500 Lattice="17.927429291766753 0.0 0.0 0.0 17.927429291766753 0.0 0.0 0.0 17.927429291766753" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1869.7136586818756 stress="-0.004103753188316322 -0.00017617100122021713 3.3965756290655126e-05 -0.00017617100122021713 -0.003866883005393441 -0.0001809801998843106 3.3965756290655126e-05 -0.0001809801998843106 -0.0039008321040486923" free_energy=-1869.7136586818756 pbc="F F F" Cu 0.02361921 0.02369610 0.01313739 0.39069189 0.41259706 0.41785773 Cu 1.79808127 1.79056685 0.02505073 -0.07915324 -0.10262961 0.28083012 Cu 1.79414249 0.01868619 1.79780722 -0.10900314 0.25642204 -0.15231880 Cu 0.01003612 1.78469033 1.82457563 0.23173228 -0.00522908 -0.20568010 Cu 3.57484556 0.01787533 0.00202376 -0.06498302 0.23664312 0.29874912 Cu 5.36676055 1.80859678 0.00348370 -0.00188876 -0.07614589 0.09374294 Cu 5.41943045 0.01896702 1.73218687 -0.06427434 0.15021331 0.08148606 Cu 3.61493105 1.81838824 1.77918040 -0.21761886 -0.33229473 -0.12451123 Cu 7.17919715 0.03360396 0.00099837 0.03254424 0.30103177 0.15655120 Cu 8.97801668 1.79095629 0.01238741 0.07387095 -0.19332152 0.09050729 Cu 8.94575058 0.01541792 1.79224993 0.01728958 0.14268891 -0.16391848 Cu 7.18264905 1.81200493 1.77877229 -0.06254299 -0.32065073 -0.26795311 Cu 10.79096647 0.02732413 0.02589556 -0.01221999 0.20369774 0.22974321 Cu 12.53852510 1.81139581 0.00446902 0.10824286 -0.08674233 0.16669514 Cu 12.57079202 0.02688788 1.82262049 0.00163129 0.08269737 -0.13683585 Cu 10.74877412 1.78701362 1.78314152 0.06542182 -0.26110993 -0.07889696 Cu 14.36182035 0.01821055 0.01968361 -0.10123423 0.31851693 0.33529188 Cu 16.11444777 1.80192103 0.03043808 -0.30908113 0.01119742 0.37101916 Cu 16.11422901 0.03275137 1.82393809 -0.32338694 0.23809592 -0.06466071 Cu 14.32645102 1.80135940 1.79802377 0.21761836 -0.15091490 -0.25172214 Cu 0.02580256 3.56705621 0.02329131 0.29619850 -0.11882566 0.20822224 Cu 1.81854751 5.43229780 0.03064223 -0.28270328 -0.17851906 -0.03937131 Cu 1.81701534 3.59831603 1.78694337 -0.35978984 -0.17140780 -0.12901247 Cu 0.01123820 5.35109537 1.75180340 0.18963300 0.06162305 0.07165548 Cu 3.58749332 3.61913298 0.01315382 -0.11042120 -0.09179150 -0.05787172 Cu 5.41924770 5.35371328 0.01253152 -0.10684273 0.09615111 0.00510598 Cu 5.36102683 3.58239221 1.77501233 0.15234445 0.06241755 -0.15414142 Cu 3.55664964 5.34939693 1.78678435 0.24358616 0.25484704 -0.12273526 Cu 7.19606885 3.55630426 0.00054786 -0.02327830 0.01625531 0.01716791 Cu 8.93911597 5.40543409 0.01978804 0.15861020 -0.12341191 -0.04863939 Cu 8.97555948 3.57151780 1.76018638 0.00766352 0.17919642 -0.06263450 Cu 7.15841862 5.39303031 1.77936237 0.12588893 -0.23055937 -0.07816681 Cu 10.76127612 3.59392588 0.04682404 -0.05604629 -0.01565420 -0.08969827 Cu 12.54910217 5.36358546 0.01299204 0.04564184 0.01610043 -0.00693090 Cu 12.53250792 3.60657268 1.80065572 0.15193751 -0.12808683 -0.20532679 Cu 10.78430157 5.41678619 1.79153385 -0.23467382 -0.28769441 -0.18738886 Cu 14.33134109 3.60665137 0.01320461 0.16909898 -0.07074358 0.15084722 Cu 16.12512280 5.41298927 0.00467084 -0.27497461 -0.03807451 0.27099622 Cu 16.12015596 3.59375098 1.80603825 -0.10940197 -0.09541528 -0.27973452 Cu 14.33633031 5.39075582 1.78453827 0.23819278 -0.06431698 -0.21570217 Cu 0.01160143 7.19181243 0.02360826 0.19350984 -0.00116846 0.26556650 Cu 1.74609552 8.94236407 0.02500281 0.08637623 0.08693353 0.17556182 Cu 1.78969989 7.14517263 1.78123731 -0.15840134 0.11523719 -0.03433801 Cu 0.03321969 8.96452728 1.82235170 -0.02704683 0.03106277 -0.34165374 Cu 3.56602139 7.18797844 0.02671063 0.07093611 -0.07877377 0.00442480 Cu 5.35139187 8.94053834 0.03439383 0.16388366 0.09990287 -0.06298795 Cu 5.38694913 7.16794699 1.78062861 -0.13138618 0.06763681 -0.23123957 Cu 3.58718181 8.99437513 1.78532441 -0.11566717 -0.17226177 -0.14422726 Cu 7.18907514 7.15236144 0.01635662 -0.14560718 0.21023064 -0.00783378 Cu 8.99581682 8.94492153 0.00765306 -0.07794574 -0.02027223 0.09307464 Cu 8.94686557 7.13723688 1.77258994 0.04479568 0.19266940 -0.04697701 Cu 7.15866390 8.98811470 1.81298424 0.13431407 -0.15595517 -0.39354514 Cu 10.80803648 7.19503824 0.05754701 -0.09132290 -0.08250840 -0.11261742 Cu 12.54000653 8.98729245 0.03241730 0.11746374 -0.10647543 -0.08234352 Cu 12.53878846 7.14263336 1.82658134 0.18197171 0.24340122 -0.38482844 Cu 10.74438177 8.97800856 1.77798203 0.09365558 -0.07923934 -0.13038222 Cu 14.30844745 7.17410795 0.02841795 0.07638204 0.01435649 0.05911658 Cu 16.12384108 8.96360321 0.00694188 -0.29344065 0.01758696 0.26443459 Cu 16.14468255 7.17196256 1.74473323 -0.19371480 0.05048028 0.08528018 Cu 14.31099909 8.91962910 1.80775611 0.48102438 0.13058215 -0.25948054 Cu 0.00938533 10.75028977 0.01380302 0.24485019 -0.05552547 0.21598728 Cu 1.82436607 12.55975441 0.02073314 -0.11051411 0.09259208 0.04304439 Cu 1.77790651 10.74964676 1.78940446 -0.13172960 0.12450411 -0.19941928 Cu 0.02977315 12.54185575 1.74564068 0.08285175 -0.02231590 0.10196575 Cu 3.60266734 10.78617554 0.04556332 -0.22202137 -0.23603447 -0.15278802 Cu 5.34816880 12.53891698 0.02898924 0.19478211 0.08600421 -0.04411001 Cu 5.35509314 10.73453939 1.78908122 0.20978344 0.13012510 -0.16940433 Cu 3.59624069 12.52668785 1.78438177 -0.10792597 0.21764516 -0.06438932 Cu 7.19967106 10.76155207 0.04983568 -0.12966015 -0.02983260 -0.02456484 Cu 8.94150982 12.56541892 0.01249033 0.23485095 -0.01758065 0.04860102 Cu 8.98723777 10.79701212 1.79977080 -0.14834020 -0.13705067 -0.32288401 Cu 7.14457105 12.57434883 1.81503610 0.06663569 -0.19616518 -0.38741269 Cu 10.77568321 10.72979391 0.02332307 -0.18323390 0.11784617 -0.07848630 Cu 12.53204269 12.52350785 0.01505862 0.09536463 0.08161188 -0.01247958 Cu 12.55020811 10.72831380 1.76168696 0.06535818 0.18817817 0.06863583 Cu 10.78853569 12.52564462 1.80267399 -0.08933575 0.14175641 -0.26469484 Cu 14.33516674 10.74587993 0.00336101 0.17314015 0.03680888 0.17893402 Cu 16.15495186 12.54462532 0.01101082 -0.24375917 0.06158288 0.35271459 Cu 16.12411778 10.78595562 1.81242506 -0.12456025 -0.25574082 -0.20485447 Cu 14.35552494 12.51289474 1.82252688 0.17492625 0.18683122 -0.38643970 Cu 0.00039212 14.35530524 0.03203289 0.21027190 -0.08181749 0.20427215 Cu 1.77330539 16.09953486 0.00947989 0.04289193 -0.32124360 0.28872992 Cu 1.75406724 14.32162134 1.76059482 0.06538362 0.29980201 0.03601617 Cu 0.01352701 16.12100556 1.76964541 0.32753857 -0.30021770 0.15193342 Cu 3.62422023 14.36789442 0.03512925 -0.12240976 0.12922006 0.12596390 Cu 5.43917491 16.12610205 0.00380612 0.03727648 -0.22353323 0.29363101 Cu 5.39077468 14.35045949 1.77710086 -0.12314436 0.20981530 -0.16669976 Cu 3.59387542 16.15576821 1.82695949 -0.12768719 -0.18827652 -0.28899913 Cu 7.18916829 14.32795728 0.02293632 -0.12236545 0.15888549 0.07413891 Cu 9.00006576 16.14021980 0.02385126 -0.09595468 -0.23764762 0.24486291 Cu 8.95391740 14.34870761 1.75951381 0.10763307 0.12186044 -0.12421268 Cu 7.17629825 16.11563138 1.82020270 0.01864280 -0.09160892 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14.33909876 -0.00996834 0.08514477 0.35871602 Cu 12.53696607 8.93376511 14.36572845 0.15933626 0.19624998 0.45650604 Cu 12.52166778 7.13614068 16.16736057 0.17513910 0.18326496 -0.12517299 Cu 10.71674404 8.94321542 16.11920889 0.05883287 0.03599072 0.00192315 Cu 14.35097040 7.14695846 14.30788325 0.15420164 0.06378664 0.46882527 Cu 16.10649188 8.98443583 14.36734272 -0.10637623 -0.05324701 0.09329355 Cu 16.10705117 7.15337128 16.14862206 -0.23058197 -0.09161350 -0.35311288 Cu 14.38066040 8.96903782 16.14473726 -0.10265098 -0.02533054 -0.20141195 Cu 0.02133252 10.76083367 14.33794714 -0.00255669 0.08843525 0.16689980 Cu 1.76956812 12.56835913 14.35745032 -0.12984095 -0.08959041 0.12364700 Cu 1.81314934 10.78342772 16.16837330 -0.07107509 -0.07671030 -0.23000652 Cu 0.02562495 12.52799868 16.14131427 0.21392674 0.09010659 -0.19974370 Cu 3.61296953 10.74047264 14.36473499 -0.21163393 0.06204537 0.25656374 Cu 5.34460572 12.56736980 14.34734414 0.24314266 -0.10987390 0.23215270 Cu 5.35951453 10.76201499 16.12474853 0.17323506 0.02643917 0.01803724 Cu 3.59783721 12.51851963 16.10061940 -0.13835216 0.16029579 0.09340504 Cu 7.17189871 10.74440019 14.33861460 -0.03885460 0.07534905 0.37174357 Cu 8.94061746 12.54538909 14.31624971 0.21967149 0.10418928 0.50219848 Cu 8.94395339 10.76510195 16.11859128 0.16864280 0.05162618 -0.05936365 Cu 7.20471604 12.56376943 16.13921972 -0.15008250 -0.09230241 -0.05522224 Cu 10.75514806 10.77802991 14.32938563 0.13217882 -0.13564760 0.37652323 Cu 12.59447821 12.53895185 14.36892364 -0.22952960 0.10244477 0.12676226 Cu 12.52359046 10.76904435 16.15767116 0.13742196 -0.19026834 -0.07763515 Cu 10.78228115 12.53851960 16.08162252 -0.19389254 0.13774134 0.04463197 Cu 14.36069911 10.78190747 14.30943051 0.13419822 -0.21409434 0.37612953 Cu 16.16414971 12.53636521 14.31264546 -0.19019663 0.09513454 0.19409851 Cu 16.10127650 10.77245886 16.12220935 -0.17915015 0.14186515 -0.27189663 Cu 14.32195191 12.52616675 16.09968994 0.19754670 0.10942037 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