64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-32.83800710924131 stress="0.00015544446292933348 4.899254827567184e-05 1.0687592960488771e-05 4.899254827567184e-05 0.00020095833823355588 4.101743363771002e-05 1.0687592960488771e-05 4.101743363771002e-05 0.00016677976672074786" pbc="F F F" H 35.21487595 35.66010973 35.02527520 0.99872598 0.34432796 1.20860181 H 36.46308230 36.09045034 36.53578408 0.08152518 -0.70792924 -0.40572918 H 37.72287662 37.06094126 34.75042115 -0.15370957 -0.14410785 0.24200658 H 38.25322677 38.78238171 36.74028470 -0.74852471 4.15426087 0.76566580 H 37.84013519 35.03091681 37.43145323 -0.10628654 1.71395120 0.83176484 H 38.81152306 35.76128550 38.87894282 -0.72800578 -0.30015473 -1.83537849 H 35.37628871 37.74962926 37.65607387 1.16130737 0.29530623 0.50625010 H 36.70590173 38.80456606 38.82605785 0.24067397 -1.60171864 0.20920414 H 39.81339034 35.49163138 34.65999668 1.12044938 0.43280269 1.54961408 H 40.93522116 35.90578866 36.18746173 -1.32840893 0.13734186 -0.53984403 H 42.98532094 37.17818715 35.26981643 1.31891475 2.28089808 1.93704022 H 43.65941661 38.33068643 36.23690878 -1.60537466 -1.87834267 -1.61310971 H 42.51326362 34.87865640 37.73134874 0.06296055 0.57815323 0.20924439 H 43.30181361 36.57025101 39.02862907 -1.46634202 0.55871244 1.14354349 H 40.24993016 37.09152891 37.77539362 0.61703887 0.15066170 0.30680902 H 41.05484995 38.54743610 38.85142970 -0.97327096 -0.63446373 0.76099847 H 35.30601395 40.21531894 34.91769245 0.80139724 1.49640700 1.15107097 H 36.03292570 41.57264309 35.96177767 -1.97073705 0.28709397 1.00457527 H 38.27712091 42.28675788 34.54703522 0.06766150 0.28992398 0.29333939 H 38.66113643 43.93223207 36.21189349 0.23452352 -1.04177202 0.10614583 H 37.99685027 40.12455400 36.99977416 1.27072007 -3.36331277 -0.06336031 H 38.74303602 41.34877031 38.29590751 0.74946705 1.37028009 -2.80095336 H 35.39525894 42.54506684 37.13682156 1.29964702 -1.59908328 -1.86383482 H 36.22761206 43.72814922 39.00484992 0.26853769 -0.49482874 -0.05138156 H 39.90297989 39.99918609 35.26144300 -0.03334777 0.00044309 0.09185358 H 41.44635499 41.51938099 36.60564770 1.94758471 0.74828316 -2.49789316 H 42.26883187 42.01530835 35.42032358 -1.70529115 -0.77256578 3.01405319 H 43.46268037 43.83951957 36.10335124 -0.27638830 -0.42232379 -0.15812798 H 42.65389660 39.92857288 37.43629371 0.91114873 1.40407847 0.77285901 H 43.60688597 41.07845499 38.59897734 -1.09238462 -1.31807717 -1.33275119 H 39.37827574 42.14796191 37.15994348 -1.17748333 -0.96114561 2.23532540 H 40.43969178 43.67732094 38.57715979 -0.17335821 -0.25007248 -0.23150411 H 35.45683445 34.93224913 39.62318784 0.89221778 0.78774572 0.98342536 H 36.61902119 35.95835245 40.90417992 -0.17776145 -2.34170437 0.69184724 H 37.94980146 37.79968003 39.95820167 -0.72718230 1.50589484 -0.31857868 H 38.64377634 39.26739711 41.15019835 -0.00028657 -0.01597939 0.08477669 H 37.08038615 34.74235299 42.16847990 -0.63257577 1.66725230 -1.73347697 H 39.20675865 36.50108204 43.29922158 0.10341710 2.37640532 -2.26733904 H 34.96135882 37.10296040 43.26379413 0.94331557 1.15962386 0.09364022 H 36.26240128 38.70234021 43.39294486 -0.80441624 -0.99726963 -0.24425722 H 40.48450142 34.54339417 40.62082384 0.10036926 0.74889754 0.11537982 H 40.77688392 36.72212270 40.95689139 1.36724943 0.46049522 -0.61434794 H 42.27293335 37.42458714 40.27479808 -1.07103785 -1.58009137 -1.05731989 H 43.44067933 39.57876969 41.15028003 -0.58744152 0.09415927 0.98582732 H 42.24362179 34.76991428 42.68950711 1.55838911 1.55191477 0.67242469 H 43.52203637 36.04300994 43.24113307 -1.55840000 -1.55191617 -0.67243749 H 39.25729290 37.66230082 42.19129751 0.06451066 -1.88642893 1.35289693 H 41.62912391 38.45461784 43.28706234 1.94689678 2.84953288 -0.70747919 H 34.86204778 39.60028416 40.62237008 0.53107956 0.68364437 0.26154324 H 36.14311133 41.25085665 41.25453629 0.16247905 -0.80007933 1.34859637 H 37.86552680 42.45333875 39.99232312 0.78665300 1.67527060 0.41800319 H 38.73961088 43.87882103 40.83137826 -1.06803909 -1.74178987 -1.02523739 H 37.53469850 40.18948077 42.01331553 0.51730442 -0.32914587 -1.46283304 H 38.96092282 41.23918040 43.42717606 1.66581513 1.00920380 -1.52942475 H 35.22355317 42.29235731 42.70181805 1.88153602 0.57488609 0.13686532 H 36.31013070 43.45352564 43.73023129 -1.22926671 -1.31365277 -1.16346431 H 40.18519670 39.54167641 40.26902329 -0.79424702 -0.95728287 -0.14760709 H 41.55170100 41.27594550 41.14477985 -0.05818607 1.84063877 -0.10958066 H 42.15520039 42.82416640 40.47300258 2.79882844 -0.36330598 1.95275385 H 43.42760347 43.31669546 40.91888433 -3.46316837 -1.34054302 -1.21358053 H 42.47597691 39.69409626 42.97932560 -0.85688434 -1.59631290 0.00583788 H 43.25194958 41.46715574 43.38954432 -0.57175636 -1.30643522 -0.30225957 H 40.28064440 42.06459044 42.59515911 -0.86994688 -0.68209442 0.69183803 H 41.21300744 43.94722767 42.94271447 -0.46283474 -0.93456075 -0.17253010