108 Lattice="10.603628721733536 0.0 0.0 0.0 10.603628721733536 0.0 0.0 0.0 10.603628721733536" Properties=species:S:1:pos:R:3:forces:R:3 energy=-322.3807165804489 stress="-0.006362451749279432 -0.0004968082374359663 -0.0001577862816621603 -0.0004968082374359663 -0.006484323753747941 -0.0002664693061004874 -0.0001577862816621603 -0.0002664693061004874 -0.006162566736966153" pbc="F F F" Cu 0.01261282 0.00909758 0.00254783 0.45968664 0.43776805 0.46061664 Cu 1.74821347 1.78976947 0.00648661 0.11735039 -0.22584642 -0.23935743 Cu 1.77111539 0.01656912 1.77934457 -0.07790169 -0.27977437 -0.26340599 Cu 0.01660674 1.75949561 1.76777657 -0.22272601 0.04528796 0.00866071 Cu 3.56527434 0.01500842 0.00355610 -0.33258139 -0.01373849 -0.00270200 Cu 5.29579371 1.73907324 0.02011307 0.31952986 0.16930648 -0.57087619 Cu 5.28685316 0.01253041 1.75570261 0.29511789 -0.50471482 0.15022731 Cu 3.56064738 1.76685463 1.71727909 -0.56810005 0.11442134 0.35076133 Cu 7.09472659 0.00601900 0.01026232 -0.19657209 0.17203168 0.17398027 Cu 8.84000806 1.74787457 0.00908017 -0.10636425 0.16129671 0.13224150 Cu 8.84414095 0.01939531 1.74036179 -0.15691854 0.19593520 0.30497986 Cu 7.07240847 1.76863601 1.78445877 0.00836754 -0.20018015 -0.07344943 Cu 0.04838933 3.56136858 0.01203787 -0.11965123 -0.09221902 0.03496046 Cu 1.79167821 5.29130641 0.02054276 -0.07839663 0.38201815 -0.31719172 Cu 1.77090422 3.56661315 1.75936846 0.24044778 -0.39235853 0.31731508 Cu 0.00400764 5.27786722 1.80245136 -0.21470695 0.42161700 -0.27271826 Cu 3.53048432 3.53438351 0.00061528 0.05943559 -0.02334501 -0.47554553 Cu 5.28878981 5.35263746 0.03020663 0.20277131 -0.30290641 -0.45196434 Cu 5.28704760 3.50480927 1.74507739 0.29076584 0.33648832 0.10591069 Cu 3.54525719 5.29554277 1.75629793 -0.03070506 0.11432114 0.25406045 Cu 7.09599743 3.49475521 0.01865329 -0.21032488 0.23418378 -0.23357705 Cu 8.83295873 5.28905024 0.01613415 -0.21929045 0.01344209 0.20694096 Cu 8.81717262 3.49973545 1.80233580 0.39646967 0.25379039 -0.23465032 Cu 7.05017153 5.34028356 1.77957031 0.18598945 -0.28849315 -0.15591212 Cu 0.03286849 7.08575071 0.03143470 0.12928333 -0.35992983 0.14348635 Cu 1.74778630 8.82949422 0.04927650 0.21312287 0.01200517 -0.11430033 Cu 1.79889375 7.10173744 1.79092289 -0.48284731 -0.48299406 -0.25400943 Cu 0.00697044 8.82839340 1.73349372 0.09208643 -0.11255113 0.42206172 Cu 3.54399446 7.09996902 0.01868429 -0.13860673 -0.07156496 -0.42139860 Cu 5.32213664 8.85326255 0.00650670 -0.07390735 -0.07980612 0.09794901 Cu 5.29581210 7.09668870 1.76722365 0.00839255 -0.06825112 0.13309165 Cu 3.51110189 8.81308701 1.76838774 0.32089903 0.70537119 -0.02553510 Cu 7.06222105 7.09263238 0.00635669 0.14903605 -0.10537632 -0.30843484 Cu 8.82342473 8.83785528 0.02854752 -0.36767126 -0.36577391 0.34125186 Cu 8.84943191 7.07133531 1.74662600 0.20447203 -0.00554603 0.03803050 Cu 7.06511742 8.81918038 1.75129585 0.14175309 0.39262122 0.13611161 Cu 0.00282904 0.01451569 3.55632838 0.09292330 0.14525596 -0.07653351 Cu 1.80209707 1.74110645 3.54036047 -0.25638001 0.46138366 -0.24887592 Cu 1.76175613 0.00128321 5.28877377 0.14332460 -0.25970833 0.22167775 Cu 0.03198897 1.80702042 5.30730876 -0.38740635 -0.18420557 -0.25535084 Cu 3.50635625 0.02584502 3.51662877 0.21960338 -0.57942657 0.05019627 Cu 5.26673923 1.74683885 3.50152830 0.44272428 0.16860635 0.32671221 Cu 5.30041280 0.00080334 5.31302126 0.08576345 -0.34462842 -0.16463196 Cu 3.55082537 1.78028944 5.28378861 -0.13915185 -0.22042172 0.21196228 Cu 7.10012371 0.03218364 3.54933937 -0.13290902 -0.35435391 -0.15760029 Cu 8.83904407 1.79929964 3.56631956 0.36885920 -0.17353823 -0.18011636 Cu 8.86210657 0.05671098 5.30265506 -0.07071912 -0.12827562 0.10201682 Cu 7.08751394 1.74761798 5.31802968 -0.29357080 0.20319332 -0.17532134 Cu 0.02924590 3.55371848 3.50291617 -0.33001323 -0.31757646 0.19049634 Cu 1.76685077 5.33017818 3.56378429 0.14499872 -0.10431597 -0.33734721 Cu 1.78530240 3.54255194 5.28640115 -0.07507590 -0.23016473 0.02998509 Cu 0.02689690 5.28605525 5.29727491 -0.43889727 0.09222243 0.15844623 Cu 3.56918734 3.55243397 3.56898336 -0.29682147 -0.19115073 -0.51408738 Cu 5.31192040 5.29001803 3.56248676 -0.07470969 0.33738226 -0.27882793 Cu 5.31511564 3.55461273 5.33176259 0.11785019 -0.45616766 -0.37264806 Cu 3.50955588 5.28022977 5.29845704 0.15861797 0.52811952 0.17652090 Cu 7.08508799 3.54776788 3.52697885 -0.27218386 -0.14332350 0.13261121 Cu 8.85471646 5.31380587 3.53898499 0.16996859 0.08958497 -0.04598522 Cu 8.83923162 3.54911746 5.30757766 0.24312140 0.10808679 0.11184681 Cu 7.04838062 5.29820956 5.31571599 0.45636417 0.16358192 -0.05954362 Cu 0.02193529 7.05697632 3.53599033 -0.34879730 0.24653768 -0.05512789 Cu 1.79168290 8.84106007 3.53603870 -0.43070156 0.42718387 -0.05314585 Cu 1.74679317 7.09667426 5.32089831 0.04601128 -0.29516712 -0.02516332 Cu 0.01398275 8.84370248 5.32073438 0.06542307 -0.12816109 -0.04620115 Cu 3.50411274 7.08865137 3.50117954 0.44770009 -0.34565647 0.41717345 Cu 5.31528389 8.82886424 3.54782975 -0.05671775 0.35470234 -0.06682272 Cu 5.31360521 7.08236219 5.32675155 -0.16476850 -0.15269038 -0.32980960 Cu 3.50632499 8.80195697 5.27216150 0.12493318 0.56498079 0.06823413 Cu 7.07895517 7.09291469 3.51554514 0.08027491 -0.11611918 0.30107143 Cu 8.85154354 8.81058171 3.53325955 -0.19831521 -0.12444768 0.00104575 Cu 8.84676460 7.06135026 5.33547313 0.08267754 0.12820638 -0.06585316 Cu 7.06404670 8.84870053 5.33400375 0.15655893 0.18033482 -0.05680130 Cu 0.00935577 0.02281761 7.03843801 0.15508841 0.19214721 0.04996671 Cu 1.75525113 1.77438138 7.06286963 0.27919923 -0.07773338 -0.01704060 Cu 1.80895983 0.05133442 8.80109640 -0.20793329 -0.15095860 -0.07013718 Cu 0.01681743 1.75474820 8.86651426 0.14970801 0.06597230 -0.29347139 Cu 3.56525124 0.01294325 7.07421749 -0.33958527 -0.25880832 -0.23511197 Cu 5.29841703 1.75155893 7.04719890 0.10289864 -0.01061487 0.23643211 Cu 5.28532365 0.00166211 8.78989156 0.12707702 0.12262427 0.14631069 Cu 3.50275605 1.74879067 8.86786848 0.24419909 0.19796810 0.13214355 Cu 7.06785243 0.00731823 7.10255751 0.18925553 -0.30245009 -0.21429964 Cu 8.83994421 1.78201382 7.03836824 0.30421568 -0.01623963 0.39722961 Cu 8.81207320 0.01529497 8.85923699 -0.31244372 0.41229889 -0.48261636 Cu 7.10438717 1.75292111 8.82243139 -0.13742785 0.15929793 0.27831458 Cu 0.02875289 3.50228972 7.04813740 -0.45620225 0.14094855 0.28380529 Cu 1.77385349 5.24563929 7.08357167 0.11292572 0.30157092 -0.07783134 Cu 1.76089916 3.50816191 8.85348766 0.11923114 0.03336254 0.22093123 Cu 0.03135018 5.29932732 8.82456662 -0.01227006 -0.10089481 -0.06282114 Cu 3.56491991 3.50018030 7.05745939 -0.42690652 0.09049345 0.29085289 Cu 5.29651946 5.27554991 7.04961601 -0.12201856 0.37850462 0.46322578 Cu 5.27611262 3.49924425 8.80548346 0.16103704 0.10250404 0.47830061 Cu 3.51317350 5.32729706 8.86228314 0.12835520 -0.16288246 0.06238439 Cu 7.04686091 3.50514894 7.06973821 0.45928835 0.24400932 0.27198721 Cu 8.84521494 5.33005965 7.09128092 0.07760064 -0.27605384 -0.04003351 Cu 8.87065898 3.54799219 8.86635696 -0.33828474 -0.05657725 -0.36507737 Cu 7.07101141 5.31703122 8.85720126 0.00634562 -0.26711997 0.07712084 Cu 0.02904716 7.05686175 7.08245781 -0.37515422 0.04164526 -0.09113222 Cu 1.76728185 8.84032888 7.06342207 -0.02703270 0.36239638 0.16447278 Cu 1.75732075 7.04986305 8.80343717 0.12766786 0.23067222 0.34383498 Cu 0.02490961 8.82027655 8.83539899 0.42741851 -0.40543645 -0.42957550 Cu 3.51909040 7.09856908 7.04570577 0.03862008 -0.38450783 0.39326057 Cu 5.23640141 8.83533468 7.04521304 0.28028159 0.31474525 0.33572586 Cu 5.32513589 7.04182866 8.85952184 -0.26851433 0.25118752 0.01321409 Cu 3.50093729 8.86983952 8.85503038 0.04356574 -0.37883285 -0.21991696 Cu 7.04555147 7.06509994 7.06818637 0.18505318 0.17771502 0.21568663 Cu 8.82579869 8.85433753 7.10257932 -0.24550413 -0.30237913 -0.11260772 Cu 8.83881705 7.05870433 8.82698968 -0.26000353 0.08582636 -0.14931064 Cu 7.05125562 8.83918994 8.84078447 -0.10801597 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