500 Lattice="17.872170252489102 0.0 0.0 0.0 17.872170252489102 0.0 0.0 0.0 17.872170252489102" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1617.2861502867866 stress="-0.005836649113248674 0.00011116824219100361 2.2346524950601495e-05 0.00011116824219100361 -0.005510092876681086 2.2092227523806752e-05 2.2346524950601495e-05 2.2092227523806752e-05 -0.00574467953473265" free_energy=-1617.2861502867866 pbc="F F F" Cu 0.02564857 0.00982875 0.03063916 0.40941755 0.49049221 0.45582654 Cu 1.80003091 1.75881793 0.01152691 -0.10912228 0.10169965 -0.13036746 Cu 1.75316192 0.00851992 1.77349079 0.18756876 -0.10756069 0.01485879 Cu 0.01494589 1.79620592 1.81575113 -0.16287086 -0.07845421 -0.23904088 Cu 3.59870531 0.00135836 0.01973974 -0.11045562 0.21532158 0.22817803 Cu 5.39483721 1.75516253 0.00314166 -0.19964783 0.09532126 -0.24100706 Cu 5.36618036 0.00127985 1.76858416 -0.10336911 -0.10934714 0.12553027 Cu 3.56106316 1.81715039 1.74288081 0.17311547 -0.36953252 0.18120348 Cu 7.16320869 0.01407647 0.01495379 0.01165996 0.14883541 0.18900392 Cu 8.91413064 1.80857476 0.00284552 0.21480988 -0.09653752 -0.17316932 Cu 8.95943727 0.03349279 1.75492321 -0.11124169 -0.15597858 0.15452015 Cu 7.12340891 1.78291418 1.76470864 0.17133167 -0.09948849 0.14520813 Cu 10.73202256 0.01589274 0.01003373 -0.13126379 0.16705102 0.13615289 Cu 12.47666055 1.75305496 0.03065020 0.26332609 0.15375865 -0.32681328 Cu 12.47768812 0.01484087 1.77385482 0.30338079 -0.30564996 0.04178118 Cu 10.75422616 1.75407552 1.79270357 -0.41303635 0.27523817 -0.02142196 Cu 14.32783100 0.02282817 0.01817001 -0.11070797 0.30671215 0.34998899 Cu 16.09740172 1.76453137 0.02611331 -0.29972558 0.08831111 0.27158701 Cu 16.10061795 0.03239852 1.79562642 -0.34423808 0.31685758 0.09298710 Cu 14.29695479 1.80632144 1.78117171 0.18356549 -0.32317035 -0.11645602 Cu 0.01517235 3.55522871 0.02636532 0.32222699 0.04471454 0.29241895 Cu 1.79587750 5.38497783 0.03247895 -0.10392349 -0.20106659 -0.18107306 Cu 1.79705424 3.54547217 1.82222606 -0.14389697 0.19513536 -0.46878786 Cu 0.00977260 5.35902550 1.81903926 -0.23601030 -0.07924687 -0.24173575 Cu 3.58752054 3.60784416 0.01842745 -0.13617890 -0.19959249 -0.36734558 Cu 5.37019280 5.37584490 0.00090511 -0.07916718 -0.05257851 -0.22276434 Cu 5.34440537 3.54706462 1.75512237 0.17518956 0.11447150 0.17929132 Cu 3.59637850 5.32428579 1.79454377 -0.15721875 0.22995755 -0.13082373 Cu 7.16136550 3.56467986 0.01807780 -0.13413870 0.04373778 -0.37171047 Cu 8.90663720 5.38244313 0.01732024 0.09097682 -0.17667434 -0.28629910 Cu 8.90796811 3.55355045 1.76616676 0.29077787 0.07613870 0.14066277 Cu 7.13878995 5.32869680 1.76553402 -0.03622727 0.11514473 0.18808386 Cu 10.74610598 3.60509714 0.01902024 -0.26733566 -0.18357415 -0.22594082 Cu 12.48404359 5.33571948 0.00931296 0.28877073 0.16703082 -0.15877370 Cu 12.48820489 3.55003700 1.75709245 0.14214623 0.19248968 0.19754177 Cu 10.70906394 5.36946961 1.79135917 0.13489881 -0.05616615 0.06067457 Cu 14.33098853 3.55206534 0.01055172 -0.18741744 0.08092245 -0.17705918 Cu 16.08689544 5.35390108 0.00117099 -0.36978810 0.08576959 0.38158158 Cu 16.06223296 3.57306640 1.74796536 0.22254930 0.01990728 0.16673656 Cu 14.27516580 5.36261950 1.82214847 0.16210361 -0.10282935 -0.44532951 Cu 0.00471781 7.12610805 0.01563075 0.29920174 0.10999060 0.28725683 Cu 1.82031980 8.95931815 0.03208883 -0.19948722 -0.15761693 -0.20462252 Cu 1.76164948 7.12267021 1.78093709 0.14019382 0.14178806 -0.06044860 Cu 0.03486940 8.94291170 1.79714151 -0.23078791 -0.01207808 -0.13156105 Cu 3.55682362 7.17575068 0.02909314 0.05486390 -0.17459350 -0.23752856 Cu 5.33969819 8.92460177 0.02714215 0.14456641 0.09914413 -0.18676068 Cu 5.33650051 7.13146913 1.77562263 0.14271526 0.09718922 0.15098841 Cu 3.56926234 8.94326484 1.80560080 0.08582309 -0.10305081 -0.11198807 Cu 7.11733127 7.13961458 0.03107453 0.09999372 0.13038740 -0.23211212 Cu 8.91763972 8.94602359 0.02458589 0.06367257 -0.21291204 -0.33012249 Cu 8.94789123 7.13311170 1.75897195 -0.21245142 0.16385128 0.20727146 Cu 7.17262022 8.94694364 1.80605422 -0.18979165 -0.17605722 -0.08098021 Cu 10.70267228 7.11653630 0.02438060 0.12714707 0.11595740 -0.32022085 Cu 12.51724532 8.91527920 0.00558197 -0.07982454 0.17360093 -0.22967281 Cu 12.54301690 7.16596918 1.76535428 -0.33598090 -0.27044308 0.13452491 Cu 10.73814038 8.91286319 1.76143201 -0.07633229 0.08592328 0.10983229 Cu 14.32278783 7.18407136 0.02423808 -0.04086846 -0.33714883 -0.28785064 Cu 16.08024369 8.94598272 0.03425261 -0.22256760 0.07549498 0.17305067 Cu 16.05495126 7.17733643 1.80058191 0.24246366 -0.16827330 -0.06276345 Cu 14.29262936 8.90415487 1.76011879 0.16387583 0.38920251 0.14128423 Cu 0.03329991 10.68308285 0.00172866 0.20550429 0.07513201 0.28438354 Cu 1.75737667 12.49030007 0.03405044 0.13808652 0.14493493 -0.24194446 Cu 1.80813446 10.75374582 1.79044850 -0.23579753 -0.11294977 -0.02020687 Cu 0.01268392 12.53154773 1.77573035 -0.26729302 -0.18377103 0.03679822 Cu 3.56713115 10.71047319 0.00674303 0.07906662 0.09552536 -0.13607274 Cu 5.35950827 12.48150586 0.00216093 -0.06098920 0.13861670 -0.21174654 Cu 5.39589763 10.73163512 1.79497411 -0.16715960 -0.14753055 -0.14230657 Cu 3.60980706 12.50317683 1.80389263 -0.11203545 0.10604389 -0.17671282 Cu 7.18445435 10.72032732 0.00325938 -0.22532555 -0.05660037 -0.20870813 Cu 8.90945341 12.50951761 0.00988145 0.17464333 0.13013860 -0.16653038 Cu 8.94794525 10.69585335 1.75763003 -0.15607694 0.21196391 0.36767489 Cu 7.12946287 12.51496868 1.75206474 0.22552651 -0.10362150 0.27625064 Cu 10.68959264 10.71163252 0.03085801 0.24175590 0.07686393 -0.26758880 Cu 12.50953176 12.49209135 0.03118441 -0.04608692 0.11495648 -0.15612719 Cu 12.53263683 10.73651285 1.81773130 -0.14080239 -0.10915464 -0.46042225 Cu 10.70033182 12.50266109 1.80164276 0.08370891 0.04910219 -0.14659776 Cu 14.26517388 10.74849840 0.01514335 0.22301082 -0.07227371 -0.10734896 Cu 16.09001562 12.53830508 0.02202588 -0.33212625 -0.05989039 0.18309467 Cu 16.09842275 10.74213994 1.76231044 -0.03942387 -0.05331018 0.10418096 Cu 14.32962486 12.54573342 1.81515689 -0.10967616 -0.26807361 -0.29340833 Cu 0.01564652 14.35655839 0.01473015 0.31374762 -0.15758018 0.28913168 Cu 1.81042955 16.07371056 0.01523909 -0.00109380 -0.23221536 0.32252015 Cu 1.75203694 14.27829963 1.78584003 0.13025226 0.26167956 -0.11785908 Cu 0.02332350 16.11543039 1.76867609 0.31265381 -0.37664526 0.10135729 Cu 3.54349298 14.32596082 0.05084586 0.15341618 -0.15821520 -0.21709805 Cu 5.38553226 16.06476526 0.00888357 -0.10747119 -0.18156563 0.25350874 Cu 5.38482129 14.31978358 1.76243625 -0.24750282 -0.10937715 0.16773409 Cu 3.56684931 16.10006871 1.80821010 0.04725963 0.05827912 -0.07292660 Cu 7.12552452 14.28842689 0.02227752 0.18474543 0.08063866 -0.19070232 Cu 8.91709326 16.06916782 0.01648013 0.01220991 -0.28014565 0.23270135 Cu 8.97066039 14.32466105 1.81378201 -0.28398903 -0.20327435 -0.28006610 Cu 7.14003173 16.09058531 1.80067490 0.14424776 0.09243879 -0.04118215 Cu 10.74196826 14.30158614 0.02580233 -0.10607617 -0.11078570 -0.21661404 Cu 12.48383377 16.06616034 0.02544460 0.14646226 -0.18873823 0.28607406 Cu 12.48476136 14.30353307 1.81880645 0.25213006 0.05761110 -0.17080965 Cu 10.70386396 16.04957960 1.77248291 0.07834078 0.32935071 0.07177853 Cu 14.26391993 14.30612427 0.04667351 0.12149345 0.11979005 -0.16833799 Cu 16.07569340 16.10154451 0.02978823 -0.55049201 -0.58158057 0.54482916 Cu 16.06024754 14.26486614 1.76872383 0.27394004 0.39364033 -0.04053437 Cu 14.33241415 16.11975089 1.81293662 -0.15077530 -0.07237959 -0.17541885 Cu 0.00786088 0.01595108 3.54845753 0.21023371 0.22110817 0.06015721 Cu 1.80711300 1.77380311 3.56156434 -0.19038853 -0.02157991 -0.00368016 Cu 1.79068855 0.03240938 5.31585719 -0.11153477 -0.31620919 0.15641768 Cu 0.02018273 1.78371038 5.37201273 -0.19563514 0.03950631 -0.14230511 Cu 3.54749554 0.02034122 3.59290915 0.26616661 -0.21504993 -0.22082003 Cu 5.36509807 1.78913300 3.55912096 -0.13157508 -0.07452501 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8.91069195 14.30646182 0.16639282 0.14324367 -0.01292409 Cu 12.47814881 7.14019002 16.05533127 0.22837143 0.21258436 0.41234002 Cu 10.69592505 8.97229915 16.05021378 0.11099630 -0.06268130 0.36734997 Cu 14.31114400 7.12475682 14.27620278 0.11918808 0.29637737 0.25730818 Cu 16.08944412 8.97148067 14.28424073 0.02348701 -0.14071169 0.00488938 Cu 16.09305900 7.18999469 16.06031765 -0.36360050 -0.06037902 -0.29751222 Cu 14.30661810 8.96388882 16.05547160 0.07726557 -0.15917499 0.14844783 Cu 0.03289800 10.70149487 14.28602360 -0.33644814 0.10068385 0.10068515 Cu 1.78550672 12.49829235 14.33247821 0.09585084 0.08192380 -0.07373396 Cu 1.76195406 10.70351757 16.06886433 0.23179573 0.07848061 0.19496405 Cu 0.01120677 12.47749445 16.05328038 0.23599587 0.14135635 -0.21731260 Cu 3.61090744 10.69251949 14.26275367 -0.26236380 0.40649154 0.33614838 Cu 5.39524624 12.52324052 14.29200229 -0.14007488 -0.07543618 0.17842083 Cu 5.35354505 10.74867990 16.08341969 0.12311609 -0.08995369 0.18690144 Cu 3.60442348 12.49231235 16.08054039 -0.21975074 0.02673822 0.08423566 Cu 7.12571167 10.69847299 14.29721249 0.26895202 0.14654735 0.24690748 Cu 8.92860500 12.53833946 14.30481116 0.23836792 -0.08897531 0.06115530 Cu 8.91377908 10.74259027 16.06392299 0.10498407 -0.04729741 0.12070882 Cu 7.16709671 12.53233104 16.09032658 -0.09621591 -0.10775073 0.16241626 Cu 10.75461505 10.68975611 14.26573339 -0.28248792 0.35053985 0.35121998 Cu 12.48307186 12.54423502 14.29779831 0.23879898 -0.09721104 0.10123682 Cu 12.52785119 10.70402408 16.09408678 -0.10238614 0.14825875 0.09077551 Cu 10.75125967 12.52288458 16.08135183 -0.20321496 -0.07249871 0.06933774 Cu 14.28475164 10.75778283 14.33130232 0.11968748 -0.08328688 -0.11950726 Cu 16.07634817 12.52349693 14.28962916 0.15951825 0.07062893 0.11670086 Cu 16.10504893 10.75056791 16.08394185 -0.29724011 -0.07705268 -0.32558140 Cu 14.32585271 12.49063636 16.11249719 -0.12537487 0.19780363 0.02746036 Cu 0.03417388 14.30115438 14.28717856 -0.08113135 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