500 Lattice="17.89518517285384 0.0 0.0 0.0 17.89518517285384 0.0 0.0 0.0 17.89518517285384" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1617.1503047830122 stress="-0.007961664484895173 0.0002568721877892277 -0.00026993001836811436 0.0002568721877892277 -0.008147623127295618 0.00018676294617667194 -0.00026993001836811436 0.00018676294617667194 -0.007761906918559248" pbc="F F F" Cu 0.01366732 0.00846015 0.00566112 0.47561018 0.53264133 0.52395667 Cu 1.79948778 1.78645158 0.01895995 -0.35419303 -0.12781777 -0.27304108 Cu 1.76818432 0.01730988 1.74810397 -0.08884092 -0.09134275 0.08875492 Cu 0.03549015 1.80859821 1.81999230 -0.19861339 -0.23921194 -0.32012256 Cu 3.55546053 0.03354643 0.01112817 0.08467614 0.09122712 0.19387180 Cu 5.35368490 1.76095942 0.01786598 0.12505589 -0.06609062 -0.24225771 Cu 5.39240230 0.02989211 1.79245787 -0.12311902 -0.13457657 -0.13489815 Cu 3.54966749 1.79075106 1.73772513 0.35963079 -0.25943297 0.28904969 Cu 7.17909116 0.00808228 0.01226229 -0.08390200 0.26624657 0.20332452 Cu 8.93239730 1.81752720 0.00167765 0.15168103 -0.19585894 -0.20819678 Cu 8.91680670 0.01899925 1.74872327 0.23310395 -0.08751314 0.13253474 Cu 7.18745806 1.80191733 1.77464952 -0.22142535 -0.28218336 -0.10373649 Cu 10.70529313 0.03324540 0.01132965 0.16189324 0.26875941 0.26807263 Cu 12.55621546 1.81262173 0.02053251 -0.14878133 -0.27270588 -0.19125660 Cu 12.54642995 0.03093255 1.80778177 -0.13607083 -0.09926393 -0.19208032 Cu 10.72680473 1.80568516 1.76056581 0.08461133 -0.30076776 0.03341610 Cu 14.31367059 0.03242514 0.02605400 0.09368868 0.24480451 0.30807434 Cu 16.10826997 1.75495965 0.03060554 -0.28773601 0.09550421 0.28988954 Cu 16.13346248 0.00365226 1.77741030 -0.46258857 0.43835591 0.05500514 Cu 14.33264070 1.80079519 1.75445501 0.28376457 -0.25687398 0.17111578 Cu 0.01844488 3.60752898 0.02954069 0.19966169 -0.10382596 0.20318134 Cu 1.79590659 5.35105489 0.01627036 -0.14171749 0.12855479 -0.13160825 Cu 1.81889683 3.55535553 1.75466452 -0.41881473 0.25244732 0.10136522 Cu 0.04281732 5.33783439 1.81218843 -0.09822175 0.20824680 -0.13023984 Cu 3.58061673 3.55703998 0.03004610 0.16564343 0.16700450 -0.42341516 Cu 5.40370403 5.39286676 0.01436668 -0.12831294 -0.11537512 -0.16072953 Cu 5.40285763 3.54657778 1.75788107 -0.34838317 0.29336933 0.11047200 Cu 3.56944327 5.34334930 1.76232494 0.20194092 0.12171195 0.10736434 Cu 7.13341607 3.55804042 0.01750179 0.12750319 0.18031837 -0.31611478 Cu 8.96324114 5.38486526 0.03153981 -0.15773373 -0.06532732 -0.22696325 Cu 8.96238099 3.57675650 1.74772291 -0.13276475 0.13592167 0.18696464 Cu 7.15173791 5.38325218 1.75911435 0.11379741 -0.07098924 0.14391631 Cu 10.76214299 3.60217045 0.01212909 -0.07357468 -0.13805317 -0.23691392 Cu 12.51070672 5.35546544 0.00786289 0.18966320 0.09928663 -0.08913840 Cu 12.54782393 3.55094244 1.78514180 -0.05279798 0.25991125 -0.04261854 Cu 10.76161767 5.33900942 1.79324814 -0.15244735 0.25707803 -0.09179415 Cu 14.33092442 3.56416111 0.02381725 0.15289652 0.17257353 -0.15061620 Cu 16.07970454 5.38955043 0.02552699 -0.19486588 0.04213217 0.18730897 Cu 16.12975322 3.62684482 1.75768545 -0.07174520 -0.23235430 0.08680111 Cu 14.33458674 5.40237503 1.78536543 0.04320912 -0.21888743 -0.06712656 Cu 0.02729901 7.14583736 0.01742976 0.31661885 -0.03268922 0.36764052 Cu 1.79253527 8.95758635 0.00648810 -0.17602569 -0.10047214 -0.00813392 Cu 1.82513870 7.17229582 1.80103017 -0.36606411 -0.24564285 -0.22111477 Cu 0.01461570 8.91904164 1.82508656 -0.08068794 0.16355760 -0.41480012 Cu 3.59746483 7.12419782 0.01306433 -0.12154741 0.20918509 -0.18538910 Cu 5.36480674 8.97654792 0.02621544 -0.10297346 -0.14883776 -0.19690343 Cu 5.33550438 7.14576723 1.80748271 0.23081544 0.17235828 -0.31018497 Cu 3.55935841 8.93067201 1.78666038 0.16312171 0.20513827 -0.07426072 Cu 7.17263404 7.21039734 0.03447209 -0.09334351 -0.23811838 -0.22201107 Cu 8.95704845 8.93762318 0.03224035 -0.09241505 0.08655508 -0.35929739 Cu 8.97254334 7.16326149 1.80662589 -0.30837807 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0.12019016 0.10792498 -0.17780340 Cu 5.39745862 12.50110689 0.01835329 -0.27910899 0.34779853 -0.15143868 Cu 5.36574183 10.76934477 1.75731865 -0.22441098 -0.13540619 0.24257425 Cu 3.55074836 12.55986201 1.76049684 0.28709803 -0.11077930 0.20668533 Cu 7.15557637 10.76794450 0.01173949 0.08188800 -0.15076850 -0.24808677 Cu 8.95457700 12.55014722 0.00675705 -0.01688410 -0.07998062 -0.18284832 Cu 8.93797598 10.71102855 1.75474535 0.21334271 0.27459488 0.17051936 Cu 7.16871074 12.49157783 1.79336572 -0.08320437 0.49735915 -0.10842367 Cu 10.71602188 10.76466643 0.00884700 0.13982162 -0.11252809 -0.14382858 Cu 12.51173849 12.54312357 0.03333105 0.06135370 -0.15146703 -0.22831516 Cu 12.49410716 10.72654702 1.80961623 0.25474553 0.12261952 -0.32113392 Cu 10.72006615 12.56198807 1.78523597 0.10234370 -0.29409216 -0.11606119 Cu 14.32207278 10.71023813 0.03363707 0.06897699 0.22845508 -0.14359732 Cu 16.13476675 12.55813849 0.00035232 -0.47792205 -0.10045200 0.38392708 Cu 16.11620935 10.71783685 1.78895747 -0.03415193 0.19021741 -0.11895509 Cu 14.31721736 12.50569996 1.75662318 0.18864600 0.07108146 0.15769294 Cu 0.02231894 14.29672519 0.03371323 0.16912683 0.05420529 0.21743130 Cu 1.74068781 16.08519083 0.02547826 0.05159400 -0.28013364 0.22381722 Cu 1.75669258 14.32144598 1.80148748 0.05739524 0.23866430 -0.13101734 Cu 0.02687308 16.08259837 1.78514878 0.19024845 -0.22933630 0.04134665 Cu 3.57427414 14.34708220 0.00815098 0.04641139 -0.02328782 -0.08577921 Cu 5.37567636 16.08763734 0.02530358 0.06805599 -0.24657435 0.22783205 Cu 5.35425438 14.36758266 1.81798588 0.19346693 -0.24864508 -0.40187845 Cu 3.55359252 16.09067475 1.74544672 -0.00980157 0.16968420 0.10455388 Cu 7.18103092 14.29308187 0.02328287 -0.22155010 0.20756781 -0.11763975 Cu 8.93833946 16.08935098 0.02116272 0.04543769 -0.17991446 0.13608164 Cu 8.96397090 14.33422094 1.75830117 -0.17598635 0.11391599 0.13783631 Cu 7.19379501 16.10149669 1.76382755 -0.15554344 0.10297899 0.05740542 Cu 10.73704238 14.34604367 0.01275546 0.09606845 0.01914626 -0.18102865 Cu 12.52103728 16.12376183 0.01052417 0.03991777 -0.39131572 0.39943804 Cu 12.51299302 14.29179164 1.80917186 0.23461028 0.42600095 -0.15143158 Cu 10.72789743 16.07527336 1.79108795 0.13018080 0.22238660 -0.02803150 Cu 14.28146509 14.31111353 0.02698570 0.30143738 0.22576430 -0.04040754 Cu 16.09100331 16.10627490 0.01994153 -0.59700471 -0.59171651 0.58614757 Cu 16.08838339 14.29490729 1.77160754 -0.05094589 0.28804325 -0.06880209 Cu 14.28674489 16.13867950 1.78729491 0.31769656 -0.27592669 -0.10317948 Cu 0.01345402 0.00893682 3.54716041 0.37842516 0.36087880 0.10247672 Cu 1.81970008 1.82430933 3.56460971 -0.41403894 -0.61547806 0.05147451 Cu 1.79027154 0.01075694 5.40421381 -0.14330783 -0.12496444 -0.37329371 Cu 0.02742542 1.81096949 5.34154884 -0.10689233 -0.26178997 0.10820376 Cu 3.60044127 0.03138893 3.55995345 -0.16986994 -0.19398775 -0.03358186 Cu 5.37624648 1.81218933 3.59632317 -0.10505718 -0.27268777 -0.22972670 Cu 5.33740165 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5.36338687 -0.17994042 0.23189621 0.05193559 Cu 10.70975068 5.34717811 5.36855307 0.18181982 0.20588758 -0.15141786 Cu 14.30947356 3.56362765 3.58844565 0.26955990 0.18668688 -0.14184489 Cu 16.09623534 5.33238141 3.61471076 0.13204447 0.17362997 -0.18016664 Cu 16.13659452 3.61082717 5.38145208 -0.14105783 -0.25138933 0.13090375 Cu 14.31879984 5.34576283 5.40076432 0.16707639 0.12935398 -0.23501317 Cu 0.01569013 7.18081084 3.55687072 -0.02412271 -0.25370081 0.23938818 Cu 1.75441314 8.97099035 3.55150815 0.21483277 -0.21824416 0.37347638 Cu 1.81354282 7.12812794 5.39316651 -0.36646495 0.33491761 -0.18546344 Cu 0.02883361 8.95222077 5.38353504 -0.06581445 -0.09510674 -0.16144262 Cu 3.59731219 7.14393796 3.59990823 -0.22322376 0.17044967 -0.17663960 Cu 5.39021890 8.94244017 3.57214768 -0.32689122 0.17679340 -0.10607921 Cu 5.35616996 7.18256711 5.39103721 0.00059138 -0.22165990 -0.25707648 Cu 3.59865946 8.93790009 5.39554060 -0.38638462 0.09868025 -0.34714009 Cu 7.12846960 7.19120941 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10.71989813 3.59050947 0.13417259 0.19022049 -0.25523129 Cu 16.11423879 12.53189221 3.60642338 0.09003447 -0.14227174 -0.32575125 Cu 16.10997347 10.72894559 5.36006211 0.19302648 0.03905814 0.06977620 Cu 14.34272773 12.49276379 5.34317298 -0.08207621 0.23630594 0.27893168 Cu 0.03461293 14.33640412 3.61371273 -0.34806223 0.08084676 -0.16758630 Cu 1.77512551 16.13097514 3.59234371 -0.05768715 -0.01607327 -0.09792850 Cu 1.79048775 14.30271846 5.34586130 -0.22704398 0.34001120 0.29513210 Cu 0.01138115 16.09163218 5.37764504 0.26608240 -0.26692882 0.08806686 Cu 3.57997217 14.33848901 3.57258222 -0.09967072 0.03079726 0.03860412 Cu 5.35489611 16.10167943 3.54555805 0.10561536 0.14619950 0.16579775 Cu 5.33917536 14.30432562 5.37564740 0.29334354 0.49147234 -0.13130060 Cu 3.54749782 16.10870849 5.34335732 0.17350996 0.15571276 0.15194973 Cu 7.17822017 14.34009819 3.58618680 -0.19440083 0.12674281 -0.14468359 Cu 8.96615206 16.11651278 3.59699108 -0.07661839 0.08538058 -0.16533013 Cu 8.92056003 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16.10543958 -0.08569903 0.27903430 0.06867969 Cu 7.13339764 10.74638897 14.31271943 0.27578412 0.05837815 0.17193171 Cu 8.98266628 12.54260654 14.35062997 -0.37196823 -0.17412726 -0.20170603 Cu 8.91835890 10.71984286 16.11140307 -0.00783796 0.18278842 0.12321654 Cu 7.12580655 12.57312497 16.07077328 0.13258002 -0.25629289 0.26572426 Cu 10.69850312 10.76175897 14.34298432 0.15150697 -0.20686203 -0.16197537 Cu 12.49317118 12.54346089 14.32515849 0.20483875 -0.12812204 0.20033415 Cu 12.50294312 10.71477501 16.08268903 0.11330734 0.11447254 0.18594989 Cu 10.72212095 12.49812277 16.10020974 0.09514785 0.20951456 0.22083733 Cu 14.29793503 10.71802402 14.30099669 0.26516063 0.22573378 0.33890215 Cu 16.11176162 12.53673417 14.31872425 -0.05948469 -0.04671349 0.19496813 Cu 16.07701916 10.75613814 16.10916133 -0.28113340 -0.07496360 -0.34231827 Cu 14.30543502 12.48686848 16.13212180 0.13440310 0.21422146 -0.13408337 Cu 0.00825900 14.33472412 14.34699993 -0.09155670 0.07772298 -0.02155080 Cu 1.77567692 16.08659402 14.32094828 -0.05901815 0.09472601 0.08139721 Cu 1.76956732 14.33747538 16.08738241 -0.01808955 0.01995366 0.12341584 Cu 0.02724644 16.12384042 16.08840121 0.42552353 -0.44447667 -0.43502661 Cu 3.54597504 14.31028309 14.33453290 0.29766397 0.21979370 -0.00583254 Cu 5.38723992 16.07339724 14.30621924 -0.13120465 0.12070143 0.18970899 Cu 5.34371932 14.31315104 16.09513803 0.11078487 0.15241496 0.01579041 Cu 3.60766923 16.07767272 16.09501180 -0.09713090 -0.21363366 -0.29606723 Cu 7.17262537 14.30459090 14.32643849 -0.13143941 0.33197226 0.13952061 Cu 8.97842831 16.09000900 14.32737934 -0.26610985 0.21266249 0.16315379 Cu 8.97134546 14.31837923 16.07403768 -0.18287495 0.14462572 0.28451645 Cu 7.17009569 16.11634135 16.14037461 -0.03083719 -0.50761568 -0.50264908 Cu 10.72445059 14.34675043 14.29424405 0.16748899 -0.07915172 0.39684875 Cu 12.49409552 16.08707021 14.30487025 0.25923324 0.12044225 0.26163029 Cu 12.54460806 14.32097568 16.09640469 -0.10775878 0.12002997 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