500 Lattice="17.948924468174305 0.0 0.0 0.0 17.948924468174305 0.0 0.0 0.0 17.948924468174305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1867.2116660746813 stress="-0.003188903516620819 -5.7039073599070944e-05 2.4958335968281557e-05 -5.7039073599070944e-05 -0.0032213208604703002 -0.00014769887250148388 2.4958335968281557e-05 -0.00014769887250148388 -0.003217330256075264" free_energy=-1867.2116660746813 pbc="F F F" Cu 0.00201424 0.01698962 0.03395898 0.19056081 0.17509645 0.17154297 Cu 1.78608229 1.80591204 0.01455845 0.10313373 -0.08333722 -0.18581717 Cu 1.77661246 0.01673967 1.82868880 0.15282085 -0.11182101 -0.07402827 Cu 0.02172944 1.79141712 1.76637786 -0.16963189 0.04800906 0.21797271 Cu 3.59011470 0.00739326 0.02449747 0.10030588 0.26550277 0.24685647 Cu 5.40926204 1.81132213 0.02455559 -0.10129061 -0.08910374 -0.13409554 Cu 5.37981981 0.02895240 1.80448144 0.01281835 -0.05672940 -0.04013413 Cu 3.56721238 1.80371925 1.76095656 0.19179806 -0.22801441 0.11332866 Cu 7.14851593 0.02341387 0.00157423 0.03499876 0.27021148 0.30642976 Cu 9.00922167 1.76560956 0.04718654 -0.15759282 0.16549887 -0.12178789 Cu 8.94125568 0.03352298 1.80381899 0.08697233 -0.16147525 -0.02531496 Cu 7.15607061 1.82717204 1.80368246 0.15918222 -0.33862345 -0.29343420 Cu 10.77439868 0.02408256 0.00583605 0.04656612 0.22867908 0.31112179 Cu 12.59049073 1.79396396 0.01732994 -0.11944383 0.05906237 -0.06880348 Cu 12.57793328 0.03100914 1.80514190 -0.06934907 -0.18028842 -0.10773766 Cu 10.79340202 1.79873559 1.80715678 -0.12580870 -0.12940488 -0.22262402 Cu 14.39154562 0.01756496 0.02365679 -0.12849505 0.15607210 0.22991252 Cu 16.12775748 1.77091930 0.02856133 -0.21719322 0.20732730 0.19156815 Cu 16.17603909 0.02637289 1.76799102 -0.20734052 0.16913857 0.12732877 Cu 14.33748115 1.82508061 1.82495401 0.35642513 -0.25115093 -0.36487512 Cu 0.03156767 3.56054785 0.03341152 0.18540479 0.19674863 0.18749155 Cu 1.82016956 5.41493768 0.00915677 -0.08925533 -0.18842434 -0.05169797 Cu 1.81200226 3.57598911 1.80695027 -0.21285591 0.20069966 -0.18065010 Cu 0.02798989 5.38978959 1.82789122 -0.10551494 -0.07975296 -0.14112156 Cu 3.62978452 3.56807288 0.00926167 -0.04899263 0.25280794 -0.01536248 Cu 5.35854167 5.39345085 0.03323916 0.08540986 -0.06972189 -0.08489112 Cu 5.41532341 3.58430601 1.81210657 -0.29338540 0.14664915 -0.33768983 Cu 3.55762815 5.41961251 1.82163999 0.21976574 -0.33528475 -0.42339781 Cu 7.17862830 3.59193088 0.01028978 0.06428723 0.11686651 -0.07453716 Cu 9.00242448 5.38382345 0.04077050 -0.10995034 -0.06958729 -0.10906590 Cu 8.95536548 3.60995702 1.81833883 0.24719376 -0.04446408 -0.30133625 Cu 7.17691992 5.36549016 1.81379012 0.02351840 0.21790148 -0.34570072 Cu 10.77311435 3.58349182 0.00957532 0.05402974 0.13617551 0.07566366 Cu 12.59963914 5.41149986 0.00977972 -0.34670284 -0.20852245 -0.12673446 Cu 12.56926298 3.60702703 1.82369844 -0.15887445 -0.04468227 -0.44782100 Cu 10.79437185 5.41168515 1.82188421 -0.16661686 -0.27022829 -0.30472394 Cu 14.34125883 3.64055141 0.02436748 0.12531998 -0.07846673 -0.12665524 Cu 16.17856943 5.39092015 0.02672741 -0.34001438 0.02223028 0.30374033 Cu 16.12056260 3.58381591 1.81321773 0.16508697 0.12815166 -0.04165043 Cu 14.34988513 5.35167816 1.82362003 0.49317436 0.28234287 -0.26051879 Cu 0.01844193 7.20136086 0.01265782 0.29895563 0.02301021 0.29769199 Cu 1.84036151 8.98814521 0.00878845 -0.13266340 -0.08982953 -0.03593916 Cu 1.79063015 7.15363173 1.80520757 -0.19426717 0.35263421 -0.22925401 Cu 0.03494510 8.98714457 1.81512223 -0.06554044 -0.02580691 -0.16207167 Cu 3.58939266 7.17451477 0.01955223 0.05870002 0.11083844 -0.07617143 Cu 5.35086511 8.99413505 0.03535983 0.06408762 -0.05348329 -0.10557403 Cu 5.35701836 7.16565244 1.78314300 0.25758131 0.15631357 -0.17187694 Cu 3.59713125 8.98939172 1.82951637 -0.04236122 -0.13064647 -0.42508722 Cu 7.20882757 7.18403046 0.01650858 -0.17280270 -0.07908808 -0.03546290 Cu 8.95956357 8.96757961 0.03460027 0.19339301 0.08426936 -0.33124782 Cu 8.99813110 7.19990010 1.75961840 -0.25241659 -0.23063387 0.15142181 Cu 7.20322077 8.98343408 1.76067172 -0.24180586 -0.14863882 0.18078703 Cu 10.74318271 7.14910237 0.02541159 0.18092112 0.10720858 -0.25507601 Cu 12.56843356 8.98300386 0.02162355 -0.16000323 -0.02412286 -0.14780286 Cu 12.59753752 7.15101122 1.73543523 -0.30835433 0.28391602 0.21511707 Cu 10.75341109 8.96396682 1.75958313 0.22635956 0.17161846 0.00569155 Cu 14.32764178 7.16679829 0.02948816 0.38651607 -0.00411068 -0.23358962 Cu 16.13963483 8.98984928 0.02368834 -0.22426954 -0.11314584 0.22231942 Cu 16.16064645 7.17378901 1.82654563 0.02145160 -0.04092827 -0.14019677 Cu 14.33009381 8.94573107 1.77129688 0.35658556 0.22872195 0.10095052 Cu 0.01050650 10.78997425 0.01398351 0.29386382 -0.05199006 0.26572484 Cu 1.82738627 12.55135594 0.03480851 -0.25321828 0.12140232 -0.27387929 Cu 1.81915816 10.79406039 1.73766095 -0.35741379 -0.21199532 0.24590111 Cu 0.03250802 12.56075812 1.81297446 -0.13620655 -0.09011836 -0.10017402 Cu 3.56303287 10.79862204 0.00971232 0.35859868 -0.17640484 -0.22596302 Cu 5.41995451 12.56524082 0.01548032 -0.04372576 -0.13245710 -0.21112284 Cu 5.38794572 10.80401846 1.79539600 0.10397468 -0.25027100 -0.27564708 Cu 3.62581419 12.53411480 1.74041347 -0.02883586 0.35699892 0.27049710 Cu 7.19738181 10.73393340 0.03172246 -0.12763232 0.13493492 -0.22869787 Cu 8.94970079 12.56140717 0.03235294 0.09291444 -0.01927265 -0.19202601 Cu 8.95921695 10.77668091 1.79089939 0.27215075 -0.05827986 -0.01764237 Cu 7.20520578 12.55391842 1.78394213 -0.15766498 0.14584279 -0.13876043 Cu 10.80484335 10.78308426 0.01997853 -0.18317903 -0.11470251 -0.12915881 Cu 12.53112091 12.56688578 0.02825315 0.17701438 -0.05375552 -0.17439259 Cu 12.58968321 10.79824760 1.81598662 -0.17927316 -0.34671135 -0.23049282 Cu 10.78751894 12.53416523 1.75996360 -0.25996970 0.18330711 0.19725391 Cu 14.37762286 10.73466392 0.02628590 -0.06225882 0.15301287 -0.10226167 Cu 16.18371657 12.53003909 0.01644396 -0.31388890 -0.10718867 0.24885217 Cu 16.18413508 10.73407543 1.78161114 -0.08931477 0.08262409 0.12502517 Cu 14.35759174 12.55523580 1.78571107 0.27546054 0.05873075 -0.11980850 Cu 0.02879203 14.36776704 0.01432795 0.23680176 -0.09240488 0.26704508 Cu 1.75955792 16.17179635 0.01586051 0.06521347 -0.23845544 0.24782562 Cu 1.81582397 14.35738541 1.81630111 -0.10946080 0.21023887 -0.26535106 Cu 0.00731692 16.18937533 1.81362309 0.27281991 -0.28963036 0.08850566 Cu 3.56410941 14.35084478 0.00532446 0.23154674 0.13427402 -0.04062740 Cu 5.44807268 16.17253230 0.03522206 -0.09320141 -0.22642579 0.21694533 Cu 5.40162124 14.35488886 1.77778792 -0.20684917 0.18094914 -0.02734185 Cu 3.57839569 16.18051666 1.80422217 0.15676765 -0.08292823 -0.12861874 Cu 7.14404289 14.37066585 0.00117660 0.18671052 -0.03839454 -0.05560201 Cu 8.93454957 16.12297047 0.01899171 -0.00556389 -0.19652304 0.19451900 Cu 8.95979410 14.38413150 1.80238807 0.18233179 0.07775057 -0.18375215 Cu 7.16696168 16.14854471 1.79905219 0.08353778 0.10826990 0.09388985 Cu 10.77411257 14.34895505 0.01323720 -0.11025637 0.06581026 -0.06375908 Cu 12.57562131 16.12764308 0.02890020 -0.08542334 -0.14445705 0.15314347 Cu 12.53111454 14.39401589 1.80015681 0.15073275 -0.11692210 -0.10889734 Cu 10.79908103 16.16248381 1.79255553 -0.29137620 0.04184796 -0.05335012 Cu 14.32858900 14.36831598 0.02353391 0.05286313 -0.11321520 -0.18554224 Cu 16.15371619 16.17347389 0.00551436 -0.20546988 -0.18758788 0.16349625 Cu 16.12739958 14.35149570 1.75322647 0.15882281 -0.01365880 0.16797776 Cu 14.38400844 16.15601442 1.76912652 -0.08511008 0.09726944 0.17182238 Cu 0.03214369 0.00799956 3.58619564 0.13889846 0.22783766 0.14659462 Cu 1.76350438 1.79576269 3.61579528 0.06647248 -0.14518490 -0.10742990 Cu 1.80422063 0.00497116 5.41429830 -0.04935151 -0.17764989 -0.20298970 Cu 0.00598868 1.80057808 5.40673155 -0.12231848 -0.11003120 -0.09736656 Cu 3.61016742 0.02655866 3.58904887 0.02523255 -0.08691712 0.05894892 Cu 5.38765274 1.81723021 3.60793627 -0.23619371 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0.34360157 Cu 12.60001208 3.57147466 5.36216838 -0.27956715 0.14331058 0.19782271 Cu 10.74001116 5.34697858 5.38659315 0.33156887 0.19251361 -0.16278438 Cu 14.33590478 3.60331787 3.61116110 0.51622322 0.00146922 0.05394589 Cu 16.16979449 5.38113351 3.63546088 -0.07296383 -0.00522123 -0.07980385 Cu 16.12151061 3.62348959 5.40168893 0.13164647 -0.10320384 -0.12970915 Cu 14.35158055 5.41134845 5.40170383 0.22384850 -0.10893571 -0.17374058 Cu 0.02061361 7.18516361 3.59952599 -0.07849517 0.03692393 0.08627052 Cu 1.79162832 9.00448554 3.57685303 -0.16784656 -0.14758143 0.13980033 Cu 1.80857788 7.14428655 5.38694071 -0.25142785 0.23666097 0.06976094 Cu 0.00469247 8.98281251 5.36287472 0.06037463 -0.08281483 0.09233445 Cu 3.60038615 7.16677233 3.59188994 -0.02966085 0.27385074 0.10477556 Cu 5.38448399 8.98938178 3.56727459 0.16396026 -0.10341819 0.14792917 Cu 5.38572934 7.20789294 5.37614069 0.02024251 -0.07977400 -0.07907877 Cu 3.55855143 8.99898602 5.39517654 0.31669958 -0.13445728 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