256 Lattice="14.221009318807834 0.0 0.0 0.0 14.221009318807834 0.0 0.0 0.0 14.221009318807834" Properties=species:S:1:pos:R:3:forces:R:3 energy=-799.4603470076426 stress="-0.00604172783899686 -0.00041432769920556875 -0.0002656942600513201 -0.00041432769920556875 -0.006337162841097579 -0.0004109984660575407 -0.0002656942600513201 -0.0004109984660575407 -0.006085913776506062" free_energy=-799.4603470076426 pbc="F F F" Cu 0.01040541 0.03065914 0.01128510 0.33825771 0.28748085 0.35000369 Cu 1.74842291 1.75261341 0.01359336 0.23619623 0.24127066 -0.22449081 Cu 1.76522876 0.00120810 1.76717608 -0.01693917 -0.21847558 0.13187153 Cu 0.02318802 1.74582018 1.77180869 -0.26059046 0.13761367 0.09624622 Cu 3.54666944 0.00483908 0.01772646 -0.06033293 0.13110487 0.08921837 Cu 5.30496454 1.79610864 0.01893159 0.09472499 -0.10630555 -0.31252518 Cu 5.32732957 0.00101861 1.75740694 0.13444113 -0.28551031 0.05070622 Cu 3.55052759 1.74508232 1.77373714 -0.13882847 0.38185671 -0.13017657 Cu 7.12218310 0.02316996 0.02799500 -0.10427745 0.12767585 0.08419148 Cu 8.87103610 1.77054026 0.01282306 0.16212946 -0.00812997 -0.20481359 Cu 8.85834121 0.03508787 1.81086956 0.28071565 -0.20870916 -0.10561445 Cu 7.06669207 1.79599649 1.76098770 0.25193974 -0.24304802 0.17037861 Cu 10.67463833 0.01786552 0.03127503 -0.26699090 0.20795499 0.17555021 Cu 12.44721643 1.75589495 0.02600037 -0.20652871 0.21042383 0.09581248 Cu 12.41732288 0.01688336 1.74754743 -0.17983435 0.15249274 0.28351587 Cu 10.66243534 1.81253368 1.75182061 0.02935413 -0.31701718 0.22868779 Cu 0.00679641 3.57806745 0.01183346 0.11062245 -0.14131475 0.24166768 Cu 1.75426224 5.32220133 0.01228295 0.14186111 -0.01234472 -0.23621621 Cu 1.75744220 3.54489512 1.77012655 0.22316117 0.04987466 -0.09543115 Cu 0.00512145 5.36523933 1.80131321 -0.30761557 -0.32767904 -0.13595347 Cu 3.58582584 3.57698506 0.00622694 -0.24657643 -0.13018309 -0.10868286 Cu 5.35449748 5.36138374 0.00676103 0.14318363 -0.19659779 -0.25306481 Cu 5.35141276 3.53876325 1.80701057 -0.21070039 0.23849374 -0.13135864 Cu 3.57856868 5.34364243 1.75145603 -0.14481199 -0.21112148 0.15896067 Cu 7.13077070 3.53564713 0.00393025 -0.28107620 0.12122415 -0.26499604 Cu 8.85599153 5.31500384 0.00897263 0.17030121 0.13103045 -0.19479077 Cu 8.85649922 3.54855099 1.77121940 0.06285823 0.03475585 -0.08225223 Cu 7.09923672 5.36117978 1.79149310 0.09926035 -0.22162815 -0.04212522 Cu 10.65966076 3.54987150 0.00943788 -0.09796504 -0.03605585 -0.28743360 Cu 12.41847374 5.29973551 0.02529454 -0.12633600 0.16064437 0.12429026 Cu 12.43605577 3.55705644 1.74826724 0.22625784 -0.14452177 0.19680272 Cu 10.63782993 5.31096381 1.78771441 0.20358777 0.26405651 -0.16453094 Cu 0.01258970 7.11678252 0.04239687 0.01190025 -0.10173165 -0.06603686 Cu 1.77131207 8.86546298 0.03297710 0.15725797 0.15563722 -0.42244179 Cu 1.77527163 7.07676546 1.75640074 0.22368017 0.31162169 0.16820456 Cu 0.03362355 8.85993459 1.76639126 -0.22894567 0.28452358 0.27569900 Cu 3.56131329 7.08971953 0.01900722 -0.12121099 0.12705513 -0.33895143 Cu 5.30711823 8.88289277 0.00254314 0.19689846 0.09020758 -0.07672704 Cu 5.34639502 7.11641161 1.76306941 -0.15909652 0.29505624 0.14403690 Cu 3.53197651 8.90661672 1.77833735 0.15940643 -0.35726578 -0.00191850 Cu 7.14002695 7.14227059 0.01724118 -0.01192643 0.03680878 -0.21391928 Cu 8.92587088 8.90998433 0.02833082 -0.20825249 -0.04369738 -0.35984769 Cu 8.90331376 7.10340220 1.80469497 -0.06382310 0.02945524 -0.19223002 Cu 7.13516859 8.90679717 1.80120903 -0.22182671 -0.03017340 -0.36922262 Cu 10.67372235 7.09080821 0.00290238 -0.09950195 -0.09095281 -0.14748071 Cu 12.41621598 8.89547153 0.00429384 -0.19968609 0.13579566 0.10394613 Cu 12.45600538 7.13784958 1.75790226 0.00377050 -0.22126328 0.12334693 Cu 10.65960622 8.86888022 1.74721578 0.26713553 0.24094939 0.22884156 Cu 0.01499810 10.67513038 0.00042235 0.20745580 -0.23602472 0.21012620 Cu 1.74772944 12.43828383 0.02244880 0.33807960 -0.21945960 0.19987188 Cu 1.79710754 10.65970654 1.74478590 -0.20061983 0.13552982 0.16033305 Cu 0.00810936 12.41013127 1.74805569 0.19829543 -0.18838702 0.26405988 Cu 3.59006024 10.67366896 0.00553360 -0.22216014 0.11283651 -0.18681374 Cu 5.34181433 12.46457255 0.01049685 -0.09800461 -0.16552509 0.17286262 Cu 5.29850719 10.68702425 1.80800034 0.31789038 -0.07743225 -0.22847932 Cu 3.58346625 12.45638802 1.80561371 -0.23531446 0.19353468 -0.21962552 Cu 7.08060900 10.69968459 0.02323198 0.09355701 -0.24764482 -0.12066297 Cu 8.86449555 12.46609350 0.03069758 0.05153402 -0.25379688 0.25511928 Cu 8.88486853 10.63801936 1.80105314 0.05573498 0.45999219 -0.21752833 Cu 7.08113442 12.44915407 1.77007747 0.07259537 0.11220835 0.22743779 Cu 10.63649918 10.70661345 0.01489943 0.14452448 -0.11614795 -0.16454388 Cu 12.41181488 12.43492080 0.02272584 -0.33374842 -0.35505420 0.31500633 Cu 12.46684134 10.68619271 1.75127596 0.00018864 -0.20453568 0.09371140 Cu 10.68788459 12.42334707 1.76645980 -0.26794864 0.22400986 0.13943720 Cu 0.00940540 0.02364870 3.58575883 0.27316411 0.19300657 -0.08354328 Cu 1.80605875 1.79704607 3.56020260 -0.25938789 -0.38746601 -0.21391181 Cu 1.80326566 0.01268993 5.34181102 -0.29318581 -0.27848299 -0.25392117 Cu 0.01048608 1.81117581 5.31014753 -0.16381335 -0.18384052 0.22754193 Cu 3.55947581 0.01790154 3.52081518 -0.12578064 -0.40255374 0.16352404 Cu 5.31862689 1.74264139 3.53136421 0.06854111 0.17364687 0.27651644 Cu 5.30502727 0.00843034 5.35686217 0.08949995 -0.27037617 -0.18157836 Cu 3.53295644 1.77307149 5.33680031 0.33747652 0.13131860 -0.23634607 Cu 7.13090158 0.01153292 3.57460094 -0.19406888 -0.25046387 -0.11283190 Cu 8.88933896 1.80327637 3.52564327 0.19492456 -0.25881255 0.23535508 Cu 8.89948143 0.01852715 5.35241027 0.23137563 -0.27865607 -0.17827078 Cu 7.13312537 1.74545095 5.32076703 -0.25733871 0.29853626 0.05990569 Cu 10.69126792 0.00501289 3.58572706 -0.18407668 0.00058334 -0.23900272 Cu 12.45541745 1.76112983 3.53781608 0.04349520 0.09966724 -0.12163946 Cu 12.44662682 0.00042854 5.32723246 -0.15882551 0.22668268 0.12504790 Cu 10.71054818 1.78656682 5.36125947 -0.32624284 -0.25436552 -0.24916644 Cu 0.02414101 3.53548962 3.53730277 -0.29645510 0.16903466 -0.08726077 Cu 1.79725997 5.36588653 3.52336986 -0.14061983 -0.35806491 0.17505996 Cu 1.77426980 3.53995485 5.30088666 -0.09390804 0.20505616 0.35207248 Cu 0.00312480 5.33738347 5.32104357 -0.17922856 -0.16644311 -0.09145280 Cu 3.52290323 3.55692494 3.56791926 0.32242156 -0.02083851 -0.35055411 Cu 5.31588651 5.36265122 3.53544996 0.05389899 -0.14908954 0.07120457 Cu 5.35934157 3.56925326 5.29466701 -0.29901968 -0.29092292 0.19023546 Cu 3.52871157 5.30718002 5.32466460 0.24063585 0.11900145 0.02932681 Cu 7.12537820 3.54050859 3.57649545 -0.12530793 0.02460222 -0.20281834 Cu 8.89530513 5.30237680 3.55808258 -0.16772380 0.26914867 0.09655392 Cu 8.91135765 3.54284173 5.34444371 -0.10590560 -0.05825765 0.08150709 Cu 7.07838415 5.30755593 5.32582433 0.27255596 0.38602551 0.01104422 Cu 10.64336940 3.56392594 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10.70024884 8.92274174 0.49865458 -0.35362215 -0.30927998 Cu 10.69133856 12.41015490 8.90704244 -0.13742224 0.49961929 -0.11445306 Cu 0.01586548 0.01978920 10.65417815 0.18226244 0.20785117 -0.07702278 Cu 1.76482552 1.78107906 10.69799244 0.32551273 -0.06621967 -0.17521907 Cu 1.76483400 0.02007442 12.44491915 0.18271377 0.16510446 -0.26751278 Cu 0.01030605 1.75083223 12.43660353 0.18870178 0.20535424 -0.16074902 Cu 3.57548439 0.00342850 10.66766269 -0.20190723 -0.11695020 -0.12162182 Cu 5.31764758 1.80092504 10.63257999 0.07354665 -0.36880266 0.35187856 Cu 5.31776421 0.03228005 12.41609831 0.15639846 0.06309222 -0.10812445 Cu 3.58341247 1.75321301 12.44329376 -0.27689111 0.14667707 0.13864857 Cu 7.10022016 0.00008146 10.66434024 0.04406783 -0.08810164 0.00317911 Cu 8.85355178 1.79874228 10.68831931 0.31666844 -0.28888771 -0.09790258 Cu 8.90171666 0.00939769 12.47648511 0.00919365 0.25796673 -0.38232028 Cu 7.10701274 1.77368553 12.43011735 -0.10873899 -0.06258208 0.21114410 Cu 10.67046944 0.01656681 10.64874160 -0.11331642 -0.10157103 0.43054782 Cu 12.47676700 1.77285370 10.65271199 -0.04618880 0.20233806 0.25547505 Cu 12.44386608 0.02944965 12.42913116 -0.48103564 0.45158988 -0.49624243 Cu 10.67299672 1.76491911 12.46937729 0.05100307 0.13389702 -0.15194238 Cu 0.02894696 3.53103545 10.67591984 -0.27674255 0.14233329 0.00628747 Cu 1.75644322 5.37819479 10.68669908 0.25356075 -0.22440354 -0.27492226 Cu 1.80159868 3.56934016 12.41341933 -0.10265832 -0.18193475 0.35123083 Cu 0.02825229 5.33352408 12.42683909 0.05253017 0.03810235 -0.15076042 Cu 3.57244917 3.58135004 10.69639606 -0.41909574 -0.22072976 -0.33553701 Cu 5.30748770 5.31395098 10.64102948 0.42662214 0.02594298 0.31078960 Cu 5.31951026 3.52855527 12.44001044 0.23729410 0.10468101 0.27696415 Cu 3.57033651 5.30344879 12.44758043 -0.13732473 0.31023730 0.29173184 Cu 7.07712382 3.53786119 10.64409737 0.23968136 0.37048731 0.29374128 Cu 8.91123164 5.34269805 10.66732295 -0.12550929 -0.24360969 0.16368696 Cu 8.85278141 3.55185470 12.40834647 0.21443438 0.09624647 0.30137297 Cu 7.11171307 5.36098314 12.46604970 -0.06285059 -0.25585632 -0.06900795 Cu 10.67617438 3.55691175 10.65982159 0.13295929 -0.22894556 0.26747387 Cu 12.41012186 5.34563118 10.63592911 0.45208984 -0.29616764 0.31194472 Cu 12.46667489 3.55745632 12.45712682 -0.33341399 -0.06173448 -0.38201155 Cu 10.68639000 5.33639903 12.44574355 -0.07434829 -0.18043618 0.18537371 Cu 0.01070121 7.14107187 10.63353976 -0.24645449 -0.17010064 0.09399404 Cu 1.80758103 8.89754838 10.69156560 -0.19850565 -0.02511100 -0.13733445 Cu 1.74803327 7.13552020 12.45255963 0.26777226 -0.16352269 0.14451545 Cu 0.00314591 8.85777748 12.41225904 0.07663019 0.19562555 -0.10218670 Cu 3.58349032 7.09169120 10.67047202 -0.41144539 0.10742164 0.05113653 Cu 5.29752258 8.88524275 10.64250361 0.32739880 0.10702510 0.32311321 Cu 5.34985716 7.07588488 12.41237718 -0.05915040 0.25142884 0.21951051 Cu 3.53413281 8.89726016 12.44611702 0.26277496 -0.06623655 0.26035948 Cu 7.13158546 7.11254715 10.63276906 -0.14551846 0.09271038 0.38816698 Cu 8.89087145 8.90812203 10.63609125 0.15146238 -0.08859137 0.32866590 Cu 8.89332360 7.08997763 12.40887250 0.15198910 0.17216761 0.25345870 Cu 7.14373077 8.86222773 12.47648611 -0.20439552 0.08080642 -0.06833398 Cu 10.69654042 7.08249128 10.66655218 -0.23650148 0.39569962 0.14381425 Cu 12.41886635 8.85384386 10.62630429 0.18658969 0.22993732 0.25198545 Cu 12.44509741 7.09430322 12.45459474 -0.23260042 0.11065324 -0.26760606 Cu 10.65037596 8.91511796 12.42545656 0.09478577 -0.05943072 0.05184894 Cu 0.03000702 10.68487930 10.70053441 -0.20176239 -0.07141857 -0.10070690 Cu 1.75748723 12.41640279 10.64526026 0.11454535 0.28477265 0.27400364 Cu 1.76619307 10.65067596 12.46920542 -0.00308572 0.16693142 0.14802855 Cu 0.02560350 12.42947181 12.47409474 0.51649735 -0.44867633 -0.48916222 Cu 3.52999377 10.66954262 10.68978769 0.15269135 0.20874164 -0.02594210 Cu 5.33014355 12.44408769 10.67973938 -0.14956878 0.11367961 -0.18757567 Cu 5.35639073 10.70109149 12.41800231 -0.19032875 -0.30539720 0.20010617 Cu 3.52212027 12.47522554 12.42867828 -0.03603910 -0.31906591 -0.22736404 Cu 7.14070496 10.65222129 10.68044093 -0.29684911 -0.15557724 -0.15086818 Cu 8.85951861 12.41962465 10.66012601 0.25344313 0.19509322 -0.07305751 Cu 8.86950551 10.68248194 12.45146953 0.15884895 -0.13534027 0.12087226 Cu 7.09986115 12.42786761 12.41683278 0.08488464 0.00771391 -0.05436860 Cu 10.69741757 10.68987127 10.64845480 -0.40475334 -0.23892279 0.40812882 Cu 12.45632945 12.38388418 10.67069313 -0.14721940 0.14693947 0.09703726 Cu 12.45527416 10.68531208 12.42640797 -0.35211485 -0.23985939 -0.23999924 Cu 10.61893004 12.43356723 12.44018636 0.10009830 -0.27756067 -0.32513199