108 Lattice="10.604294849789774 0.0 0.0 0.0 10.604294849789774 0.0 0.0 0.0 10.604294849789774" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.5257770322363 stress="1.0081634043695775 -0.007296329370702459 0.37547124832550516 -0.007296329370702459 0.7821414440211223 -0.006620432389794928 0.37547124832550516 -0.006620432389794928 1.4898689678513186" pbc="F F F" Cu -0.03205266 -0.02033599 -0.03204892 0.66154447 0.64387299 0.65241116 Cu 1.78118182 1.74299305 -0.02404251 -0.19257118 0.24047948 -0.16912367 Cu 1.77144344 0.01949673 1.75593876 -0.20083378 -0.26681033 0.03613536 Cu -0.03012380 1.77668815 1.73527134 -0.02830330 -0.08026210 0.15557102 Cu 3.52666069 0.03005160 -0.02621720 0.17207551 0.11278790 0.31030444 Cu 5.33157097 1.77120981 0.00518408 -0.03123727 -0.00327330 -0.21256013 Cu 5.33087552 -0.02871027 1.80199523 -0.06260739 -0.27238872 -0.33760872 Cu 3.55521755 1.75699134 1.76917104 -0.22171446 0.20629769 0.02728567 Cu 7.03447004 -0.01997510 -0.03515639 0.13593790 0.50661347 0.53733393 Cu 8.85014962 1.79918528 -0.03173639 -0.45393542 -0.18134307 0.43839909 Cu 8.87137356 -0.02666047 1.72931345 -0.45310561 0.47053534 -0.06014993 Cu 7.10419890 1.74921268 1.80012364 -0.33826857 -0.09414863 -0.70127887 Cu -0.01318042 3.54690051 0.01523637 0.27493650 -0.10241597 0.06647227 Cu 1.76480286 5.32322429 -0.03036968 -0.10171314 -0.07448549 -0.28216151 Cu 1.77175363 3.55664957 1.74299199 -0.07706160 -0.50243527 0.09569997 Cu -0.02895753 5.29789563 1.75000666 -0.25762972 0.14327134 0.11148868 Cu 3.53188951 3.57083980 0.02160892 0.08680319 -0.26576383 -0.43431003 Cu 5.29075108 5.33698788 -0.01299958 0.16379728 -0.15193648 -0.31092442 Cu 5.33589896 3.54270425 1.77923028 -0.27876657 -0.19648888 -0.14630255 Cu 3.50000856 5.32071504 1.80008286 0.34908984 -0.14151213 -0.34390117 Cu 7.09680851 3.53236372 -0.02737666 -0.23156735 0.00642630 -0.19631596 Cu 8.84322984 5.27920679 -0.00335857 -0.27246532 0.16610001 0.26332467 Cu 8.81899416 3.51813311 1.76406752 0.55265380 0.14295441 -0.10948852 Cu 7.04541972 5.32349616 1.76729175 0.34247964 -0.14916447 -0.10416806 Cu 0.00536624 7.03726763 -0.02085908 0.33387347 0.15097815 0.46098938 Cu 1.77535011 8.80891238 -0.02043159 0.03174346 -0.37424356 0.49072720 Cu 1.76553700 7.04844633 1.79525210 -0.13482065 0.32217788 -0.17870639 Cu 0.03527477 8.85313641 1.80513308 0.34179577 -0.48591809 -0.09392482 Cu 3.51217022 7.04332315 -0.01934119 0.06291300 0.24347016 -0.13270479 Cu 5.27066923 8.81959593 0.00573344 0.13854145 -0.26631716 0.30786387 Cu 5.31678347 7.03873663 1.79532167 -0.14360128 0.45503230 -0.16573024 Cu 3.54834355 8.85420543 1.78351711 -0.19868481 0.08535906 -0.15753049 Cu 7.07653913 7.10016139 0.00010000 0.09799449 -0.05317667 -0.20713468 Cu 8.85137973 8.86355622 -0.00315251 -0.57545764 -0.64080408 0.66039163 Cu 8.85614389 7.03438009 1.78458306 0.21916590 0.20151169 -0.12168872 Cu 7.09401077 8.84502546 1.78955760 -0.09541416 0.14500422 -0.10031851 Cu -0.02884031 -0.00380768 3.53492740 0.32256973 0.31154656 -0.13443979 Cu 1.74898234 1.76450719 3.56833895 0.19189480 -0.03637836 -0.64471912 Cu 1.73328702 0.00204006 5.32189270 0.30824298 -0.55363675 -0.21254445 Cu 0.03352721 1.79078071 5.28809743 -0.64210883 0.02957322 0.18883479 Cu 3.53008482 -0.03076012 3.52421550 -0.19709392 -0.31929916 0.12825397 Cu 5.27005676 1.73619560 3.54138909 0.29387541 0.42089696 -0.13225771 Cu 5.32858117 0.03244698 5.29689198 -0.13700733 -0.62545884 0.16842823 Cu 3.51788899 1.78752543 5.29786829 0.16866512 -0.27304478 0.03193594 Cu 7.12178188 0.01278082 3.50877084 -0.17105608 -0.71507229 0.12440805 Cu 8.81102235 1.75219451 3.52064122 0.92162304 -0.03838994 0.09928667 Cu 8.84347080 -0.01159995 5.32201282 -0.16694800 0.33732360 0.09408010 Cu 7.07790507 1.74655313 5.28597316 0.06499220 0.35492741 0.29478315 Cu 0.03299330 3.55120864 3.54741812 -0.61617151 -0.11962988 -0.23132354 Cu 1.77818357 5.27464069 3.51674523 -0.21843694 0.46726651 0.23858596 Cu 1.79834200 3.57263165 5.30180546 -0.47314774 -0.19837063 0.34975631 Cu -0.02672516 5.33454275 5.28908707 -0.26079798 -0.09512697 0.33670215 Cu 3.50404698 3.53903456 3.56726969 0.34426751 -0.23660198 -0.48611768 Cu 5.27361712 5.27623761 3.52031398 0.32269216 0.12460349 0.40411831 Cu 5.31680549 3.53363482 5.31544933 -0.04896424 -0.08432664 -0.18716829 Cu 3.51755621 5.29363617 5.33101045 0.07381649 0.30095618 -0.10178851 Cu 7.08939954 3.50790281 3.50155790 -0.36027949 0.28657001 0.48222597 Cu 8.83906098 5.27818551 3.55531092 0.32926588 0.08467004 -0.13853325 Cu 8.85942715 3.53268061 5.28664250 0.16138627 -0.11088508 0.24838371 Cu 7.03843214 5.31271841 5.35026151 0.01878933 -0.11197397 -0.44326886 Cu -0.01397292 7.05168356 3.56494840 -0.33454816 0.16322860 -0.40500244 Cu 1.78683206 8.84951486 3.55034015 -0.06889626 0.35753384 -0.19127625 Cu 1.74285477 7.10315288 5.28169871 0.19190803 -0.32045713 0.30852340 Cu 0.00392225 8.84596009 5.29208507 0.14965074 -0.10862372 0.10967701 Cu 3.54283790 7.05446567 3.54921317 -0.08563025 0.11767267 -0.00957456 Cu 5.29353694 8.86817162 3.53643578 0.18261797 0.18595104 -0.16337281 Cu 5.28609535 7.07246735 5.33155191 0.23159564 -0.15146074 -0.22197627 Cu 3.55822754 8.84554872 5.28474119 -0.25919511 0.51562769 0.17850935 Cu 7.08727880 7.05170900 3.54642890 -0.27272467 0.08206401 -0.08747134 Cu 8.86151841 8.85922334 3.53221198 -0.27169109 -0.31923902 -0.04919937 Cu 8.82589824 7.07201803 5.28164858 0.43745990 0.01471270 0.04974666 Cu 7.05118083 8.83450666 5.27127975 0.09736538 0.33473545 0.27553794 Cu 0.00734404 0.02606195 7.02747223 0.11362937 0.21119338 0.10990777 Cu 1.80140602 1.75463057 7.04995020 -0.38021749 0.30270890 0.14430768 Cu 1.74666796 0.00114310 8.82005816 0.10919771 0.27799906 -0.24927599 Cu 0.02163384 1.76195856 8.80746834 0.21710084 0.10049043 -0.25738696 Cu 3.52179123 0.03512101 7.09251207 0.17239436 -0.60628505 -0.19585009 Cu 5.30662090 1.77889956 7.08175641 0.04853676 -0.21617379 -0.22197937 Cu 5.30113520 -0.00209633 8.84388347 0.04509690 0.15758231 -0.24628394 Cu 3.54221813 1.76924793 8.85224343 -0.03600859 -0.07400142 0.47591746 Cu 7.09801668 0.02299785 7.07796487 -0.05635018 -0.35380644 0.07730369 Cu 8.83533410 1.81785608 7.12056867 0.23648019 -0.20383398 -0.24539793 Cu 8.86083166 0.00293132 8.85765412 -0.57768921 0.58170097 -0.57760093 Cu 7.04709203 1.74380983 8.86655591 0.22660650 0.05315118 0.30445207 Cu -0.02061407 3.53663406 7.06796226 -0.15019014 -0.09979962 -0.09789969 Cu 1.74065628 5.31345040 7.07974378 0.04619779 0.00535149 -0.15758086 Cu 1.79033469 3.50118468 8.83670818 -0.17802968 0.14593963 0.33264306 Cu -0.00227809 5.26790854 8.83262491 0.22491748 0.14215545 -0.18201821 Cu 3.52099716 3.51611849 7.06974229 0.07374454 0.20226127 0.11240175 Cu 5.25145130 5.31346451 7.09302708 0.24527399 0.07102306 0.01684217 Cu 5.33467297 3.51395527 8.80401686 -0.28569394 0.24348565 0.76714234 Cu 3.51152282 5.33199126 8.86398801 0.14367397 -0.18731970 0.27627996 Cu 7.03789705 3.54850429 7.07714396 0.40235115 -0.20812668 -0.21201446 Cu 8.82589429 5.33158348 7.04650509 0.57756604 -0.17006235 0.11533111 Cu 8.81051923 3.55425656 8.84560413 -0.09385374 -0.10518851 -0.14308124 Cu 7.11230242 5.28913976 8.84024846 -0.36047274 0.22415116 0.42660552 Cu -0.01098836 7.12752569 7.10293556 -0.28489524 -0.28215136 -0.17971767 Cu 1.77160102 8.85780594 7.09837522 -0.03808760 0.37307853 -0.18360923 Cu 1.77793442 7.05058722 8.81494420 -0.19968852 0.31761327 0.54422192 Cu -0.02652742 8.86350834 8.82674727 0.59313524 -0.51247909 -0.44697730 Cu 3.50044800 7.09612162 7.05065867 0.03029320 -0.17147461 0.10038385 Cu 5.28044110 8.84160395 7.07278953 0.30217591 0.45347447 -0.13888049 Cu 5.32084711 7.09845002 8.82160403 -0.14064586 -0.27235253 0.48538718 Cu 3.56870958 8.86277509 8.81479686 -0.21106011 -0.23952816 -0.04316459 Cu 7.08044219 7.05895301 7.09974864 -0.16132314 0.24882092 -0.31696666 Cu 8.86824419 8.80998566 7.01001485 -0.46134631 -0.27850080 0.11489362 Cu 8.81381629 7.08816956 8.84583567 -0.16729318 -0.03577111 -0.28971106 Cu 7.04686197 8.82566228 8.82806597 0.13090629 -0.10719421 -0.33873406