864 Lattice="20.99999998435304 0.0 0.0 0.0 20.99999998435304 0.0 0.0 0.0 20.99999998435304" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2890.1308010260323 pbc="F F F" Cu -0.03347782 0.01490139 0.00399927 29 0.51599608 0.47723218 0.66699689 Cu 1.72462069 1.78079068 0.00572659 29 -0.22487554 -0.42387944 -0.25317784 Cu 1.75923284 0.02417819 1.73307133 29 -0.29732930 -0.39749807 -0.30259749 Cu -0.01990277 1.72942359 1.76276061 29 -0.17219728 -0.23962541 -0.43645804 Cu 3.50732813 0.00564999 -0.01441510 29 -0.08623559 0.31518247 0.20243138 Cu 5.20933962 1.74271464 -0.01359938 29 0.04900089 -0.11123257 -0.15876212 Cu 5.25339339 0.00063638 1.75835416 29 -0.23036208 -0.32656352 -0.21225718 Cu 3.46016710 1.77782412 1.74596408 29 0.20613661 -0.43337690 -0.13608765 Cu 7.04480178 0.01493966 0.03635844 29 -0.14337594 -0.10248526 -0.06626743 Cu 8.72439140 1.70289604 -0.01915724 29 0.34807547 0.21713244 -0.32829522 Cu 8.73171220 0.01714126 1.77731573 29 0.12650644 -0.41254801 -0.07319650 Cu 7.01369444 1.72231511 1.69844008 29 -0.23441455 0.20197935 0.12835436 Cu 10.45695488 0.00617165 0.01776838 29 0.02585965 0.10061071 0.30143553 Cu 12.27997183 1.73326213 0.00645920 29 -0.11365303 -0.18660138 -0.28464932 Cu 12.28491001 0.01627367 1.76647056 29 -0.12560803 -0.35374744 -0.24833888 Cu 10.52150401 1.77267753 1.74326897 29 -0.12839711 -0.49868375 -0.40269563 Cu 14.00406898 -0.01875738 0.02827211 29 0.06868548 0.17476935 0.22971870 Cu 15.78391456 1.73850322 -0.01390990 29 -0.20844152 -0.24190856 -0.17455234 Cu 15.71919064 -0.01730376 1.78448474 29 0.10273423 -0.17661139 -0.32061105 Cu 13.99739512 1.77294673 1.76333365 29 0.03460824 -0.30570880 -0.49285213 Cu 17.53407088 0.01703567 -0.00766155 29 0.08740966 0.19835066 0.24687786 Cu 19.25046361 1.72618667 0.03440861 29 -0.22294913 -0.13908705 0.27509956 Cu 19.24707319 -0.02924599 1.78141247 29 -0.19369453 0.27077455 -0.09444497 Cu 17.49032456 1.73183872 1.71060457 29 0.28783202 -0.26625740 0.14219953 Cu 0.01949957 3.52088404 -0.00686271 29 0.11892515 0.12573379 0.24956186 Cu 1.77398001 5.24840454 0.03469137 29 -0.19640663 0.17158050 -0.55463606 Cu 1.73622201 3.53123321 1.74752663 29 -0.22321427 -0.25899321 -0.36570778 Cu 0.02682796 5.25597906 1.75272759 29 -0.57551886 0.35611071 -0.40785815 Cu 3.47591563 3.47053868 0.01077020 29 0.03262678 0.12090387 -0.34464377 Cu 5.27125788 5.21431640 0.02179511 29 -0.28452457 0.12691045 -0.38533257 Cu 5.28081416 3.50669868 1.74566585 29 -0.19243163 -0.13197865 -0.07377492 Cu 3.46571574 5.25652222 1.78188836 29 0.42386227 -0.06338383 -0.35826870 Cu 6.99307445 3.49641962 -0.02828061 29 0.13518724 -0.32832980 -0.43183593 Cu 8.73862601 5.26045157 -0.02652582 29 0.07963487 0.02842030 -0.38491168 Cu 8.74181158 3.49784456 1.76563397 29 -0.05107493 -0.15554028 -0.49643110 Cu 7.01648841 5.22077453 1.70210915 29 -0.06984886 0.28494469 0.18257920 Cu 10.51737898 3.52760239 0.03026815 29 -0.25138646 -0.21186159 -0.48974812 Cu 12.22385079 5.23575311 0.02129479 29 0.14528888 0.13129661 -0.54255597 Cu 12.25087381 3.49069999 1.75170088 29 0.13259904 -0.06381013 -0.33094965 Cu 10.52765711 5.26402707 1.71314064 29 -0.34879322 -0.29906295 0.12265258 Cu 14.02785690 3.51905865 0.03291096 29 -0.01321710 -0.14841106 -0.45097031 Cu 15.75228019 5.22949910 0.00475130 29 0.05984679 0.12077899 -0.46030513 Cu 15.72899464 3.47756455 1.77925067 29 0.16684807 0.32860279 -0.26042241 Cu 13.96782210 5.27017606 1.74751398 29 0.22178207 -0.09467710 -0.16196616 Cu 17.47390123 3.46483492 -0.01294819 29 0.30048793 0.03541638 -0.27826637 Cu 19.22074100 5.25129435 0.00753181 29 -0.21905439 -0.05855268 0.07886331 Cu 19.28263118 3.51474101 1.73225454 29 0.12798439 0.10376525 -0.19198580 Cu 17.49111013 5.25159106 1.72097275 29 0.33581862 -0.25652051 0.03671875 Cu -0.01523587 6.99695292 -0.00815468 29 0.20044680 -0.19019676 0.23592191 Cu 1.70056810 8.73438572 -0.00707708 29 -0.06636416 -0.06155588 -0.13017821 Cu 1.77334523 6.98654763 1.76223744 29 -0.53718978 0.19235429 -0.35141712 Cu 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0.02518472 29 0.04586313 0.05551529 -0.34888716 Cu 15.74912487 8.72870957 0.01020359 29 0.00373836 0.02479383 -0.29835128 Cu 15.77868715 6.97383149 1.72839062 29 -0.25878580 0.13445744 -0.06404515 Cu 13.97878391 8.79035017 1.73054776 29 0.04849925 -0.27809313 0.19198185 Cu 17.47434314 7.02050180 0.02236398 29 0.54277553 0.14168068 -0.50604616 Cu 19.27932189 8.75370523 -0.01387589 29 -0.31388735 0.11835346 0.39762123 Cu 19.27477065 6.95989014 1.72655895 29 0.01595522 0.23225174 -0.18063702 Cu 17.48259300 8.78178793 1.77745801 29 0.49958524 -0.20078311 -0.51220238 Cu -0.01188305 10.50724977 -0.03069195 29 0.33865711 0.15440652 0.31229827 Cu 1.71728877 12.26154087 -0.01569626 29 -0.26178659 -0.02556508 -0.19434740 Cu 1.72989635 10.48196515 1.78024425 29 -0.28986315 0.14546789 -0.66302489 Cu -0.03354167 12.27732395 1.74285065 29 -0.10072449 -0.00226232 -0.20135927 Cu 3.46702416 10.52339590 -0.01564999 29 -0.09278519 -0.11027808 -0.11031147 Cu 5.28360462 12.21224077 -0.02508043 29 -0.14900462 -0.01994245 -0.37871596 Cu 5.27671489 10.51359340 1.77632965 29 -0.41199848 -0.28532054 -0.65892100 Cu 3.47585069 12.23650800 1.71918276 29 0.10618768 0.07897120 -0.32166635 Cu 7.03121219 10.50938407 -0.01461920 29 0.00208942 -0.41006040 -0.27757070 Cu 8.74926234 12.25166315 0.02100783 29 0.06685143 0.18652873 -0.33298338 Cu 8.77747275 10.47473319 1.73616431 29 0.05487099 0.03788584 -0.20599648 Cu 6.99096714 12.21459667 1.73317364 29 0.15387219 0.20232826 -0.08374370 Cu 10.53080940 10.51581008 -0.01068296 29 -0.36966544 -0.03471527 -0.47459644 Cu 12.23382384 12.23523079 0.01294223 29 0.02082678 0.16578435 -0.59621180 Cu 12.24632112 10.52688117 1.72792480 29 -0.04139244 0.06723419 0.24544169 Cu 10.53112008 12.26031359 1.76634513 29 -0.34986146 -0.18288507 -0.30674638 Cu 14.00382454 10.45958561 0.01130711 29 -0.08186908 0.14428471 -0.57069042 Cu 15.73846344 12.27683470 0.01269556 29 0.00734152 -0.09172737 -0.57635256 Cu 15.75702783 10.53205070 1.74136414 29 0.18986135 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19.21584990 15.73135271 0.01782882 29 -0.12086227 0.29776703 0.13158947 Cu 19.25612759 13.99040795 1.72596654 29 0.28388421 -0.14442571 -0.11365323 Cu 17.49597396 15.74468046 1.77915164 29 0.22681970 -0.19963523 -0.26896482 Cu 0.02389741 17.50675420 0.01469556 29 0.36452054 0.29165956 0.37964392 Cu 1.76854669 19.28495572 -0.00028147 29 -0.10100081 -0.30252448 0.47902498 Cu 1.77660862 17.51938101 1.74663807 29 -0.55997514 0.14210540 -0.18611945 Cu -0.00930028 19.26895416 1.77079467 29 0.35600704 -0.49398772 -0.06450288 Cu 3.51477244 17.52739799 0.01826125 29 -0.20459925 0.18868747 -0.44812274 Cu 5.23920796 19.25782522 0.00926268 29 0.05928503 -0.11241398 0.08015632 Cu 5.22073441 17.48873082 1.75032951 29 0.32850676 0.44127304 -0.19463478 Cu 3.50918785 19.24048503 1.78184456 29 0.10882385 0.45092261 -0.30578063 Cu 7.03101995 17.49488944 0.03240341 29 -0.24131297 0.13164233 -0.45685968 Cu 8.68465434 19.27721107 0.01572202 29 0.11561443 -0.10067970 0.05975387 Cu 8.71630333 17.53426882 1.72877572 29 0.39395092 0.22109573 0.19616676 Cu 6.97337968 19.26053225 1.73200449 29 -0.22023553 0.38705786 0.18514069 Cu 10.51929473 17.49030396 0.02344257 29 -0.36142003 0.17612970 -0.41580777 Cu 12.21581561 19.21972325 -0.01116519 29 0.14694316 -0.11309628 0.25167788 Cu 12.24069307 17.48005874 1.74104402 29 0.00325478 0.35305582 -0.34899991 Cu 10.48295778 19.27764224 1.75590320 29 0.04137335 0.13054160 -0.17103895 Cu 14.02971119 17.50339364 -0.00156553 29 -0.11453416 0.17609801 -0.25010231 Cu 15.75100553 19.23125891 -0.01674646 29 -0.01631656 -0.18172445 0.15420534 Cu 15.77588767 17.48919607 1.76181431 29 -0.12396173 0.41063465 -0.12782146 Cu 14.02469237 19.21816206 1.77431814 29 -0.07569704 0.37387317 -0.45012207 Cu 17.46890965 17.49773919 0.02158739 29 0.45335578 0.23647843 -0.33771499 Cu 19.27100505 19.21703480 0.01087502 29 -0.47969346 -0.60925959 0.43079788 Cu 19.23933189 17.49002691 1.74499302 29 0.23574813 0.27136722 -0.23424834 Cu 17.50058619 19.25992244 1.72538987 29 0.20798840 0.28370660 -0.15255697 Cu -0.00205636 -0.01494626 3.49692935 29 0.40046702 0.24758230 -0.09693056 Cu 1.73673800 1.78353866 3.47056592 29 -0.25314258 -0.44722153 0.28111938 Cu 1.75297824 0.01131109 5.27875821 29 -0.40035159 -0.22082379 -0.17241431 Cu -0.02784177 1.76878825 5.27390738 29 -0.14589829 -0.25798692 -0.27844826 Cu 3.47272997 -0.02020402 3.52498654 29 -0.02670627 -0.20567018 -0.13169201 Cu 5.23246032 1.75360674 3.47353065 29 -0.00601099 -0.29159302 -0.12327274 Cu 5.21597866 -0.00228913 5.23710178 29 0.15062552 -0.38275320 0.13281788 Cu 3.52512146 1.72639697 5.23290618 29 -0.22267034 0.13296798 -0.04952415 Cu 6.96370613 0.00486772 3.50320162 29 0.04348612 -0.28254034 -0.09682778 Cu 8.75982159 1.74920061 3.48984567 29 0.07338955 -0.42869314 0.19476399 Cu 8.75120015 -0.03186438 5.25341274 29 0.10485546 -0.25689367 -0.14230280 Cu 7.01024299 1.76765397 5.21648997 29 -0.27713894 -0.38148001 0.30547384 Cu 10.50197657 -0.03093071 3.50021494 29 0.13559479 -0.21495054 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3.52218270 5.25753670 29 -0.09009621 -0.22085778 -0.22110767 Cu 0.00307103 5.26031711 5.28911006 29 -0.42392020 -0.22576370 -0.26510933 Cu 3.49447899 3.47852315 3.50048467 29 -0.12112900 0.01474218 -0.11011061 Cu 5.21865651 5.26519682 3.50841684 29 0.33030818 0.08724467 -0.46804229 Cu 5.23963368 3.51846851 5.21899500 29 0.14929790 -0.25417722 0.13563222 Cu 3.53239845 5.21643225 5.22002365 29 -0.34168818 0.28144861 0.11393029 Cu 7.00324413 3.47376315 3.47992757 29 0.05455396 0.09759320 0.00146193 Cu 8.74647433 5.25731021 3.48210303 29 0.14941352 0.12512680 0.29836776 Cu 8.74149624 3.47438394 5.25058136 29 0.03917328 0.41357714 -0.32589977 Cu 6.96831668 5.24765138 5.21669851 29 0.31298602 -0.24740144 0.08112075 Cu 10.48249497 3.47426716 3.46911640 29 0.16484527 0.42450880 0.26503250 Cu 12.24098374 5.25726426 3.45168251 29 -0.24730389 0.00351028 0.40368632 Cu 12.26056067 3.50594307 5.29131683 29 -0.22993467 -0.15293998 -0.25811847 Cu 10.51929631 5.27108989 5.26803823 29 -0.17492451 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