500 Lattice="17.896937643458667 0.0 0.0 0.0 17.896937643458667 0.0 0.0 0.0 17.896937643458667" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1580.7514857726171 stress="-2.7460498602185375 -1.061492426150945 -0.08128596903067375 -1.061492426150945 -2.5883615080831497 0.9265535051711549 -0.08128596903067375 0.9265535051711549 -3.3129549917774135" pbc="F F F" Cu 0.01640895 -0.00397218 0.01139562 0.56872132 0.59463536 0.60264267 Cu 1.80303525 1.76209307 -0.01074889 -0.15154800 0.08152801 -0.05713954 Cu 1.78003776 0.01459484 1.79105624 -0.02835780 -0.12817824 -0.07644916 Cu -0.01503439 1.80337201 1.78099149 -0.10133180 -0.10252660 -0.10027211 Cu 3.59851480 0.03447150 -0.01275988 -0.07154305 0.27057430 0.38399058 Cu 5.40282441 1.75741315 -0.01539486 -0.11651937 0.13468727 -0.05393936 Cu 5.37177245 0.00045934 1.79758366 -0.06284792 -0.13263512 -0.11581381 Cu 3.55854132 1.80819124 1.81529450 0.16363717 -0.18912728 -0.19336853 Cu 7.15922321 0.03120843 -0.01933137 0.00361376 0.11927240 0.22335970 Cu 8.92826462 1.80699921 -0.00254506 0.12641602 -0.11569933 -0.33321801 Cu 8.93523245 0.00412039 1.74486170 0.16045730 -0.25656729 0.03999870 Cu 7.19370708 1.76043157 1.76780089 -0.25133005 0.20904831 0.28491536 Cu 10.72585646 -0.02439036 -0.02113510 0.09882210 0.49012512 0.42293360 Cu 12.58132604 1.80776886 0.00981152 -0.15868667 -0.14316483 -0.11952335 Cu 12.52928763 0.01974473 1.82322017 -0.04764424 -0.11980189 -0.30082836 Cu 10.70447335 1.79024011 1.76216404 0.28437205 -0.06627423 0.02504048 Cu 14.33875824 -0.00931316 0.00601531 -0.05073353 0.40169305 0.46427080 Cu 16.08707985 1.79684068 0.03353003 -0.28376971 0.00449127 0.29144457 Cu 16.13515452 0.00849986 1.78744436 -0.44895182 0.42942284 0.06035219 Cu 14.35130811 1.76887853 1.75850074 -0.15756512 0.20390803 0.22380746 Cu 0.00906044 3.61040344 0.01679379 0.31706777 -0.16707678 0.29516749 Cu 1.75570251 5.37236319 0.00079505 0.18002639 -0.11177193 -0.16069718 Cu 1.79759028 3.54554124 1.80851534 -0.09606239 0.22991422 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0.23372059 -0.27663660 Cu 5.36688548 12.54047719 -0.02739862 -0.04661831 -0.06874638 -0.01209779 Cu 5.35461356 10.70954615 1.81043448 0.27097374 0.09801215 -0.24935930 Cu 3.59724260 12.51133456 1.82598401 -0.24016177 0.12487249 -0.12197274 Cu 7.18379469 10.77237757 -0.01939770 -0.19738528 -0.26094081 -0.04432993 Cu 8.92434378 12.50121160 0.00899116 0.18416446 0.17639637 -0.22718161 Cu 8.97021073 10.74196954 1.80458349 -0.14110253 0.03959103 -0.02304110 Cu 7.14139000 12.53667872 1.78510833 -0.02924850 -0.14449379 0.01496770 Cu 10.74165009 10.76842621 -0.00933490 0.07523457 -0.10076883 -0.21379881 Cu 12.56343476 12.58767885 0.01534066 -0.09464572 -0.16861498 -0.27941216 Cu 12.50349585 10.74342880 1.78112086 0.16916275 -0.11209464 -0.16821850 Cu 10.73583381 12.53764297 1.77871518 0.01769536 0.08417300 0.11733791 Cu 14.34697440 10.75015516 -0.03201711 -0.07839114 -0.04631685 -0.01308983 Cu 16.11545652 12.52545093 0.00394589 -0.33089939 0.08558649 0.29882357 Cu 16.14008836 10.76407164 1.78628485 -0.09010949 -0.11637401 0.08810444 Cu 14.28550970 12.51050959 1.76779272 0.31990110 0.08569279 0.07303179 Cu 0.02585088 14.35156026 0.00111457 0.40188732 -0.10326987 0.48113466 Cu 1.76467923 16.12331671 -0.01498565 0.08471608 -0.50156357 0.46667707 Cu 1.76006406 14.33472039 1.81596401 0.12634823 -0.23936403 -0.23993925 Cu 0.02896898 16.10586880 1.82106032 0.28295331 -0.28106195 -0.15404273 Cu 3.57095612 14.28382538 0.01032595 -0.07301554 0.22098936 -0.09979528 Cu 5.34169630 16.09990172 -0.00516270 0.08933282 -0.43301937 0.43683661 Cu 5.36810960 14.33355112 1.79965939 0.11000264 0.07184463 -0.22976438 Cu 3.52260336 16.07447414 1.78125593 0.16074981 0.25906878 -0.09937988 Cu 7.19225836 14.28381459 -0.02350094 -0.21506831 0.29453798 -0.08709166 Cu 8.92738382 16.12276293 -0.00500442 0.02413267 -0.39258341 0.33016913 Cu 8.89611277 14.30444750 1.79270210 0.26569737 0.16948383 -0.07851790 Cu 7.19300369 16.12471410 1.81142504 -0.20636598 0.04118163 -0.21085768 Cu 10.74132601 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Cu 5.35906672 5.35759856 14.29907856 0.11140323 0.09293243 0.08547862 Cu 5.39370589 3.59007364 16.09014841 -0.03503084 -0.11275444 0.19190169 Cu 3.58206168 5.34737884 16.08379005 -0.07491418 0.13427654 0.18111647 Cu 7.19422734 3.53779450 14.33268506 -0.29028482 0.22535621 -0.15439604 Cu 8.93741156 5.39354014 14.33441351 0.02835923 -0.16858869 -0.25319285 Cu 8.98323529 3.57362538 16.11188725 -0.14972058 0.10952032 0.29190122 Cu 7.14788899 5.39912121 16.08014668 0.04744842 -0.19009505 0.25197539 Cu 10.72846773 3.59717987 14.33921094 0.11909234 -0.19671402 -0.15381952 Cu 12.50440541 5.39925818 14.28354356 0.19985144 -0.07856734 0.12186163 Cu 12.52800860 3.61021199 16.07575110 0.06360320 -0.20850295 0.15908724 Cu 10.71804093 5.38844442 16.09162088 0.05152247 -0.06193725 0.34461919 Cu 14.32376242 3.60295964 14.28905882 -0.13358801 -0.34488373 0.14217411 Cu 16.08188171 5.37447631 14.29494654 0.22869909 0.18559838 0.20861259 Cu 16.07882275 3.58312357 16.07963086 -0.19683844 -0.12661672 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0.22085498 -0.34683493 Cu 12.54828492 8.95953452 14.34582443 -0.21296327 -0.11109012 -0.15794210 Cu 12.51838070 7.12516435 16.10835100 0.13272378 0.08059584 0.19827998 Cu 10.75729488 8.98225826 16.12793348 -0.04531694 -0.17361461 0.19222258 Cu 14.31231996 7.18528699 14.31756390 0.07303426 -0.20379931 0.13856569 Cu 16.11582305 8.95002061 14.33947222 0.08986127 -0.02295769 0.03917674 Cu 16.10783548 7.17887370 16.13369682 -0.37524826 -0.08189396 -0.40924942 Cu 14.31040917 8.93248177 16.12959203 0.02716483 0.10325772 0.13327190 Cu 0.03541877 10.70313133 14.34255146 -0.21102776 0.15565868 -0.13551300 Cu 1.76418144 12.58023561 14.29475847 0.11297068 -0.21557083 0.31039293 Cu 1.76210160 10.72034842 16.12406405 0.19444262 0.16273442 0.05238148 Cu -0.02911700 12.49658233 16.13325358 0.41675370 0.07631375 -0.41570899 Cu 3.59734801 10.76311123 14.30144342 -0.22307297 -0.10148744 0.27806420 Cu 5.38838319 12.50507840 14.29489076 -0.07874712 0.19140193 0.10632195 Cu 5.37479480 10.76920698 16.12563711 -0.07946283 -0.10249177 0.08483093 Cu 3.58341839 12.53669186 16.12783717 -0.16348712 0.03472427 0.01481219 Cu 7.19418862 10.72317908 14.28841950 -0.18338288 0.15803291 0.17079844 Cu 8.95048921 12.54623649 14.30018550 0.19684862 -0.20181366 0.08957390 Cu 8.91861137 10.71549144 16.09608076 0.17005561 0.24031532 0.25112689 Cu 7.14315802 12.52061699 16.07545155 0.14657717 0.13548381 0.22937010 Cu 10.75439906 10.71709022 14.32199051 -0.14287495 0.27327973 -0.20328599 Cu 12.53994825 12.49846916 14.34097410 -0.08054318 0.38187488 -0.20093819 Cu 12.50119335 10.77887167 16.09016292 0.22298969 -0.16784510 0.39951048 Cu 10.76961899 12.57342059 16.10890306 -0.16397290 -0.03802240 0.09003551 Cu 14.28396159 10.72862627 14.29856760 0.36242324 0.09139917 0.21646392 Cu 16.13974934 12.58988266 14.30639633 -0.08977520 -0.22905825 0.21203222 Cu 16.09396124 10.71952894 16.08286776 -0.35657585 0.11597143 -0.34945494 Cu 14.30883651 12.53002884 16.12767002 0.30067118 0.04342627 -0.01170871 Cu 0.02860266 14.31897793 14.35554482 -0.20621650 0.22394832 -0.06879647 Cu 1.82351171 16.13599418 14.31615870 -0.24680194 -0.02167757 0.13973380 Cu 1.75124348 14.31881112 16.10975408 0.08023101 0.09334423 0.16100574 Cu -0.01213537 16.09849677 16.14162937 0.66340324 -0.59275716 -0.66759739 Cu 3.58818835 14.34486603 14.34903165 -0.07781429 -0.09303765 -0.11104106 Cu 5.39634208 16.14062570 14.29416558 -0.07373690 0.03874479 0.14766231 Cu 5.37560673 14.32294762 16.07373638 0.03343086 0.13785504 0.15165116 Cu 3.55814252 16.12552596 16.13019446 0.02155671 -0.40885752 -0.40289529 Cu 7.17769264 14.30647804 14.29170451 -0.10849724 0.19057005 0.21156428 Cu 8.92254231 16.12879594 14.28806661 0.06009370 0.19613240 0.17821257 Cu 8.98961118 14.31935951 16.09603913 -0.23207506 0.07390618 0.13954089 Cu 7.18313599 16.11471086 16.08591177 -0.02071401 -0.38321660 -0.32177946 Cu 10.71274772 14.36265892 14.29291529 0.28246720 -0.12243333 0.19648391 Cu 12.55185565 16.11963954 14.34766867 -0.17653153 0.18768061 -0.12136077 Cu 12.59252089 14.32820132 16.08413569 -0.25659731 0.06310900 0.20484172 Cu 10.71708661 16.10463727 16.12168021 0.08237636 -0.33025155 -0.38966862 Cu 14.31165563 14.35128763 14.31276184 0.14419465 -0.19298904 0.05114656 Cu 16.07428247 16.12411472 14.33756545 -0.34764367 -0.41746948 -0.04603771 Cu 16.11868001 14.35662409 16.10206959 -0.54028934 -0.06211493 -0.44924716 Cu 14.29136908 16.12452706 16.09186256 0.14756498 -0.34216183 -0.28488986