864 Lattice="21.463401159019135 0.0 0.0 0.0 21.463401159019135 0.0 0.0 0.0 21.463401159019135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2839.709429640262 stress="-20.614291317597193 0.4933862458769518 -2.238131795742035 0.4933862458769518 -20.93470277451003 0.06472828148747567 -2.238131795742035 0.06472828148747567 -22.39963612893449" pbc="F F F" Cu -0.00968218 0.01119659 -0.02552854 0.74316355 0.72253237 0.79613280 Cu 1.76319091 1.80735043 -0.01776647 -0.09792199 -0.31582118 0.13331763 Cu 1.81078138 -0.02551317 1.79824137 -0.23528159 0.25517651 -0.25215265 Cu 0.02964711 1.81832191 1.82107390 -0.05816875 -0.42949167 -0.34826394 Cu 3.59762374 0.01685961 0.03301097 -0.08861144 0.42994129 0.32978657 Cu 5.39763845 1.80263584 0.04442299 -0.08214871 0.02993871 -0.12515476 Cu 5.34186119 0.03923331 1.81724263 0.23080151 -0.17692348 -0.27288901 Cu 3.58875252 1.82342019 1.77458171 -0.09408959 -0.36230817 -0.10602112 Cu 7.12285627 0.02620751 0.01753733 0.10878041 0.38261992 0.47288763 Cu 8.95534335 1.79014907 0.01615575 -0.06810183 -0.10129713 -0.09631851 Cu 8.95771660 0.03114853 1.79943466 -0.19268592 -0.20674319 -0.18804676 Cu 7.18852546 1.82412411 1.82167116 -0.06085098 -0.35502531 -0.33900350 Cu 10.71820255 -0.02377389 0.03109373 0.07400296 0.48769290 0.40575600 Cu 12.51829386 1.78377295 -0.01924957 0.00334525 -0.25654463 0.15771367 Cu 12.52741691 -0.03006326 1.79288119 -0.10062321 0.16553796 -0.10301785 Cu 10.70070008 1.81473730 1.79765056 0.31226360 -0.37914035 -0.18345679 Cu 14.35638999 0.01041936 0.01965385 -0.07227428 0.37686117 0.32357183 Cu 16.13111360 1.82092759 -0.03118546 -0.08439898 -0.24709954 0.09515318 Cu 16.12912757 0.03483024 1.78847086 -0.03642758 -0.20000834 -0.27298441 Cu 14.31094372 1.74518473 1.78351842 -0.12253173 0.21527884 -0.18773949 Cu 17.93408301 -0.02917599 0.03173935 -0.06493768 0.61199687 0.49419561 Cu 19.66390474 1.79238305 0.00881032 -0.53496807 -0.00628361 0.57601659 Cu 19.69345165 -0.00122199 1.78513525 -0.58451663 0.60058919 0.08073852 Cu 17.87967401 1.79825909 1.80142945 0.53627579 -0.14826933 -0.26365348 Cu 0.00446430 3.62488250 0.02840779 0.29265127 -0.18346812 0.28756469 Cu 1.79963042 5.33708511 0.01756401 -0.21920875 0.28726069 -0.18496320 Cu 1.79432906 3.55774801 1.77371228 -0.20963882 0.11639059 -0.02089343 Cu 0.01192976 5.35520685 1.79488527 -0.06878706 0.08752179 -0.09958884 Cu 3.54515906 3.59525419 0.01065626 0.28602124 -0.21652886 -0.24514434 Cu 5.38112715 5.36905457 -0.00824076 -0.15365739 -0.02728106 -0.08416150 Cu 5.38524114 3.59828208 1.81684713 -0.20492146 -0.25469699 -0.39786424 Cu 3.55985145 5.34027719 1.75333606 0.07999257 0.25832810 0.19635337 Cu 7.18347653 3.59619301 0.01008325 -0.07694453 -0.17834490 -0.15829327 Cu 8.91924280 5.39420234 0.02799800 0.37001549 -0.10519323 -0.23569391 Cu 8.97398233 3.62282412 1.78192279 -0.17277420 -0.22491659 0.05257551 Cu 7.14367916 5.34517059 1.75963095 0.09761485 0.13044221 0.32847786 Cu 10.75988600 3.56388710 0.02098792 -0.12529551 0.14923364 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0.10310539 Cu 5.35830118 12.51755252 17.86972476 0.07579533 -0.10826600 0.32698940 Cu 5.34671335 10.69616951 19.67604032 0.06222947 0.14032590 0.11773394 Cu 3.61070877 12.51674962 19.64234664 -0.21536660 -0.07863730 0.20321979 Cu 7.13388674 10.69926661 17.91829748 0.03992967 0.04934769 -0.21683475 Cu 8.91840136 12.49598598 17.89027739 0.19540468 0.13714979 0.07362193 Cu 8.96281479 10.70837892 19.65226243 -0.09666329 0.10488853 0.28986311 Cu 7.16388453 12.45710361 19.66658276 -0.15855299 0.20620214 0.17454164 Cu 10.76211323 10.70516840 17.90502942 -0.21596287 0.22604434 -0.13561873 Cu 12.53762257 12.52556371 17.91524088 -0.15061235 0.10308015 -0.23230330 Cu 12.49126213 10.76672920 19.69548272 0.17077382 -0.18892611 0.12205545 Cu 10.72118460 12.52212739 19.65681659 -0.06807396 0.05754624 0.13917189 Cu 14.28288406 10.69612181 17.89956391 0.01126054 0.22707811 0.00421206 Cu 16.12973578 12.48819965 17.91028755 -0.31663199 0.18907996 0.08028051 Cu 16.07057008 10.70528136 19.68612695 0.10490950 0.23373677 0.15011660 Cu 14.28630013 12.55345188 19.66144562 0.12327712 -0.18205923 0.17688930 Cu 17.88104430 10.75074549 17.88132290 0.22223050 -0.18959774 0.20574238 Cu 19.69611449 12.48958278 17.89468321 -0.13365239 0.19317595 0.21940597 Cu 19.69693195 10.70561324 19.64547896 -0.49505095 0.02794013 -0.29526394 Cu 17.88186476 12.50273277 19.70120216 0.21533180 0.13235560 -0.08742757 Cu 0.00117439 14.31675054 17.88440071 -0.12366832 0.00227187 0.19714283 Cu 1.82387581 16.08439511 17.92032468 -0.33739364 0.17654148 -0.15669594 Cu 1.79665145 14.32092426 19.63961042 -0.15811496 -0.12627464 0.30803219 Cu 0.01879070 16.10146013 19.67564015 0.38777495 0.08178966 -0.43935624 Cu 3.55877127 14.28122853 17.89256100 0.21565825 0.18593419 -0.17246061 Cu 5.34263403 16.11380660 17.86803414 0.32641184 -0.17095211 0.15677356 Cu 5.34901862 14.33426861 19.65038454 0.18595226 -0.14376895 0.19492057 Cu 3.61176980 16.08581564 19.68021510 -0.19148250 0.07640505 0.12928295 Cu 7.12181716 14.28782441 17.92664411 0.21146295 0.08826713 -0.09358842 Cu 8.91474741 16.04694508 17.88429998 0.34478259 0.26800410 0.07204024 Cu 8.92174694 14.30719114 19.69503938 0.08235920 -0.02567617 0.02750329 Cu 7.17088602 16.13439758 19.65191820 -0.19844157 -0.14806006 0.27793301 Cu 10.70517896 14.28936054 17.87274982 0.10767706 0.09397580 0.14956243 Cu 12.51792062 16.10335319 17.90097952 -0.09447622 -0.05656580 -0.17741574 Cu 12.48915411 14.33720898 19.66291777 0.10861086 -0.06954101 0.11866126 Cu 10.75670933 16.12796858 19.66248592 -0.29406265 -0.15364329 0.05063965 Cu 14.33927920 14.30903531 17.90080881 -0.22723466 0.06959948 -0.21083166 Cu 16.12451483 16.11963502 17.91895326 -0.16190281 -0.25704746 -0.17996700 Cu 16.06197875 14.32634134 19.68268610 0.31469861 -0.09390317 0.08507360 Cu 14.31714467 16.11999242 19.64559759 -0.17151530 -0.10308909 0.33960575 Cu 17.88231421 14.30909851 17.86754643 0.21659207 -0.09173125 0.34440869 Cu 19.70224262 16.12046199 17.85166254 -0.16286704 0.05919304 0.31037463 Cu 19.67684897 14.35633336 19.70871442 -0.48518293 -0.14824332 -0.63560995 Cu 17.90419703 16.08333207 19.67881544 0.19666621 0.18444403 -0.08491877 Cu -0.03112969 17.87549144 17.85369141 0.21666095 0.21745318 0.36251600 Cu 1.73476522 19.68148813 17.88579507 0.14057492 -0.23525774 0.14557623 Cu 1.82145358 17.88084904 19.66386012 -0.30019471 0.18506245 -0.09385720 Cu 0.00225842 19.67906355 19.69396543 0.69441656 -0.75034584 -0.70677138 Cu 3.59016790 17.85986121 17.85996655 -0.35551843 0.48639032 0.34870930 Cu 5.35521476 19.63452731 17.85744752 0.00570061 0.22722749 0.50933252 Cu 5.32543878 17.88608052 19.68326019 0.16884655 0.17615252 -0.00220275 Cu 3.56379429 19.65841581 19.70817410 -0.05327514 -0.41207115 -0.60170072 Cu 7.17110831 17.86659526 17.92778276 -0.09259488 0.19579401 -0.29206437 Cu 8.91524660 19.68487360 17.91749912 0.14696054 0.03963667 -0.07666902 Cu 8.96170094 17.88582155 19.64773815 0.13593782 0.11316245 0.16847661 Cu 7.18725160 19.66156713 19.64369737 -0.22702127 -0.35672160 -0.22866256 Cu 10.73602149 17.91906290 17.88339164 -0.13996460 -0.13271794 0.04022875 Cu 12.49701059 19.66015981 17.88577933 0.08689253 0.15762272 0.12706730 Cu 12.47863543 17.89962936 19.65736890 0.21388671 0.18440315 0.21505366 Cu 10.74612176 19.70399419 19.69489276 -0.10335772 -0.42479525 -0.45631147 Cu 14.28174923 17.85256161 17.91385375 0.11045292 0.45476440 -0.14687714 Cu 16.07330106 19.68710951 17.91947000 0.10474278 -0.02285275 -0.07714469 Cu 16.09544149 17.87047643 19.64331301 0.12777217 0.30647796 0.25921562 Cu 14.31963210 19.68794875 19.66064360 -0.11980252 -0.47658434 -0.37072905 Cu 17.86810687 17.91671372 17.87837668 0.59679716 0.21679873 0.33286454 Cu 19.68753829 19.69054672 17.86134524 -0.62726538 -0.59767176 0.06638972 Cu 19.70881134 17.93066559 19.67875376 -0.70431670 -0.05484368 -0.69008288 Cu 17.88546197 19.69070264 19.68295434 0.07930426 -0.59762048 -0.59987738