864 Lattice="22.08389969106427 0.0 0.0 0.0 22.08389969106427 0.0 0.0 0.0 22.08389969106427" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2353.042099323334 stress="-16.397990817860148 -2.9399949969537147 2.042891154531361 -2.9399949969537147 -15.433660014070256 -1.2797406874408352 2.042891154531361 -1.2797406874408352 -16.101757788494425" pbc="F F F" Cu 0.01456971 0.01098105 0.02572086 -0.49369356 -0.52889193 -0.45879762 Cu 1.81207079 1.82226368 0.02707701 0.64851388 0.75473350 -0.99355896 Cu 1.82955794 0.00790725 1.85872053 0.51164648 -1.05007941 0.49804826 Cu -0.03413962 1.81451395 1.86138160 -0.92428304 0.74531672 0.21965286 Cu 3.62946716 -0.00361934 0.00431722 0.19883548 -0.56602127 -0.45028223 Cu 5.49254075 1.81251712 0.00455332 0.01427217 0.72170186 -0.52166319 Cu 5.55102962 -0.00565925 1.82521148 -0.33284786 -0.64341443 0.89302575 Cu 3.65505863 1.84612123 1.85983999 0.48151658 0.56399075 0.38553027 Cu 7.33788910 0.00558011 0.02866998 0.19406523 -0.52985971 -0.77749841 Cu 9.18851718 1.85908869 0.02052589 0.25443933 0.42751774 -0.75026393 Cu 9.17913847 -0.01744199 1.83181669 0.25506775 -0.70694285 0.62751518 Cu 7.39465515 1.84191030 1.86650113 -0.51442303 0.78781117 0.57068313 Cu 11.04167252 -0.01837384 0.01407514 -0.20128506 -0.44559701 -0.60955607 Cu 12.86118067 1.84177191 -0.00012037 0.14383696 0.55266423 -0.69794936 Cu 12.86380665 -0.00310780 1.80406666 0.22750134 -0.74128620 0.70105433 Cu 11.04708579 1.85111158 1.84196633 -0.31280360 0.51383695 0.67167549 Cu 14.75823593 0.01152347 -0.01814438 -0.26456318 -0.60742161 -0.61931297 Cu 16.52955637 1.86809426 -0.01465232 0.22794345 0.32171745 -0.65310992 Cu 16.54458709 0.01042689 1.82873893 0.28123014 -0.77074881 0.63243882 Cu 14.72549855 1.81871755 1.82443862 -0.26783123 1.08682589 0.66711974 Cu 18.43980080 -0.02261433 0.01777240 -0.61179453 -0.36491944 -0.52393959 Cu 20.24978468 1.85242226 0.01032480 0.56865786 0.28396914 -0.55154342 Cu 20.27587484 -0.02094908 1.83909281 0.50904393 -0.41817543 0.47701863 Cu 18.38968455 1.84823823 1.87712247 -0.40948137 0.30415944 0.35870876 Cu 0.01374815 3.71286036 -0.00860333 -0.71357590 -0.22839572 -0.51973336 Cu 1.84010000 5.49212351 0.03290375 0.77751227 0.15526000 -0.86746049 Cu 1.81557862 3.62497548 1.83033899 0.80748006 0.56474686 0.71475913 Cu 0.02579592 5.55571260 1.80683738 -0.92849174 -0.42599179 0.93654590 Cu 3.70389514 3.70860534 0.03406132 -0.15738535 -0.29031679 -0.76414432 Cu 5.55124614 5.50763843 -0.02613008 -0.18127608 0.23621535 -0.52764593 Cu 5.50227572 3.71303883 1.84920269 0.23726810 -0.42699820 0.66934681 Cu 3.70464637 5.52349084 1.82498079 -0.28837638 0.18709135 0.97519718 Cu 7.33580841 3.65371043 0.00748905 0.03275665 0.11348932 -0.49438951 Cu 9.20068520 5.49535237 0.01831044 -0.29234753 0.19006934 -0.66946576 Cu 9.18392281 3.69111054 1.85952703 0.22628633 0.00124061 0.72663326 Cu 7.34122638 5.51381636 1.86807580 0.33933990 0.30775705 0.39531965 Cu 11.06669271 3.71263782 0.02448432 -0.25412197 -0.39106996 -0.78184458 Cu 12.85873191 5.51418359 0.00222043 0.41654978 0.37902088 -0.47258795 Cu 12.86734525 3.69065420 1.87181614 0.34511402 0.03931271 0.34715841 Cu 11.03920881 5.49109081 1.80936863 0.12500414 0.57485444 1.47388914 Cu 14.68843525 3.70332758 -0.01830999 -0.06153127 -0.10558322 -0.36106971 Cu 16.53177257 5.49691451 0.02753411 0.28416629 0.28933720 -0.70121622 Cu 16.56269737 3.68530052 1.83884462 -0.22509444 0.10479848 0.86200190 Cu 14.74279700 5.54365748 1.84237254 -0.22153250 0.08385973 0.79831536 Cu 18.37630172 3.64392686 -0.01471102 -0.32958689 0.31627382 -0.69535654 Cu 20.25106544 5.52644773 0.00409380 0.44339073 -0.13076537 -0.54411808 Cu 20.21569846 3.68362436 1.82829829 0.76104675 -0.08997049 0.63990473 Cu 18.40336919 5.50117178 1.84554785 -0.74510880 0.26498648 0.56145755 Cu 0.00026612 7.32801291 -0.00953235 -0.51785458 0.28805891 -0.69039420 Cu 1.84494085 9.20397010 -0.02235328 0.45472846 0.10435508 -0.42628640 Cu 1.80565889 7.35484218 1.84236207 1.41340040 0.18419219 0.72509272 Cu 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16.60552014 9.17647641 -0.01235162 -0.32787472 0.25532603 -0.43613975 Cu 16.58878168 7.39004551 1.84570647 -0.20528598 -0.18516583 0.69924778 Cu 14.71357521 9.18336043 1.87195730 0.47044521 0.20877349 0.35072239 Cu 18.43184449 7.36894763 -0.03670303 -0.78060924 -0.31806693 -0.49305539 Cu 20.24668111 9.16847764 0.00445889 0.68762159 0.29213093 -0.63433458 Cu 20.25831403 7.38238147 1.81730289 0.54203140 -0.26693471 0.82142882 Cu 18.42357947 9.22524773 1.84161000 -0.91228030 -0.17738650 0.74303982 Cu 0.03545264 11.07082041 0.02075752 -0.63882042 -0.26264508 -0.54892955 Cu 1.82695631 12.90710615 0.00330885 0.65240097 -0.22958768 -0.69376852 Cu 1.83330348 11.02743906 1.87090318 0.98811708 0.13963452 0.28873750 Cu -0.00409533 12.88156458 1.83673820 -0.74816867 0.15612540 0.73542715 Cu 3.71432611 11.07301964 -0.02072257 -0.32203851 -0.30278783 -0.42629925 Cu 5.49218069 12.87542301 0.01346073 0.31269860 -0.11270221 -0.58131542 Cu 5.51044954 11.00612955 1.86117693 0.15777489 0.74405353 0.46935793 Cu 3.65941971 12.88827102 1.82875845 0.03260004 -0.40851760 0.77049486 Cu 7.39812784 11.01266645 -0.03283568 -0.10316134 0.47856424 -0.40182440 Cu 9.23104174 12.93758423 0.01534553 -0.20493459 -0.38806605 -0.51186901 Cu 9.22671118 11.03698782 1.81748321 -0.21483268 -0.00888986 0.65656458 Cu 7.33004202 12.89654254 1.84318090 0.02716129 -0.28025013 0.50260752 Cu 11.07638409 11.03679763 0.01980078 -0.21424290 -0.01598442 -0.85488893 Cu 12.91075100 12.86295801 0.00390242 -0.19018273 0.16374248 -0.86281915 Cu 12.90931636 11.04248203 1.83155341 -0.10998383 -0.27085014 0.73329351 Cu 11.09122994 12.85591217 1.81036805 -0.42356528 0.52573201 1.01521032 Cu 14.74485672 11.03302154 0.00884845 -0.05736738 -0.42704201 -0.60420257 Cu 16.53545344 12.84754991 0.00025929 0.42028599 0.22754281 -0.59228179 Cu 16.59062718 11.06336472 1.83726825 -0.53093490 -0.44421297 0.99788440 Cu 14.69068565 12.86980523 1.81137916 0.41237173 0.35102324 1.24726391 Cu 18.41319719 11.00509014 0.02185769 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