4000 Lattice="36.8462180592582 0.0 0.0 0.0 36.8462180592582 0.0 0.0 0.0 36.8462180592582" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11383.572388639506 stress="-62.01720208578871 3.0464073711946327 -1.7184148783341584 3.0464073711946327 -64.45238145894109 -2.552629658981914 -1.7184148783341584 -2.552629658981914 -61.69605341111952" pbc="F F F" Cu 0.03027519 -0.02931039 0.01977932 -0.35125343 -0.37744984 -0.41141857 Cu 1.87889797 1.81360241 -0.02126976 0.01024307 0.75417904 -0.73504592 Cu 1.86861546 -0.01629065 1.84610790 0.33906708 -0.78817767 0.57209618 Cu -0.02787898 1.80649498 1.83990103 -0.64138407 0.67255765 0.31477546 Cu 3.65649135 0.02644660 -0.02484807 0.30767431 -0.81213356 -0.63300009 Cu 5.55740118 1.81500793 0.00512449 -0.15272949 0.89227102 -0.81508560 Cu 5.53030321 0.01033968 1.80891557 -0.31413293 -0.93851717 0.80440265 Cu 3.67393185 1.84361332 1.80876570 0.33148858 0.65301339 0.96722772 Cu 7.35895878 0.01078331 0.01858521 0.22908865 -0.80106073 -0.68940592 Cu 9.17627687 1.84439175 -0.03256228 0.12363080 0.68759486 -0.46319758 Cu 9.21178079 0.00033691 1.85618489 -0.15559740 -0.78852492 0.36842768 Cu 7.34712390 1.82548444 1.85549468 0.29116812 1.01746914 0.36330556 Cu 11.01196813 -0.00770729 0.00804566 0.17152285 -0.49007136 -0.61188681 Cu 12.91196384 1.84193971 0.03002348 -0.35032432 0.31545805 -0.89165579 Cu 12.86725035 -0.01592774 1.86297889 0.31930759 -0.57500937 0.39242634 Cu 11.02650482 1.83269610 1.82725953 0.05322856 0.80597604 0.63600798 Cu 14.71925536 -0.01460956 -0.01208478 0.20472111 -0.40480536 -0.31363890 Cu 16.60964011 1.85898948 -0.01817757 -0.22686796 0.10571091 -0.63067479 Cu 16.57944084 -0.00381967 1.88519866 -0.36080288 -0.57637659 -0.08177026 Cu 14.71049238 1.88051205 1.82072490 0.31330122 -0.08525183 0.97539186 Cu 18.39573362 -0.01610693 -0.00788333 -0.07203995 -0.49570466 -0.57934670 Cu 20.24860795 1.85206548 0.02436313 0.10313902 0.27612427 -0.78785797 Cu 20.21215352 -0.03242867 1.80588219 0.30038009 -0.62933915 0.67357127 Cu 18.38801865 1.82188310 1.86566372 0.14117631 1.01190909 0.37587794 Cu 22.14791647 0.00323303 0.01086133 -0.28702276 -0.46161931 -0.54329680 Cu 23.96223221 1.83649866 -0.00388110 -0.36689116 0.60388311 -0.67869318 Cu 23.95055198 -0.03299682 1.83076953 0.19717581 -0.58940620 0.67024451 Cu 22.08484511 1.85151575 1.86175362 0.32306830 0.32938773 0.26720474 Cu 25.75971216 0.03410744 -0.03533841 0.23612147 -0.74528209 -0.44769251 Cu 27.60310597 1.84572616 -0.02762081 0.31809036 0.29103899 -0.51939667 Cu 27.64536853 -0.00371164 1.86941778 -0.20261123 -0.55152900 0.17540295 Cu 25.77351162 1.86048670 1.81534362 0.37310807 0.36264319 1.00155381 Cu 29.51081150 -0.03335458 -0.00247251 -0.17907330 -0.30123789 -0.43617948 Cu 31.32601574 1.86009302 -0.02709022 -0.19896145 0.29240216 -0.51204159 Cu 31.28677267 -0.00949185 1.88151390 0.23885064 -0.44070024 -0.01829463 Cu 29.44567513 1.85342865 1.84856747 0.12900210 0.43909021 0.34831738 Cu 33.18365137 0.02031419 0.02220236 -0.68596144 -0.75633291 -0.64340721 Cu 35.02289689 1.80705917 0.02376065 0.67608602 0.61636421 -0.75965072 Cu 34.98274368 -0.00767778 1.86021985 0.79133905 -0.69268449 0.46585980 Cu 33.17746771 1.86069979 1.82797991 -0.90405019 0.56734438 0.78984648 Cu 0.00134735 3.63394989 -0.01907685 -0.36281835 0.23971233 -0.31574397 Cu 1.82986376 5.55590594 -0.02580063 0.41565082 -0.38534202 -0.55576710 Cu 1.84677497 3.66820323 1.85608485 0.40159422 0.25229556 0.19852529 Cu -0.01108245 5.56371310 1.86198172 -0.63732683 -0.37064917 0.16929023 Cu 3.71837924 3.67580584 -0.01488628 -0.11594064 0.12337841 -0.50087544 Cu 5.51834951 5.52436239 0.01236478 -0.03928238 0.17642150 -0.75818814 Cu 5.55542552 3.70045692 1.86587341 -0.31363657 -0.27269443 0.32875244 Cu 3.65851970 5.53438003 1.82925344 0.23013783 -0.23640326 0.58346950 Cu 7.36958399 3.71671564 -0.02938488 -0.14883231 -0.35998557 -0.53972133 Cu 9.18571378 5.51588711 -0.01234600 0.33186226 0.15282398 -0.56308122 Cu 9.19980993 3.73184398 1.84320548 -0.02816023 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0.78345244 0.18736988 0.72327681 Cu 33.15329230 5.54063992 1.85431208 -0.63377844 -0.18906348 0.73633026 Cu 0.03198031 7.41595348 0.03456518 -0.80659316 -0.33784633 -0.86873169 Cu 1.84841651 9.19270728 -0.01307934 0.62649958 0.33842206 -0.75858090 Cu 1.85532008 7.36381245 1.85331036 0.50885909 0.13650883 0.54837028 Cu 0.03023434 9.18555059 1.80657333 -0.88006806 0.22424842 1.02496056 Cu 3.67115119 7.37855541 -0.01868117 0.32642380 0.13276122 -0.48057405 Cu 5.55274504 9.25099121 0.01156821 -0.39584955 -0.47801369 -0.63576533 Cu 5.50376633 7.33994157 1.85609842 0.19741591 0.60996052 0.47963199 Cu 3.65742177 9.24212886 1.85903739 0.48765774 -0.27696518 0.19556534 Cu 7.38687222 7.39186407 0.01324990 -0.29599404 -0.15678495 -0.58050423 Cu 9.19380216 9.22247991 -0.03385238 0.15734473 0.22250679 -0.46440471 Cu 9.21905500 7.37226328 1.82115189 -0.19582634 -0.06552600 1.02873150 Cu 7.35456321 9.24462757 1.83156562 0.35585874 -0.48779802 1.15042573 Cu 11.02074473 7.38637795 0.02954799 0.11443393 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0.56773258 0.30470498 0.53221860 Cu 22.08503819 9.17987144 1.87390567 0.21131850 0.34791900 0.32936177 Cu 25.80051876 7.40535968 0.01092345 -0.32786791 -0.15967909 -0.64843176 Cu 27.61955317 9.22948425 -0.03247244 0.31430889 0.05764790 -0.38301054 Cu 27.60869340 7.37447164 1.85196014 0.16581204 0.39523961 0.66313739 Cu 25.78088886 9.23993379 1.82599497 0.15219485 -0.16134951 1.01720672 Cu 29.49894886 7.37228836 0.00951953 -0.22691386 0.14428713 -0.44146042 Cu 31.28904969 9.22754992 -0.01264614 0.14039565 -0.01214319 -0.63617815 Cu 31.35209323 7.40307589 1.81741768 -0.56198152 -0.22859707 1.16570923 Cu 29.47160208 9.24621948 1.83829308 -0.14395239 -0.22700861 0.43436349 Cu 33.15577249 7.34025464 0.02400310 -0.34594852 0.25312201 -0.87381106 Cu 34.96790024 9.18065096 -0.02738863 0.56859619 0.11871460 -0.41633591 Cu 35.01066924 7.39055543 1.84836464 0.59333849 -0.05564536 0.57527814 Cu 33.14005267 9.22684303 1.87383897 -0.34027838 -0.31467899 0.32220397 Cu -0.02087418 11.04629025 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11.03227678 1.82888510 0.29890081 0.43106059 0.83860747 Cu 11.05639259 12.93095929 1.87083819 0.30598586 -0.18978358 0.31078478 Cu 14.71501302 11.01939864 0.00410352 0.20654782 0.37427876 -0.66606221 Cu 16.63803914 12.86646259 -0.02274541 -0.31929997 0.02336142 -0.52942364 Cu 16.56784485 11.03557887 1.85736696 0.35832563 0.19096586 0.57585975 Cu 14.76131018 12.92259356 1.82484209 -0.33861154 -0.46277306 0.65364801 Cu 18.42343723 11.02697415 -0.02805629 0.15558968 0.07367254 -0.45072907 Cu 20.27623283 12.88290481 0.03542204 -0.07272066 0.18280836 -0.78907229 Cu 20.31724689 11.05896678 1.86833531 -0.43642373 -0.25238905 0.22328532 Cu 18.44831302 12.87537167 1.82304793 -0.15290724 0.04565108 0.99802513 Cu 22.14300504 11.08867664 0.00438937 -0.37262299 -0.42429928 -0.69785127 Cu 23.98523838 12.87179285 -0.01264339 -0.27017301 0.39703575 -0.57298999 Cu 23.90041644 11.03856120 1.86011239 0.34316467 -0.13044208 0.57120651 Cu 22.11219721 12.88019108 1.83840069 0.11698300 0.46900700 0.71017655 Cu 25.76775618 11.04494709 -0.03548552 0.31435578 0.16875935 -0.38432081 Cu 27.69195458 12.89366549 -0.01426249 -0.34176534 0.17626346 -0.51432448 Cu 27.65861775 11.10395447 1.84234080 -0.43549679 -0.40166941 0.47522074 Cu 25.75799247 12.90519731 1.81144589 0.22643452 -0.10152919 0.66829365 Cu 29.48272982 11.10306020 0.00328202 0.11246724 -0.28398363 -0.62889168 Cu 31.33234214 12.91285119 0.00853754 -0.27804845 -0.04786324 -0.61173963 Cu 31.33708810 11.06266598 1.83439295 -0.23794399 -0.07212546 0.60173365 Cu 29.51299562 12.87070152 1.91046147 -0.11289818 0.53263325 -0.12720077 Cu 33.15959645 11.01841116 0.00785228 -0.43975133 0.22016004 -0.79152982 Cu 34.98294391 12.92210642 0.00778296 0.65327019 -0.23071908 -0.64041858 Cu 34.98936985 11.06964554 1.85715566 0.78766298 -0.10519999 0.28324277 Cu 33.14342454 12.90490776 1.81724241 -0.45764702 -0.03062150 1.15634939 Cu 0.00004550 14.71830373 -0.01358449 -0.73784136 0.12291731 -0.48589069 Cu 1.83870174 16.54531631 0.02582263 0.56668985 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0.31233839 0.17724032 0.74670112 Cu 14.77901054 14.73125519 -0.00504213 -0.21217650 0.04355327 -0.56994677 Cu 16.60235851 16.55277745 -0.02427775 -0.44209277 0.16548083 -0.40410631 Cu 16.59837656 14.69950720 1.86359659 0.04353106 0.42934283 0.47964003 Cu 14.69014474 16.61085566 1.85979901 0.54053951 -0.16722243 0.50655457 Cu 18.42469832 14.76986756 -0.00205927 0.20567321 -0.34039171 -0.58827852 Cu 20.28899571 16.57621169 -0.00915974 -0.25125513 0.10720184 -0.54279557 Cu 20.30182225 14.76939111 1.83945048 -0.27325013 -0.27503617 0.83180086 Cu 18.42860020 16.56037257 1.83197485 0.19801935 0.05680019 0.87000144 Cu 22.12156437 14.76766829 0.02279245 -0.06484991 -0.39964632 -0.74131283 Cu 23.93035693 16.56002807 0.01212393 0.17769567 0.16963815 -0.70427590 Cu 23.92088104 14.76822620 1.83465746 0.21308811 -0.26864149 0.68648045 Cu 22.10697620 16.61253904 1.87201258 -0.14265529 -0.13979394 0.48347414 Cu 25.80669481 14.75141940 0.00447432 -0.15851493 -0.19493804 -0.73518815 Cu 27.62494198 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33.16339637 33.13970420 -0.97071084 -0.65851201 -0.45998663 Cu 34.99697146 34.97444785 33.14784201 0.72166006 0.71461652 -0.34479937 Cu 34.99277600 33.17050535 35.02572701 0.67407850 -0.11993521 0.69236700 Cu 33.14164054 35.03640056 34.97417189 -0.21729208 0.58462831 0.67013703