108 Lattice="10.633392490328067 0.0 0.0 0.0 10.633392490328067 0.0 0.0 0.0 10.633392490328067" Properties=species:S:1:pos:R:3:forces:R:3 energy=-314.1736763243142 stress="0.5139163113142229 0.12569490661493798 -0.6443642516186534 0.12569490661493798 0.023823497019500373 0.6283739031317976 -0.6443642516186534 0.6283739031317976 0.2755342548547395" pbc="F F F" Cu -0.00114405 0.00012671 0.01675937 0.52922544 0.54596786 0.46665189 Cu 1.80619612 1.77698872 -0.00516873 -0.37999790 -0.10132132 -0.22620414 Cu 1.74061589 -0.01658300 1.75925497 0.17869188 -0.24007912 -0.08585942 Cu -0.00510041 1.75554200 1.77215512 -0.29973508 0.00192791 -0.23813450 Cu 3.53594182 0.00053888 -0.00626488 0.01938581 0.17586931 0.25126052 Cu 5.34275353 1.75575016 -0.02497637 -0.15577395 0.01842936 -0.30584215 Cu 5.32605306 0.02300896 1.80558149 0.07954724 -0.43493832 -0.29759106 Cu 3.56281905 1.78098204 1.73793400 -0.26321081 -0.06556746 0.14749894 Cu 7.06852843 0.02998643 -0.01600545 0.11145778 0.26801894 0.36818478 Cu 8.89483977 1.75205852 -0.01942899 -0.39032834 0.07143104 0.43771976 Cu 8.86768597 0.02872875 1.75117139 -0.44292107 0.31808495 0.04527148 Cu 7.07001850 1.80636532 1.76651645 0.29517858 -0.26114799 0.12597821 Cu -0.03396056 3.56429587 -0.00074208 0.34333294 -0.07990715 0.26777107 Cu 1.77729778 5.35041989 -0.00658438 -0.07918165 -0.01047621 -0.20639463 Cu 1.74431467 3.57105463 1.76671262 0.14260547 -0.15835954 -0.06340046 Cu -0.00684868 5.34785792 1.76237923 -0.35370721 -0.02657492 -0.10758248 Cu 3.51043860 3.53178622 -0.02877409 0.09371214 0.09824133 -0.29034221 Cu 5.34235674 5.28986135 0.03174504 0.08663797 0.08876123 -0.50122888 Cu 5.30678205 3.56749499 1.74490754 0.17476898 -0.28048828 0.14555164 Cu 3.57543403 5.29625210 1.80451392 -0.55236651 0.17202421 -0.21595487 Cu 7.11490628 3.48992939 0.01081556 0.16277310 0.19915873 -0.39170048 Cu 8.88457987 5.33762868 -0.02983204 -0.29247480 -0.04723244 0.32282879 Cu 8.87702550 3.57453913 1.79538355 0.35388679 -0.26415959 -0.21576951 Cu 7.11729135 5.29779724 1.79805484 -0.11805741 0.22443621 -0.29061195 Cu -0.02533854 7.05835920 -0.03419732 0.44189172 0.15628214 0.42729337 Cu 1.79406065 8.88073678 -0.00780323 -0.12236148 -0.51048130 0.38614103 Cu 1.74105520 7.11710026 1.79488878 0.09390406 -0.13463053 -0.38695291 Cu -0.02565201 8.83715258 1.80699201 0.37032287 -0.26578109 -0.17360212 Cu 3.57636398 7.05657287 0.03461577 -0.20968266 0.17786853 -0.41669514 Cu 5.30926050 8.88390386 -0.01360588 0.11190676 -0.35386811 0.34710827 Cu 5.29092075 7.08548496 1.77053390 0.41436590 0.18780676 -0.09770375 Cu 3.51322054 8.84564879 1.76015983 0.09772728 0.48086356 -0.05836679 Cu 7.11584767 7.06623902 -0.01677309 -0.05171929 0.19853482 -0.11169094 Cu 8.88143023 8.86085185 0.02937771 -0.56981186 -0.55871502 0.53269047 Cu 8.87279132 7.09163359 1.78140201 0.36813649 -0.00646269 -0.17516148 Cu 7.09946115 8.82692838 1.80257431 0.01164914 0.41321523 -0.39145948 Cu 0.04784918 -0.00017357 3.56553506 -0.05320681 0.04812335 -0.07529538 Cu 1.73732105 1.74274594 3.51747390 0.49010510 0.20817734 -0.00764939 Cu 1.74059391 0.01954958 5.34568852 0.17246458 -0.49987917 -0.16080336 Cu 0.03393237 1.78500264 5.33499417 -0.59818972 -0.00310275 0.04378542 Cu 3.57598943 -0.00616914 3.55656340 -0.39803497 -0.29862988 -0.11071690 Cu 5.28902895 1.76867226 3.52352594 0.30064454 0.21906694 0.08946568 Cu 5.30864401 0.03115784 5.30844721 0.11796548 -0.42198647 0.27597344 Cu 3.54722654 1.77248882 5.34169926 -0.17573279 0.12676886 -0.16649845 Cu 7.07384257 -0.01739538 3.57866976 0.16054885 -0.18658176 -0.26137035 Cu 8.87515795 1.74720386 3.54783459 0.17743246 0.12753179 -0.07790141 Cu 8.85909377 -0.00861677 5.29162385 -0.04779598 0.12886654 0.08113893 Cu 7.11836636 1.75991465 5.33867736 -0.13522907 0.16698100 -0.26892380 Cu 0.00964954 3.53648159 3.51951894 -0.45586222 0.00754167 0.03279968 Cu 1.74544358 5.32647773 3.55962796 0.37554583 -0.07821748 -0.17444014 Cu 1.74849993 3.52239009 5.31935851 0.20543330 0.10513245 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5.34598133 8.88058620 3.55713998 -0.18047493 0.23469040 -0.04725057 Cu 5.34383813 7.05878753 5.34654058 -0.04358423 0.17349098 -0.23915297 Cu 3.53149779 8.84764343 5.35094008 0.13596879 0.39858546 -0.15840715 Cu 7.11827920 7.11727059 3.51565013 -0.28748082 -0.20736833 0.15426683 Cu 8.87366153 8.86373548 3.55581108 -0.09406193 -0.12415558 -0.06267729 Cu 8.83026714 7.06938673 5.29560426 0.40517961 0.19892679 0.16128255 Cu 7.09792297 8.88961666 5.29252175 -0.02374241 0.21683477 0.23447752 Cu 0.02442778 0.01715627 7.09940463 0.15239581 0.25020531 0.10531946 Cu 1.78442698 1.74580386 7.07305362 -0.06879382 0.28015789 0.54787988 Cu 1.76609730 -0.03226119 8.86012534 0.01888174 0.50349010 -0.30981371 Cu -0.03364437 1.80858701 8.87137144 0.49207595 -0.13382793 -0.34904663 Cu 3.49632201 -0.02622730 7.07722186 0.22555882 -0.21974342 0.22832420 Cu 5.32087702 1.79191920 7.08645316 -0.09203222 -0.22103700 0.18167974 Cu 5.29479076 -0.00421516 8.87654865 0.10778959 0.29604323 -0.40894268 Cu 3.56188884 1.79270593 8.89571248 -0.16251446 -0.11501676 0.07456994 Cu 7.15353452 0.02599153 7.06875139 -0.24707879 -0.35225907 0.22563461 Cu 8.89141523 1.79334547 7.06741950 0.30293779 -0.13580652 0.29926370 Cu 8.83769687 -0.02635714 8.85258023 -0.48001405 0.58596958 -0.51913583 Cu 7.09385738 1.76397537 8.87070820 0.06710416 -0.08321918 0.18368884 Cu -0.01695871 3.55091596 7.14817065 -0.22813587 -0.12987909 -0.28137593 Cu 1.77843948 5.31043495 7.09777739 -0.08768669 0.09656445 -0.17270115 Cu 1.75883060 3.57377259 8.88712368 0.03512492 -0.26415068 0.25448147 Cu -0.00831189 5.31867584 8.80706340 0.07221590 0.13684279 0.06125766 Cu 3.52652350 3.57855871 7.09051105 0.09579962 -0.26525657 0.12854713 Cu 5.34545252 5.35081019 7.11190664 -0.19502410 -0.23658159 -0.24306520 Cu 5.34124569 3.57382300 8.86773760 -0.14493292 -0.20515938 0.31154446 Cu 3.53032228 5.34532015 8.88267629 0.11568103 -0.07236843 0.29552780 Cu 7.06774697 3.51825639 7.05774876 0.16523236 0.11230842 0.20535135 Cu 8.87448765 5.33722067 7.07794700 0.21114497 -0.01451312 0.25467675 Cu 8.84718584 3.54578715 8.89054042 -0.26022081 -0.03578629 -0.35839056 Cu 7.06255255 5.28671904 8.84698367 0.42522491 0.17462613 0.37581694 Cu 0.00082052 7.08790127 7.09631381 -0.15862472 0.24660411 0.00180142 Cu 1.80135858 8.87164547 7.09825752 -0.37194546 0.21276349 0.09982851 Cu 1.79293878 7.05938296 8.86735813 -0.21511716 0.29652020 0.29190316 Cu 0.01397448 8.83831168 8.89434934 0.59492907 -0.57208903 -0.60275747 Cu 3.51183092 7.09840996 7.06976968 0.13891348 -0.17393186 0.15397130 Cu 5.28858385 8.85205879 7.10768269 0.28789364 0.30838786 -0.01965507 Cu 5.34018438 7.06915617 8.86836808 -0.10017075 0.18536566 0.36739201 Cu 3.56547507 8.86409451 8.85003303 -0.09935896 -0.24077803 -0.08764552 Cu 7.08258918 7.08710515 7.09375560 0.21848874 0.18447530 0.00898125 Cu 8.84510369 8.85768252 7.06171876 -0.33465511 -0.33496395 0.04164313 Cu 8.86730536 7.09885609 8.83981396 -0.36509267 -0.06244799 -0.30148678 Cu 7.08595110 8.83068263 8.89203739 0.01176776 -0.27449289 -0.39672374