037 -0.12426326 0.52415004 -0.79418902 Nb 1.99004388 4.07585134 2.00327023 -0.29490939 -0.31381632 -0.30341236 Nb 0.00442616 6.12346843 2.01493674 -0.73329513 -0.22538026 -0.09174425 Nb 4.06467724 4.08463350 0.02282135 -0.23839879 -0.19929695 -0.94407792 Nb 6.07016760 6.04512881 0.00685711 0.46705797 0.52909041 -0.83873648 Nb 6.10372406 4.00049788 2.04189992 -0.08259562 0.14271732 -0.30968487 Nb 4.07233973 6.06364648 2.05847262 -0.11217180 0.14665408 -0.41676512 Nb 8.08138398 4.06522454 0.00857198 0.64146281 -0.15619442 -0.69661746 Nb 10.15781102 6.07734618 0.00294789 -1.13927452 -0.23481015 1.02837455 Nb 10.11706465 4.02828588 2.04041849 0.66430493 0.08600289 -0.41531123 Nb 8.07151196 6.08629473 2.06274627 0.65874335 0.05182992 -0.66625567 Nb 0.03304206 8.14579606 0.02750452 0.88201288 -0.19943730 0.77187794 Nb 2.06416916 10.16620236 0.01581512 0.09141954 -1.15262925 0.84094104 Nb 2.04609127 8.12243252 2.00045460 -0.48029621 0.45980744 -0.41306297 Nb 0.02698648 10.10871348 2.04507746 0.80364689 -0.64865707 -0.08716045 Nb 4.09025213 8.17155177 0.03516907 -0.43050504 -0.08607176 -0.94466227 Nb 6.10997672 10.12994334 0.03992444 -0.12026333 -0.55852648 0.33001151 Nb 6.04508525 8.10663350 2.00718167 0.36491449 0.32704244 -0.20547347 Nb 4.07990857 10.13649731 2.06026605 -0.34230717 0.92996937 -0.31025402 Nb 8.10097847 8.13332420 0.02722207 0.27119262 -0.24045064 -0.68476840 Nb 10.11426498 10.13174110 0.01007394 -0.85203008 -1.13125600 0.92623921 Nb 10.11213404 8.10761644 2.04209030 0.57735624 -0.12536143 -0.12484053 Nb 8.13194308 10.09583432 1.95957039 0.11616608 0.70103434 0.26282596 Nb 0.03592519 0.02391496 4.01962839 0.28362549 0.31575215 0.35164019 Nb 1.98854352 2.02243723 4.09083735 -0.27865751 -0.10350848 -0.59616292 Nb 2.04019764 0.03419996 6.05619721 -0.44666672 -1.14212843 0.76245462 Nb 0.01568143 2.02843815 6.04742446 -1.05876408 -0.15643780 0.68494463 Nb 3.99935407 0.02022831 4.02017237 0.18455591 -1.19027756 0.00416831 Nb 6.05050562 2.03063144 4.09866304 0.31916300 -0.32435218 -0.35240426 Nb 6.07975327 0.03637432 6.04198958 0.19824720 -1.29433745 0.64840103 Nb 4.01945222 1.99828088 6.06265578 0.12142254 -0.04500322 0.38502400 Nb 8.08124139 0.02182139 4.07841395 0.41867443 -0.85802871 -0.40526569 Nb 10.12129563 1.97654245 4.05095112 0.65694169 -0.09906132 -0.02261008 Nb 10.15742226 0.02508471 6.10745546 -0.70852031 0.45270158 -0.64691483 Nb 8.11647342 1.99415450 6.10633399 0.61862951 -0.24414279 -0.11457266 Nb 0.00317425 4.02637724 4.09068280 -0.87623202 0.28024847 -0.42113178 Nb 2.04347751 6.04182598 4.01986080 -0.41092082 0.25764692 0.12884056 Nb 1.99929851 4.02401645 6.14451028 -0.27376125 0.29961665 -0.25022361 Nb 0.01253043 6.13959593 6.08397277 -0.97632190 -0.41924255 0.28379649 Nb 4.06923937 4.04599002 4.08780575 -0.32666975 -0.06650993 -0.16285239 Nb 6.08102387 6.05741104 4.09286102 -0.11919330 0.20216511 -0.32841680 Nb 6.12031721 4.04219829 6.07782216 -0.24798641 -0.18728085 0.24825846 Nb 4.02924202 6.06503787 6.12040457 0.02304505 0.29458145 -0.18890138 Nb 8.09173709 4.04438750 4.04461893 0.49925984 -0.31333179 -0.13615862 Nb 10.12847310 6.04230202 4.07794483 0.92032669 0.46575376 -0.45398702 Nb 10.09837312 4.04190160 6.07640325 1.09572921 0.00668735 0.21240179 Nb 8.08314556 6.04174482 6.05352747 0.67778968 0.42567943 0.38677897 Nb 0.01027005 8.11214956 4.05754295 -0.78694485 0.12566855 -0.15489989 Nb 1.98065682 10.13058969 4.04675909 -0.03471928 0.69751145 -0.08075648 Nb 1.98922214 8.07630855 6.05638914 -0.15164934 0.71259039 0.26419601 Nb 0.01500036 10.17159737 6.05572646 0.68646202 -0.70473301 0.92059956 Nb 4.08430636 8.12260095 4.06539065 -0.37941487 0.17034553 0.02000276 Nb 6.06198599 10.14210395 4.07044476 0.52990518 0.97945519 -0.30464416 Nb 6.11527143 8.12144560 6.04175105 -0.27949618 0.11768335 0.39870490 Nb 4.06012362 10.15856825 6.06330592 -0.31101774 0.72931660 0.37196001 Nb 8.08785623 8.10099871 4.06726492 0.61105952 0.48304996 -0.35813816 Nb 10.15538146 10.12022282 4.02140560 -0.98701635 -0.83641241 0.57072019 Nb 10.10363464 8.15254824 6.07666289 0.87124272 -0.08621209 0.40983746 Nb 8.08507926 10.09532177 6.06843373 0.58331613 1.18515031 0.24250151 Nb 0.02024176 0.02955076 8.10592281 0.81819964 0.80587138 -0.29711003 Nb 2.03816911 2.05078876 8.10049974 -0.56349905 -0.83576227 0.88455281 Nb 2.02794525 0.00051386 10.16502428 0.53898678 1.13990574 -1.38379989 Nb 0.01661756 1.96163236 10.15570205 0.98450647 0.41656066 -1.32845417 Nb 4.03183122 0.01768311 8.09276234 0.24272020 -0.62161440 0.47488805 Nb 6.10925346 1.99663103 8.08245233 -0.28922565 -0.24229463 0.73782041 Nb 6.12157941 0.02023164 10.13803256 -0.73164375 0.83630601 -0.98570745 Nb 4.03487927 2.03374245 10.13779436 0.21905054 -0.31260697 0.46256332 Nb 8.14738429 0.01999195 8.07985923 -0.16157654 -0.87305873 0.29215547 Nb 10.13133140 2.00846675 8.16177342 0.70384016 0.13312360 -0.12649340 Nb 10.09975559 0.01258453 10.11906346 -0.79959426 0.99102131 -0.86017968 Nb 8.12361524 2.01138446 10.09565733 -0.17872942 0.24219712 0.71927344 Nb 0.02301714 4.03569567 8.14752258 -0.89065790 0.01181259 0.19342592 Nb 2.02770787 6.09946380 8.13487783 -0.47005778 0.09406059 0.46352721 Nb 2.03185939 4.05524862 10.13481172 -0.30246498 -0.29363214 0.83136167 Nb 0.01649631 6.04339177 10.16368508 0.59142807 0.41239791 -0.79586005 Nb 4.06322841 4.08835800 8.08624228 0.05130101 -0.43341526 0.52039346 Nb 6.12506411 6.05950994 8.10672790 -0.07210386 0.31704590 0.34704329 Nb 6.04201786 4.08889399 10.15359717 0.71124038 -0.55180927 0.65169502 Nb 4.05841602 6.09371066 10.15396873 -0.23651581 0.08005901 0.83679570 Nb 8.09756152 4.05779173 8.07820831 0.60726404 -0.05050285 0.88370414 Nb 10.14706441 6.08965207 8.10565796 0.40016375 0.27405596 0.39692094 Nb 10.14067193 4.04707119 10.11226574 -1.07632542 0.62260748 -0.62402723 Nb 8.08443407 6.11376895 10.13993727 0.55362208 -0.17935329 0.37997948 Nb 0.03119878 8.08254518 8.11497208 -0.55586001 0.44826418 0.18343729 Nb 2.05360709 10.15059067 8.05561850 -0.16395888 0.18560485 0.40337309 Nb 1.95629010 8.08983576 10.14924909 0.21277241 0.36885183 0.16342198 Nb 0.03825137 10.14927512 10.16521271 1.18905321 -1.70570260 -1.80386592 Nb 4.04781776 8.11798725 8.07021683 -0.20265454 0.44098996 0.50283719 Nb 6.12863925 10.10243480 8.11847472 -0.25773660 1.01006015 0.24042733 Nb 6.04113196 8.12272713 10.10005238 0.52309059 0.21364667 0.88506692 Nb 4.08249099 10.09692742 10.12645278 -0.45916821 -0.54008421 -0.70373802 Nb 8.12137763 8.14689839 8.06873475 0.78382094 0.16402471 0.95329249 Nb 10.13182537 10.15557374 8.11982003 -0.91718742 -1.15129515 -0.47349081 Nb 10.15224503 8.14439018 10.16073184 -1.55457512 -0.72167446 -1.45324446 Nb 8.05704722 10.11893787 10.17401354 0.26163946 -0.87178053 -1.31231582