500 Lattice="17.855709214854013 0.0 0.0 0.0 17.855709214854013 0.0 0.0 0.0 17.855709214854013" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1609.5765879460437 stress="-0.004439361418369314 1.0134335320358741e-05 -0.00015434944529184517 1.0134335320358741e-05 -0.004241674476018991 3.3476804357620816e-05 -0.00015434944529184517 3.3476804357620816e-05 -0.004358769696756168" free_energy=-1609.5765879460437 pbc="F F F" Cu 0.03284752 0.01187105 0.02034826 0.46322369 0.54425470 0.46181528 Cu 1.79784530 1.81605656 0.01004029 -0.15503530 -0.18930442 -0.17027044 Cu 1.75071110 0.01462235 1.75803855 0.17638495 -0.08122253 0.12270105 Cu 0.02348184 1.80222003 1.78020991 -0.14489933 -0.04395855 -0.09867922 Cu 3.58144203 0.00319095 0.03331110 -0.08000973 0.30265930 0.20122368 Cu 5.36868796 1.80092266 0.00633833 -0.16649651 -0.22180050 -0.24335154 Cu 5.32690705 0.01969305 1.80402622 0.22594210 -0.23785084 -0.11955865 Cu 3.55871590 1.76366469 1.77174831 -0.12904421 0.15529833 0.13298424 Cu 7.14231433 0.02915380 0.02336520 -0.08381100 0.17457330 0.23532117 Cu 8.88513820 1.79718329 0.00011761 0.23893819 -0.21301162 -0.14353191 Cu 8.93672949 0.03453832 1.77577988 -0.03054660 -0.18458093 0.02463448 Cu 7.11876262 1.75857326 1.78464416 0.20733080 0.09744790 0.28104985 Cu 10.72370544 0.03439992 0.01096216 -0.06442737 0.33032700 0.33627348 Cu 12.52637881 1.73954233 0.03095667 -0.09251926 0.17069032 -0.21903974 Cu 12.50946466 0.00721026 1.79696198 -0.11035769 -0.22126208 -0.07461895 Cu 10.68479204 1.81082549 1.80641574 0.16646696 -0.37829405 -0.25280049 Cu 14.29741675 0.00194845 0.00935638 0.06529002 0.42153274 0.44359860 Cu 16.07838127 1.79753648 0.00695230 -0.48052328 -0.08153897 0.44668480 Cu 16.08034327 0.00583577 1.75013458 -0.54402063 0.52263132 0.10793454 Cu 14.25436352 1.79409627 1.80143894 0.59026088 -0.25292299 -0.13365328 Cu 0.02275339 3.60978435 0.01929561 0.17307128 -0.14851803 0.19956684 Cu 1.79806842 5.32438066 0.02403400 -0.08565767 0.44290029 -0.23994553 Cu 1.78275600 3.60650096 1.76146871 0.11399034 -0.39132801 0.20659326 Cu 0.02868048 5.32913447 1.82037036 -0.28386023 0.31307889 -0.25239354 Cu 3.55230101 3.58416550 0.00326242 0.15837560 -0.06832920 -0.19978011 Cu 5.38520065 5.34091867 0.00880707 -0.08997828 0.02418476 -0.07655333 Cu 5.33899224 3.53948263 1.75256708 0.03004959 0.11627096 0.33184868 Cu 3.57691436 5.35407464 1.81438350 0.08906754 0.13514193 -0.23437332 Cu 7.15922922 3.52711254 0.03099643 -0.07691003 0.27197552 -0.24971526 Cu 8.89779029 5.38179941 0.01109623 0.18576027 -0.18175603 -0.20281084 Cu 8.96019250 3.59816180 1.75531897 -0.35613688 -0.18385254 0.40035952 Cu 7.16014864 5.34032517 1.81690406 -0.23256434 -0.16371865 -0.23512115 Cu 10.69462386 3.53621517 0.02072881 0.22528495 0.11705739 -0.26261060 Cu 12.53280721 5.33007851 0.03230051 -0.21542108 -0.05389697 -0.23091233 Cu 12.50677691 3.51329883 1.81975173 -0.05838009 0.24242239 -0.35401948 Cu 10.73448740 5.33114939 1.81365174 -0.19738454 0.15570414 -0.26516623 Cu 14.31176743 3.56557780 0.00085395 -0.12404101 -0.13536398 -0.11173427 Cu 16.03707668 5.33850712 0.02272308 -0.18365730 0.00738231 0.27930413 Cu 16.04558584 3.56451812 1.77399144 0.14735014 -0.07936635 0.07810600 Cu 14.25131648 5.32510081 1.81403657 0.34763034 0.10387498 -0.08740362 Cu 0.01422940 7.17505300 0.02942828 0.35595386 -0.18825954 0.38843027 Cu 1.77298280 8.92201081 0.03177495 -0.05951657 -0.05012939 -0.24302081 Cu 1.81825924 7.13005326 1.80444080 -0.25706806 -0.06642515 -0.17131076 Cu 0.03007535 8.92564600 1.81698381 -0.22219712 -0.06992225 -0.14152119 Cu 3.58767699 7.17418069 0.00784082 -0.03986965 -0.20647745 -0.15776285 Cu 5.38813833 8.95939655 0.01586192 -0.18434698 -0.16571881 -0.40429142 Cu 5.37788779 7.17111177 1.75416595 -0.16922926 -0.31709558 0.11415885 Cu 3.56895278 8.94104740 1.76634010 0.01092365 -0.20178390 0.15682773 Cu 7.15181417 7.12905170 0.02813767 -0.05008049 0.15439320 -0.32014415 Cu 8.95332206 8.94996445 0.00078579 -0.18151623 -0.12964281 -0.08793122 Cu 8.89340529 7.14443284 1.77798340 0.34135558 0.10725131 0.08177128 Cu 7.11448996 8.95082939 1.77146854 0.38786588 -0.09624153 0.15153280 Cu 10.67793401 7.15637398 0.02870842 0.15498055 -0.16735228 -0.14127877 Cu 12.46980726 8.93001676 0.02738865 0.16475138 -0.14829460 -0.30307319 Cu 12.50021357 7.11109020 1.75915280 0.02276486 0.22863372 0.20672134 Cu 10.72196720 8.93860403 1.81264808 -0.10430013 -0.18201337 -0.11827916 Cu 14.31948326 7.11027918 0.03770824 -0.00021497 0.23031637 -0.13735563 Cu 16.09475400 8.95100775 0.00057490 -0.41661791 -0.11813484 0.44908923 Cu 16.08450307 7.10865008 1.80479079 -0.06922662 0.15389953 -0.08442054 Cu 14.25919858 8.95787153 1.76391859 0.30206738 -0.36806007 0.19319028 Cu 0.02803243 10.69687045 0.00705146 0.28680343 0.00327803 0.38782501 Cu 1.78735758 12.47851511 0.02871849 -0.23742852 0.13481753 -0.23313512 Cu 1.81272060 10.69000243 1.80046173 -0.35459770 0.18725943 0.02114641 Cu 0.00842630 12.49725869 1.79145855 -0.09827949 0.01301337 -0.10698551 Cu 3.54688162 10.68437105 0.02684382 0.10197702 0.15438711 -0.44838621 Cu 5.37899728 12.51977883 0.01191718 -0.10461168 -0.20329395 -0.19896780 Cu 5.32608872 10.70839707 1.76792905 0.14634221 0.25854771 0.19157313 Cu 3.54211363 12.48332315 1.75778258 0.22273497 0.12334921 0.34833200 Cu 7.14220349 10.68866010 0.03226756 0.06878482 0.30643234 -0.32759534 Cu 8.93004787 12.51438766 0.01900391 0.10388120 -0.10900838 -0.34363840 Cu 8.92681791 10.74631485 1.76551674 -0.04441592 -0.16552571 0.20898023 Cu 7.16310190 12.52235023 1.78123394 -0.20995044 -0.18359310 0.18790797 Cu 10.70449355 10.68589420 0.01526093 0.09054735 0.25744057 -0.29767503 Cu 12.54404635 12.52968049 0.02503892 -0.14852897 -0.08710736 -0.26142036 Cu 12.47646078 10.71318069 1.76553807 0.19446923 0.01640528 0.24825264 Cu 10.73496032 12.46878579 1.78655828 -0.20836719 0.17803963 0.02776857 Cu 14.29620910 10.70366276 0.03273345 -0.04187686 0.06867538 -0.36265504 Cu 16.08023061 12.47050770 0.01443030 -0.40531423 0.20731219 0.34352077 Cu 16.04031975 10.73694180 1.76235590 0.33821803 -0.17820117 0.14232162 Cu 14.28673170 12.48514174 1.81024031 0.14005878 0.11272384 -0.19453630 Cu 0.01706490 14.34193564 0.00827775 0.47855171 -0.15027376 0.47547120 Cu 1.76066155 16.10521153 0.02220185 0.17197789 -0.55925795 0.50228918 Cu 1.77197186 14.25755752 1.81818264 0.03948687 0.33758277 -0.44711239 Cu 0.03415459 16.06802308 1.80405149 0.32681673 -0.35966525 -0.02974109 Cu 3.57708822 14.26124893 0.01756471 -0.26397774 0.25901059 -0.13178439 Cu 5.31875835 16.05064042 0.00349564 0.11404214 -0.33254085 0.31303676 Cu 5.35142879 14.28336417 1.76398044 -0.02597643 0.06535909 0.18067086 Cu 3.57268893 16.07136931 1.79707169 -0.06778780 0.06739147 -0.16707113 Cu 7.16091884 14.25761881 0.02024612 -0.03804968 0.40473927 -0.23498231 Cu 8.95803676 16.07346875 0.02988490 -0.13169666 -0.32065423 0.36640675 Cu 8.94709831 14.26367491 1.77234096 -0.08485644 0.29849466 0.19713873 Cu 7.11799709 16.04640244 1.80214917 0.10803834 0.12035829 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16.06093191 -0.13060189 0.09422541 0.09058015 Cu 10.68059773 0.02857838 14.30291353 0.39544850 -0.21769033 -0.10092617 Cu 12.50175068 1.79816300 14.29413404 -0.20627943 -0.17364975 0.06602185 Cu 12.53776917 0.00903000 16.06589813 -0.13430714 0.38063922 -0.29449711 Cu 10.68762219 1.77738107 16.10490191 0.26943336 -0.01125518 0.05958949 Cu 14.24304503 0.02012471 14.28760744 0.21771502 -0.12356316 0.01968689 Cu 16.05277194 1.75333012 14.24910444 0.09148534 0.18742531 0.32451524 Cu 16.03840397 0.00011124 16.03650167 -0.59005865 0.57006905 -0.56144588 Cu 14.28292066 1.82074711 16.04262296 0.16996731 -0.17418139 0.22349610 Cu 0.01485195 3.60558595 14.30058611 -0.25596281 -0.18038945 0.10027772 Cu 1.76205352 5.37313561 14.26974608 0.21418025 0.01381568 0.18633769 Cu 1.76436668 3.60556241 16.07287708 0.06582668 -0.26684446 0.07560101 Cu 0.02022472 5.33263331 16.09366644 0.27259442 0.17286252 -0.28173461 Cu 3.57208279 3.55174570 14.25853133 -0.10942798 -0.00568455 0.33248524 Cu 5.32640358 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14.26187705 5.36128777 16.07516193 0.28380313 -0.17984000 -0.04405900 Cu 0.01798810 7.11567060 14.31368273 -0.08537965 0.23577038 0.08196242 Cu 1.78380769 8.96294857 14.28555590 0.10582706 -0.31915394 0.20553616 Cu 1.80097085 7.16083892 16.10462204 -0.13174110 -0.06494861 -0.10401018 Cu 0.00050094 8.94765519 16.04016246 0.31770672 -0.06812725 -0.26525893 Cu 3.57638637 7.12503781 14.24933006 -0.16964912 0.21871477 0.41038411 Cu 5.32569343 8.95941232 14.25993452 0.31954400 -0.36750030 0.26079199 Cu 5.37856531 7.17446860 16.09432989 -0.14076202 -0.14823622 0.03196344 Cu 3.57843003 8.90695508 16.09555891 -0.10961327 0.05849247 -0.04748483 Cu 7.11974342 7.13139024 14.31987172 0.09567609 0.21314025 -0.24747920 Cu 8.94387801 8.95926747 14.30444214 -0.16896179 -0.28209842 -0.31060264 Cu 8.89490044 7.14490863 16.07366554 0.16383418 -0.04860343 0.02192194 Cu 7.14790073 8.95659747 16.09860771 -0.05124405 -0.04992638 -0.02185412 Cu 10.73149545 7.11235802 14.24981993 -0.24204223 0.23036088 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0.09371571 0.11480567 0.23509959 Cu 3.57244373 12.47841308 16.03923806 -0.10035856 0.19729065 0.32780850 Cu 7.11310250 10.73231860 14.28706227 0.18230825 -0.28431815 -0.10643340 Cu 8.95271674 12.48421950 14.23966863 -0.05242729 0.12839002 0.25866200 Cu 8.92415129 10.71456720 16.04032869 0.08255754 0.06888252 0.23330045 Cu 7.16361214 12.46666307 16.03677351 -0.14518597 0.15721082 0.22517340 Cu 10.73406113 10.72474064 14.25831548 0.11659248 -0.15588466 0.05365582 Cu 12.52774656 12.46603594 14.31926255 -0.08569939 0.14106477 -0.33616317 Cu 12.50423347 10.74299749 16.08956970 0.13752896 -0.23839055 0.06900709 Cu 10.71701991 12.46860454 16.07926704 -0.15494432 0.17257745 0.06373170 Cu 14.30797906 10.72143568 14.27330079 -0.08030084 -0.01280952 0.29131670 Cu 16.09492021 12.47250232 14.26824135 -0.05080298 0.26566943 0.20299058 Cu 16.06117378 10.71335280 16.07211040 -0.31838391 0.05534884 -0.33988997 Cu 14.29065755 12.53097320 16.07809631 0.14662516 -0.09653313 0.05224353 Cu 0.02587530 14.29384711 14.28292923 -0.17066099 0.09274079 0.06838003 Cu 1.77779195 16.05055749 14.27427203 -0.19107399 0.25189822 0.28114961 Cu 1.76499600 14.28188575 16.04667407 0.04325535 0.19453981 0.20471383 Cu 0.00494535 16.09960541 16.07609587 0.61876297 -0.65590803 -0.62614897 Cu 3.55536593 14.33532208 14.30294446 0.19040472 -0.24668044 0.04320947 Cu 5.34821405 16.05981217 14.26429937 0.18821689 0.14080050 0.23618366 Cu 5.36266422 14.28383517 16.07521879 0.04828068 0.10361285 0.02724234 Cu 3.59336359 16.08819540 16.10146734 -0.10465598 -0.42384357 -0.46138280 Cu 7.12683092 14.26202006 14.25087625 0.14444413 0.23169576 0.19048566 Cu 8.93954249 16.10326241 14.24976394 -0.10999774 -0.19545705 0.26033369 Cu 8.89308908 14.26524732 16.07189244 0.23940044 0.12554373 -0.16351583 Cu 7.17704858 16.05666742 16.03659039 -0.11165094 -0.33052781 -0.37777228 Cu 10.72414207 14.26041295 14.25154373 -0.15094434 0.05231536 0.30080162 Cu 12.49443317 16.10257824 14.25436369 0.13203189 -0.09959818 0.21294216 Cu 12.46342731 14.26612690 16.03594403 0.21357726 0.22242844 0.14107490 Cu 10.74060348 16.03966072 16.06124092 -0.16626980 -0.34662377 -0.43567551 Cu 14.26854709 14.28986781 14.26635939 0.18509145 0.17756327 0.27360999 Cu 16.10405224 16.07036443 14.27345159 -0.60360790 -0.50283877 0.13325523 Cu 16.05194304 14.25348864 16.09351979 -0.39566558 0.11420884 -0.60706763 Cu 14.30756404 16.04546754 16.08704439 -0.06730321 -0.53331563 -0.60655323