108 Lattice="10.33854574014709 0.0 0.0 0.0 10.33854574014709 0.0 0.0 0.0 10.33854574014709" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.6264798927926 stress="-0.005735685312601642 -0.0009512846234005648 -0.0005500677245074629 -0.0009512846234005648 -0.005277415671948617 -0.0008395293607479083 -0.0005500677245074629 -0.0008395293607479083 -0.0055351938315732815" free_energy=-531.6264798927926 pbc="F F F" Ni 0.01506231 0.01918146 0.02849915 0.20265763 0.20866469 0.14822819 Ni 1.71366464 1.75052966 0.00112074 0.55109182 0.11788074 -0.48103706 Ni 1.73732206 0.03434677 1.70790727 0.19386900 -0.53671193 0.36632305 Ni 0.03357927 1.73809569 1.70626326 -0.69933136 0.04925316 0.52395650 Ni 3.47277943 0.01408445 0.00336503 -0.14997691 0.25458761 0.04641155 Ni 5.16582969 1.74385623 0.00989672 0.11303890 0.13788430 -0.36329808 Ni 5.13882126 0.01197860 1.69174651 0.17348877 -0.47243791 0.42686789 Ni 3.45637396 1.71933861 1.72492903 -0.20135553 0.16821223 -0.11174845 Ni 6.89580670 0.00267653 0.00982494 -0.22750218 0.25338692 0.11847917 Ni 8.64027428 1.74342220 0.00776763 -0.31487760 0.19363364 0.22263962 Ni 8.63333552 0.00436439 1.70156748 -0.19837632 0.23631940 0.33921902 Ni 6.89985924 1.69193870 1.72854808 0.08689110 0.26898803 -0.22784776 Ni 0.00766694 3.42475714 0.01531150 0.20343312 0.40380905 0.12704260 Ni 1.75123839 5.18100575 0.00018352 -0.07289123 -0.31929688 -0.40050965 Ni 1.70170753 3.45743197 1.75487738 0.27676501 -0.07260154 -0.52809878 Ni 0.01583050 5.18149940 1.71208023 -0.40032359 -0.10055142 0.06480275 Ni 3.47742374 3.46194864 0.02514892 -0.15808626 -0.10389935 -0.43524843 Ni 5.16252331 5.18650675 0.01943807 0.19814472 -0.23695360 -0.51446576 Ni 5.19863277 3.47711658 1.74701351 -0.17186854 -0.56337717 -0.47862914 Ni 3.43400733 5.14776982 1.69751803 0.19110171 0.24790880 0.21891735 Ni 6.90803945 3.46319180 0.00274897 -0.15613245 -0.12696307 -0.26095017 Ni 8.60302435 5.18041683 0.03710908 0.00380329 -0.33388911 -0.08597635 Ni 8.64381964 3.44718028 1.74308425 0.18346946 0.04149274 -0.10297625 Ni 6.89418249 5.15196790 1.71311708 0.26332386 0.22946675 -0.06699387 Ni 0.03017056 6.87895423 0.00758167 -0.01126625 -0.23895620 0.05634496 Ni 1.69562591 8.58977397 0.01455438 0.52980063 -0.09267583 0.07777097 Ni 1.74626360 6.89238916 1.71941008 -0.29687060 0.04296058 -0.10224842 Ni 0.00955743 8.60431012 1.71173479 0.12345351 -0.18043965 0.36922627 Ni 3.47907104 6.87450247 0.01961391 -0.14934573 0.25824350 -0.50137338 Ni 5.19283143 8.62073961 0.00227034 -0.24718227 -0.20898854 0.20201786 Ni 5.19071157 6.91954650 1.69069730 -0.15275689 -0.09804949 0.28531256 Ni 3.43318804 8.60561508 1.74931687 0.21996693 0.45668550 -0.18981589 Ni 6.91608681 6.89763721 0.00272849 -0.31829949 -0.10733201 -0.47350166 Ni 8.60421915 8.63408488 0.00960143 -0.30704209 -0.29008177 0.34382649 Ni 8.62474993 6.86239174 1.69210762 0.34746040 0.26895524 0.40045871 Ni 6.87068210 8.63917012 1.72804428 0.16091073 0.24591304 0.10939257 Ni 0.02843569 0.02415619 3.47885299 0.13710437 0.10055266 -0.22656585 Ni 1.70496264 1.74249975 3.46878031 0.17755676 -0.07964732 -0.46470460 Ni 1.75664702 0.02989248 5.13867052 -0.10263232 -0.50520078 0.30353189 Ni 0.03408094 1.73001746 5.15087535 -0.74731780 0.17263000 0.11265389 Ni 3.42553422 0.02071933 3.46462565 0.20745249 -0.49341479 -0.21472181 Ni 5.14899224 1.68694377 3.45596867 0.38949840 0.16378299 -0.16151852 Ni 5.14011306 0.01053367 5.17925547 0.10675443 -0.38604580 -0.08614555 Ni 3.45234929 1.75408642 5.15169697 -0.11792527 -0.45156594 0.22283539 Ni 6.89796542 0.01161374 3.43637295 -0.16874238 -0.36698024 0.19400539 Ni 8.62203757 1.74799525 3.44519895 0.23096402 -0.27445182 0.14434902 Ni 8.58447275 0.00213477 5.17181477 -0.17231532 0.34573774 -0.12568671 Ni 6.85996449 1.73517906 5.20225283 0.32874985 -0.31772538 -0.38739490 Ni 0.00710910 3.47760798 3.42532419 -0.54295487 -0.11464641 0.32369035 Ni 1.71540934 5.16020354 3.44810859 0.03184542 0.09789940 0.16057371 Ni 1.71270778 3.42215001 5.19365797 0.04757240 0.36554096 -0.41195859 Ni 0.02220942 5.15242958 5.18435409 -0.46772873 0.16648591 -0.34267097 Ni 3.47932376 3.45741551 3.45076999 -0.42396422 -0.08447625 -0.12170335 Ni 5.18022503 5.15093063 3.43020888 -0.07812764 0.44199966 0.19851614 Ni 5.14784859 3.46231458 5.18195411 0.48821871 -0.20923335 -0.32567707 Ni 3.45818865 5.14382670 5.20596044 -0.34541327 0.30576075 -0.50035465 Ni 6.90681608 3.44966791 3.42952188 0.09446699 -0.08863072 0.29313187 Ni 8.64797337 5.17665295 3.41529708 0.13047957 -0.15299064 0.44901531 Ni 8.58524820 3.41297608 5.15529931 0.44626980 0.43394280 0.11589232 Ni 6.89842368 5.18092905 5.19746287 0.21648301 -0.09891970 -0.37562643 Ni 0.03135764 6.89467756 3.43393869 -0.43066996 -0.25634543 0.21634379 Ni 1.71085792 8.60879589 3.45886001 0.28466668 0.32029312 -0.04887460 Ni 1.74344367 6.87165550 5.20987402 -0.18241537 0.16493868 -0.42356800 Ni 0.03176418 8.60495126 5.13548383 0.09420242 -0.20169935 0.11126061 Ni 3.42408727 6.87503643 3.41861457 0.35413363 0.28226540 0.39660206 Ni 5.17982961 8.63591040 3.42231338 -0.26768930 0.03285283 0.41090645 Ni 5.13282616 6.89171127 5.17274182 0.36073878 0.32071799 -0.31770127 Ni 3.41479904 8.63152312 5.18008776 0.27891286 0.16295242 -0.29858861 Ni 6.90357877 6.86184800 3.42355020 0.07373697 0.37635169 0.23936756 Ni 8.59141849 8.59317050 3.42870495 -0.04174578 -0.25258350 0.00339337 Ni 8.63786979 6.88676386 5.19096941 0.10640536 0.10387425 -0.23953714 Ni 6.91325804 8.62458001 5.12671990 -0.24671809 0.02867446 0.16464761 Ni 0.03390916 0.02599380 6.89230981 0.14190537 0.12861089 -0.26031835 Ni 1.70507473 1.73883589 6.89585917 0.13762430 -0.33564746 0.18599167 Ni 1.71877361 0.00369495 8.63779890 0.29624741 0.24716078 -0.29471333 Ni 0.02606728 1.73642060 8.64382158 0.15255379 0.25467299 -0.29788047 Ni 3.42653955 0.00232958 6.86554840 0.18195122 -0.17369941 0.28923264 Ni 5.13872617 1.75190334 6.90607045 0.15937186 -0.67280769 0.13026515 Ni 5.20085266 0.02504981 8.63230211 -0.42959954 0.21829238 -0.39343128 Ni 3.42242818 1.74756634 8.61127297 0.27599327 -0.31279788 0.38535008 Ni 6.88666185 0.01010249 6.88692600 -0.24927708 -0.47851004 -0.14991798 Ni 8.62132043 1.72078240 6.91778135 0.35559080 0.22079052 -0.34647000 Ni 8.60769384 0.00030681 8.61363551 -0.26998703 0.20336931 -0.25830704 Ni 6.89310035 1.70049142 8.59525456 -0.08533622 0.45613617 0.60992854 Ni 0.02869012 3.46856730 6.86690385 -0.68099021 -0.15122815 0.46225986 Ni 1.71146081 5.13650154 6.90285499 0.13854519 0.28108242 0.30694975 Ni 1.75689900 3.43678881 8.63347368 -0.31024114 0.24034733 0.25946263 Ni 0.00400242 5.20093594 8.63636396 0.26802582 -0.34811646 -0.36975365 Ni 3.46220796 3.42533888 6.87513900 -0.39256674 0.22874956 0.61042201 Ni 5.14379133 5.14140784 6.87223871 0.29332243 0.34887924 0.77444356 Ni 5.16304909 3.43699088 8.62171058 -0.11950185 0.17034841 0.43324371 Ni 3.42079955 5.14405231 8.64441711 0.29123520 0.08941249 0.10035113 Ni 6.86321663 3.42842805 6.90393697 0.60656203 0.26835091 0.21331377 Ni 8.62240212 5.19310234 6.87823011 0.23208801 -0.59558186 0.04795727 Ni 8.63564472 3.44482843 8.64152561 -0.42705250 0.15932533 -0.45714687 Ni 6.89441821 5.15053441 8.61471789 -0.13236027 -0.00917090 0.24427034 Ni 0.01559991 6.89587437 6.87993744 -0.66174854 -0.26351291 -0.16561171 Ni 1.71506769 8.59033448 6.90098962 0.33118696 0.65407493 -0.12434956 Ni 1.69433355 6.88398453 8.58624902 0.64845978 -0.11244085 0.65174227 Ni 0.01989010 8.59679983 8.63091913 0.15368703 -0.22102138 -0.23697509 Ni 3.46342768 6.89000665 6.90660416 -0.25045876 0.16233098 0.29364962 Ni 5.17192239 8.61465297 6.86019545 -0.02404215 0.38029717 0.11031473 Ni 5.14312685 6.89116036 8.61674860 0.11207775 -0.16494715 0.30890722 Ni 3.47877031 8.64750945 8.63058489 -0.07752843 -0.44324437 -0.45235667 Ni 6.87273868 6.88975211 6.91119293 0.17696966 0.28296115 0.01719638 Ni 8.59097336 8.63628166 6.92180068 -0.29950822 -0.33672660 -0.29678902 Ni 8.63838872 6.86035943 8.58865074 -0.34700967 0.01734541 -0.10344670 Ni 6.87297794 8.63992429 8.64262117 -0.23522743 -0.44682200 -0.33802162