108 Lattice="10.461218652742048 0.0 0.0 0.0 10.461218652742048 0.0 0.0 0.0 10.461218652742048" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.9123560770962 stress="-0.015061734515804837 0.0008177019498520848 0.0004145733169009351 0.0008177019498520848 -0.013841352994295187 0.0013490697479735317 0.0004145733169009351 0.0013490697479735317 -0.014797338897651498" free_energy=-417.9123560770962 pbc="F F F" Ni 0.02268116 0.01760976 0.02792703 0.21892810 0.17874685 0.20597368 Ni 1.74785529 1.74405464 0.02764710 0.44869952 0.24859184 -0.55173121 Ni 1.77466579 0.01999518 1.74134414 -0.15005582 -0.67290219 0.35282107 Ni 0.02228472 1.73024662 1.76150846 -0.60262727 0.34998270 0.08018531 Ni 3.46403091 0.01142905 0.02883676 0.31316052 -0.16424158 -0.24042938 Ni 5.20151349 1.77063418 0.00195556 0.34410755 -0.28761978 -0.44615342 Ni 5.25750104 0.01488686 1.75927972 -0.20301100 -0.51283841 -0.15961186 Ni 3.50526817 1.71139857 1.76416539 -0.24714604 0.76230587 -0.29994472 Ni 6.98373759 0.02333326 0.03347621 -0.39411902 -0.00474247 -0.24399870 Ni 8.70096456 1.77840267 0.01500063 0.17991100 -0.08161565 -0.08258185 Ni 8.68803036 0.01573221 1.76281326 0.27273746 -0.21531803 0.13964408 Ni 6.99092783 1.72340704 1.76667366 -0.59599933 0.56442684 -0.12549060 Ni 0.02643350 3.43665007 0.01291414 -0.29467671 0.23913072 -0.12050034 Ni 1.73578391 5.20969793 0.00625579 0.34086595 0.12303409 -0.45196247 Ni 1.71517184 3.47866416 1.74412291 0.81976250 0.20321348 0.20655426 Ni 0.02576949 5.23816177 1.74224302 -0.62090240 0.00562226 0.00074276 Ni 3.51172636 3.51698925 0.01157751 -0.59898914 -0.44199089 -0.54170044 Ni 5.21132114 5.23557492 0.00806544 0.49114445 -0.04495356 -0.48663846 Ni 5.19939580 3.45548476 1.72506373 0.70366052 0.38119739 0.63423767 Ni 3.52105710 5.19599186 1.75662995 -0.50635084 0.50422344 0.32723162 Ni 6.97950541 3.46890758 0.02316637 -0.42611079 0.18713594 -0.42894579 Ni 8.69186804 5.23772845 0.03208410 0.40652674 -0.20907619 -0.25415438 Ni 8.71538718 3.46322277 1.75307182 0.50089805 0.35840504 0.22264266 Ni 6.98796666 5.23501985 1.72229984 -0.61225258 -0.23475747 0.69960450 Ni 0.03005319 6.99988867 0.00050828 -0.13728272 -0.69431931 -0.18119303 Ni 1.74761565 8.69452004 0.01829114 0.37537484 0.16108456 -0.27882264 Ni 1.75883248 6.94102290 1.72599834 0.18706420 0.14309746 0.47058926 Ni 0.01076997 8.68458855 1.70932986 -0.01028539 0.06949121 0.69851841 Ni 3.50433904 6.96775974 0.01942239 -0.26188533 -0.24772839 -0.53893761 Ni 5.20347333 8.73987384 0.04000964 0.30792153 -0.01385779 -0.24466547 Ni 5.23993707 6.99095097 1.71650320 -0.10503250 -0.26574948 0.65219953 Ni 3.45329112 8.72701825 1.71970775 0.31248035 0.31155706 0.48156014 Ni 6.99540161 6.94925479 0.02813704 -0.56301712 0.23790034 -0.71322721 Ni 8.71674353 8.68745501 0.03154529 -0.14566180 -0.20163500 0.15585480 Ni 8.70248841 6.96378692 1.76214610 0.50300341 0.10654746 0.31311693 Ni 6.98389993 8.70436118 1.73111986 -0.34104031 0.46116988 0.44171425 Ni 0.02266370 0.02839629 3.45903915 -0.11785921 -0.15137174 0.20660095 Ni 1.76579357 1.75811797 3.46313972 -0.21453611 0.00822944 0.46393692 Ni 1.72880070 0.00876972 5.20877305 0.31607561 -0.35290318 -0.03015824 Ni 0.00631197 1.76572281 5.25330114 -0.37073013 0.21752786 -0.37154055 Ni 3.51209456 0.01835281 3.46728116 -0.30558727 -0.87945415 0.23861711 Ni 5.20013918 1.75226118 3.49601139 0.72608300 0.24166828 -0.18288845 Ni 5.24621066 0.00953191 5.20891859 -0.06609104 -0.60684485 0.40434723 Ni 3.50184903 1.72027697 5.19799843 -0.38093745 0.42470379 0.72731501 Ni 6.94780855 0.01175523 3.48760801 0.19209924 -0.48832424 0.17122866 Ni 8.71269687 1.73428793 3.47013670 0.48125089 0.20556178 0.44375909 Ni 8.70138663 0.01081683 5.25839641 0.04835085 0.04649252 -0.27553562 Ni 6.95584956 1.76603738 5.21063849 0.40379626 -0.05538640 0.15982479 Ni 0.01320387 3.51752525 3.47277772 -0.50962032 -0.27328341 0.24666360 Ni 1.74016872 5.25712740 3.50762630 0.56050286 -0.35513739 -0.41809704 Ni 1.74480755 3.50111705 5.22028842 0.19858752 -0.18381206 0.42037949 Ni 0.02654804 5.26031111 5.23769819 -0.59669380 -0.33395205 0.17074897 Ni 3.48706939 3.46773035 3.50792633 0.00092896 0.42992530 -0.28624849 Ni 5.23571138 5.24674447 3.51542610 0.12811933 -0.38093230 -0.57744411 Ni 5.25212100 3.47822809 5.25348846 -0.27541043 0.09315672 -0.23740962 Ni 3.50401350 5.23323988 5.20811358 -0.43587371 -0.21819017 0.45505901 Ni 6.98604023 3.48941328 3.46219675 -0.39148581 0.15484290 0.20701029 Ni 8.71963652 5.26432929 3.48343320 0.21590803 -0.23321314 0.04016418 Ni 8.73107361 3.51432547 5.20108571 0.26618078 -0.25577749 0.24685356 Ni 6.95537363 5.22080421 5.26105568 0.18240148 0.10611735 -0.39775502 Ni 0.01591423 6.94728785 3.49832838 -0.51163896 0.36987012 -0.37075019 Ni 1.76570922 8.74191344 3.45682272 -0.13532901 0.15143865 0.14790383 Ni 1.74007176 6.99987113 5.19690358 0.62146121 -0.26926513 0.42293481 Ni 0.01825989 8.68642686 5.25536751 -0.14106562 0.36934161 -0.34652731 Ni 3.51608690 6.99916379 3.49372132 -0.38276166 -0.35833421 -0.37570214 Ni 5.20383662 8.73144122 3.50371159 0.42318039 0.38793875 -0.36102957 Ni 5.19925601 6.95154098 5.25123012 0.51414027 0.34329558 -0.01202553 Ni 3.51081881 8.73536687 5.22500589 -0.27162599 0.31182394 0.27337749 Ni 6.94330732 6.98281737 3.50541808 0.09913260 -0.07047927 -0.14490622 Ni 8.70029641 8.74965339 3.49320131 -0.14411128 -0.20362931 -0.00848054 Ni 8.70430270 6.98151876 5.22620341 0.31707449 -0.09822649 0.07673708 Ni 6.95495354 8.70222977 5.25934476 -0.19807745 0.42208488 -0.18814602 Ni 0.02766826 0.02688742 6.97021113 -0.33081645 -0.30448157 -0.30266783 Ni 1.71878298 1.71602761 6.98039613 0.63539658 0.91027370 -0.42068419 Ni 1.74909111 0.01403780 8.68908633 0.25656999 -0.22713401 0.32397680 Ni 0.02489592 1.74790557 8.70701910 -0.10296371 0.34943392 0.18604164 Ni 3.45605124 0.01258064 6.96182202 0.38039604 -0.41055440 -0.21970371 Ni 5.25007668 1.72013219 6.96027738 -0.35379962 0.18033648 0.01700720 Ni 5.20815657 0.01839288 8.73921597 0.03761580 -0.01806618 -0.22806135 Ni 3.46104149 1.75980620 8.71032158 0.18984987 0.02054357 0.41027378 Ni 7.00830492 0.02205918 6.97902209 -0.86751727 -0.47313184 -0.31757478 Ni 8.71448207 1.74287841 6.98950922 0.39646742 0.52379997 -0.47852262 Ni 8.68701583 0.02203218 8.66870654 -0.03288879 0.12158739 0.18503466 Ni 6.92770000 1.75891092 8.70963663 0.24287171 0.10019040 0.53838281 Ni 0.00712402 3.50349275 7.00566594 -0.31692937 -0.15670124 -0.58494674 Ni 1.72868574 5.25355514 6.99610224 0.51830283 -0.11872036 -0.55877448 Ni 1.75070536 3.52046942 8.72989402 0.21769825 -0.47363840 0.28344798 Ni 0.02861581 5.20721441 8.70924296 -0.29423973 0.50191358 0.22987165 Ni 3.51574045 3.46686194 6.99673071 -0.70351399 0.03736669 -0.80475205 Ni 5.22286030 5.21510192 6.98483216 0.17080282 0.11549759 -0.22451190 Ni 5.21492557 3.49809267 8.68802908 0.38282256 -0.18486891 0.73948896 Ni 3.48967349 5.21032171 8.69842838 -0.06200285 0.38242500 0.65355807 Ni 7.00175628 3.47435472 6.98560567 -0.37177742 0.14976469 -0.35217788 Ni 8.70489952 5.25515702 6.97282722 0.63811415 -0.12433302 -0.37698438 Ni 8.70330097 3.51131979 8.69554017 0.15316106 -0.20378010 0.21400051 Ni 6.99973218 5.26093351 8.68344743 -0.51870794 -0.31736549 0.75145239 Ni 0.00843065 6.99413196 6.95730942 -0.29598703 -0.33636614 0.34665750 Ni 1.76793779 8.69827237 6.95336844 0.24332711 0.36592156 0.20820007 Ni 1.74992574 6.98125073 8.74884665 0.16481368 -0.17145464 0.10655984 Ni 0.02526047 8.73434781 8.72164881 0.38766474 -0.36998456 -0.44848928 Ni 3.50268107 6.94208533 6.97247658 -0.32427154 0.33340831 -0.02679071 Ni 5.23394214 8.73346401 6.99588995 0.06318103 0.19859393 -0.24766650 Ni 5.23926578 6.97469332 8.72044588 0.02359384 -0.28520421 0.39852184 Ni 3.51832760 8.69067715 8.71873762 -0.30566090 0.08998577 0.01276258 Ni 6.95460109 6.95514349 6.97844174 0.05246991 0.45703257 -0.15802906 Ni 8.70190267 8.73581182 6.96704384 -0.11565486 -0.18434942 -0.18936653 Ni 8.71890007 6.98228426 8.70573066 0.04345204 -0.13605981 -0.05300861 Ni 6.99109069 8.71864422 8.74825702 -0.35747907 -0.16090155 -0.24384451