500 Lattice="17.837450628211876 0.0 0.0 0.0 17.837450628211876 0.0 0.0 0.0 17.837450628211876" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1602.2283802132156 stress="-18.933575900814322 -0.7766697190861329 0.10145595010113517 -0.7766697190861329 -18.918971460291772 -1.609367739787821 0.10145595010113517 -1.609367739787821 -18.02322042681695" pbc="F F F" Cu 0.01526710 0.02435942 -0.01354114 0.52743854 0.51613247 0.51974479 Cu 1.80036638 1.79113606 0.01932074 -0.19527041 -0.06750763 -0.22533836 Cu 1.79250873 0.00882048 1.75762058 -0.14400833 -0.03887400 0.06494754 Cu -0.02381685 1.79156804 1.74935290 0.10355783 -0.02909120 0.07325901 Cu 3.59934489 0.00132774 0.02012405 -0.06487089 0.31126300 0.18174970 Cu 5.37315027 1.81856562 0.03698261 -0.09472480 -0.24769478 -0.13684382 Cu 5.32950132 -0.02525218 1.79757832 0.21173186 0.18488435 0.02832128 Cu 3.55101025 1.80126186 1.77346513 0.25102404 -0.23496804 0.19637102 Cu 7.15125065 0.00965073 -0.03479705 -0.16246037 0.26537193 0.36093069 Cu 8.91078376 1.77706816 0.03324439 0.17106418 0.10526517 -0.25606708 Cu 8.89603336 -0.00190866 1.77404695 0.21086537 -0.21304298 -0.05066903 Cu 7.16916076 1.77462792 1.77324489 -0.34210233 -0.06263240 0.16128792 Cu 10.73396341 0.02069114 -0.03251733 -0.14333085 0.20773902 0.40300302 Cu 12.47983199 1.75821289 0.00860071 0.02068132 0.27700287 -0.16586636 Cu 12.50275334 0.02765895 1.80256027 -0.07173589 -0.30855281 -0.08366106 Cu 10.71566770 1.75932613 1.80390611 0.04121517 0.07967486 -0.34088321 Cu 14.27407466 0.01612770 0.03312454 -0.11288582 0.08582041 0.08957157 Cu 16.03831473 1.75795133 -0.01051154 -0.31567105 0.28544205 0.36291318 Cu 16.05044476 0.02266814 1.76736155 -0.24423487 0.21323462 0.14095791 Cu 14.25350859 1.74966619 1.75542232 0.25482457 0.28962765 0.09008235 Cu -0.01559379 3.60332290 -0.02641636 0.37951733 -0.09432579 0.37284057 Cu 1.81651296 5.32628157 -0.02043186 -0.17042972 0.23649469 0.05843270 Cu 1.79882279 3.55024120 1.76125804 -0.33380631 0.14706564 0.16199096 Cu 0.03521445 5.34430369 1.80748826 -0.12825275 0.03639081 -0.16661199 Cu 3.55973950 3.58369414 0.02935212 0.16377852 -0.12041928 -0.24694451 Cu 5.32392754 5.34291779 0.02053765 0.10808818 0.10905527 -0.16552775 Cu 5.36183044 3.54356083 1.81796993 -0.20609425 0.06120658 -0.07911846 Cu 3.58361930 5.37195693 1.80539481 0.04613355 -0.08832587 -0.15985982 Cu 7.10979513 3.59622709 0.02562712 0.22190644 -0.13295563 -0.23506558 Cu 8.94162739 5.33816218 -0.03437557 -0.19586469 0.00366971 0.02235918 Cu 8.93993682 3.55440509 1.78871654 -0.15070353 0.15259837 -0.21858892 Cu 7.11145003 5.31647393 1.79000773 0.15737081 0.20009434 -0.17933728 Cu 10.69606666 3.59975128 -0.02648420 0.22484614 -0.27516662 0.09707000 Cu 12.50423243 5.38204607 -0.03167523 -0.05944465 -0.15795090 -0.00271097 Cu 12.52087580 3.53713821 1.80856582 -0.35331639 0.15457002 -0.45781360 Cu 10.70619024 5.34546329 1.79080793 0.09515938 0.02285955 -0.08653056 Cu 14.26034520 3.58704055 -0.02036828 0.01931967 -0.24883095 0.01233100 Cu 16.03496644 5.34343937 0.02325965 -0.17840974 0.01686250 0.16538768 Cu 16.01821685 3.57528665 1.81374611 0.05718173 -0.06638292 -0.31010005 Cu 14.24439691 5.36725949 1.74422211 0.30719775 -0.11026759 0.23718125 Cu -0.02863220 7.09830341 0.01096315 0.45657085 0.05423770 0.37508133 Cu 1.79996248 8.90097419 -0.00192955 -0.20966690 0.02984325 0.07416194 Cu 1.78423556 7.11765915 1.80429069 -0.26161667 0.17316427 -0.39300815 Cu -0.03515358 8.93815420 1.78742450 0.13975205 -0.18617469 -0.03517287 Cu 3.57780716 7.14999971 -0.00123209 -0.15808568 -0.18033515 -0.04431423 Cu 5.31664105 8.88812205 0.03506747 0.14891930 0.14758178 -0.45086565 Cu 5.40213950 7.15621699 1.76474453 -0.26321625 -0.29143430 0.29502268 Cu 3.54628551 8.90225278 1.81197496 0.13510697 0.15774402 -0.12617340 Cu 7.16611621 7.15054395 -0.01098638 -0.14403734 -0.13049970 -0.28698594 Cu 8.96733413 8.95210603 0.00306146 -0.12255510 -0.21816889 -0.04700131 Cu 8.86128149 7.11658439 1.74205296 0.37182415 0.11894847 0.12534104 Cu 7.10279759 8.93150869 1.75032720 0.37175468 -0.08325949 0.13243164 Cu 10.71409664 7.10446484 0.02434771 -0.03290190 0.17966065 -0.13134444 Cu 12.45399835 8.94951228 0.00445414 0.28190770 -0.26865357 -0.12200877 Cu 12.51184146 7.12003017 1.80977339 -0.16116180 0.22380237 -0.28754096 Cu 10.73015084 8.88546672 1.81910487 -0.11939956 0.21351428 -0.23093481 Cu 14.28446692 7.16492098 0.00426339 -0.29627681 -0.22879644 -0.33212953 Cu 15.98681333 8.90119995 0.01781100 0.17154457 0.24409352 -0.02706653 Cu 16.02684919 7.14474896 1.76155136 0.22079256 -0.23507378 0.34073911 Cu 14.29445883 8.88940611 1.74906160 -0.35137040 0.33210276 0.46759276 Cu -0.00848281 10.68730889 0.01228254 0.35282037 0.05231680 0.30011784 Cu 1.75104342 12.51053124 0.02485905 0.15921525 -0.15829932 -0.08981268 Cu 1.77414438 10.68451010 1.81175176 -0.10945547 0.13701426 -0.29833573 Cu -0.02034513 12.51808014 1.77829082 0.01144181 -0.21121181 0.02567130 Cu 3.60076774 10.68889318 0.02876731 -0.38678810 0.10548915 -0.18230771 Cu 5.33832793 12.50206701 0.00562996 0.16625530 0.05682986 -0.11347127 Cu 5.35433422 10.69174283 1.74887655 -0.03969194 0.21489043 0.30253669 Cu 3.58045862 12.47957932 1.80752332 -0.10648547 0.11687279 -0.18848279 Cu 7.14753522 10.68305876 -0.01262474 -0.15358513 0.12966456 -0.07604368 Cu 8.88592553 12.46676711 -0.02186296 0.21654014 0.04758035 0.09072252 Cu 8.90034112 10.70419735 1.80758057 0.12388451 0.14037227 -0.30183323 Cu 7.13031240 12.53438434 1.81892387 0.25471258 -0.28921414 -0.38394667 Cu 10.71036490 10.66883554 0.01779935 -0.07675269 0.35189773 -0.05044472 Cu 12.46426641 12.50682089 0.02155232 0.17774901 -0.12493387 -0.33814176 Cu 12.53227516 10.71129982 1.75857460 -0.23356115 -0.22881570 0.23937057 Cu 10.70584473 12.47331290 1.79443491 -0.17195457 -0.00146442 -0.17187029 Cu 14.29203598 10.73601326 0.00522914 -0.17691082 -0.14146220 -0.21011907 Cu 16.05378740 12.45818252 0.00888805 -0.11671562 0.24784311 0.24275487 Cu 16.04511956 10.72749481 1.78067378 0.10653648 -0.20096657 0.07382254 Cu 14.25505453 12.51044211 1.75224300 0.36138275 -0.07632938 0.13293177 Cu -0.02032284 14.31861851 0.00108844 0.29518164 -0.21172528 0.32081856 Cu 1.74280078 16.04578063 0.00322098 0.17048830 -0.28840410 0.32664024 Cu 1.78887684 14.24896520 1.77154178 -0.05133343 0.23206556 0.04413927 Cu -0.02784169 16.05996532 1.76136313 0.39414679 -0.39300275 0.19238788 Cu 3.56912777 14.29800314 -0.01754022 -0.06528689 -0.11359047 0.11854525 Cu 5.35696232 16.03006877 -0.00934568 0.10991023 -0.30218255 0.38560947 Cu 5.37573588 14.24111787 1.81618671 -0.36936729 0.47392361 -0.33082523 Cu 3.55586395 16.08731779 1.75356156 0.08355765 -0.18921442 0.15883787 Cu 7.16836430 14.27540828 -0.01986497 -0.22935932 -0.07084372 0.03888943 Cu 8.88603861 16.04204320 0.02153718 0.20638152 -0.12315688 0.12438062 Cu 8.95900752 14.30217007 1.76513803 -0.24227827 -0.43555246 0.04667656 Cu 7.15546355 16.02256333 1.81005387 -0.24456146 0.24888945 -0.27783424 Cu 10.72744480 14.24378053 0.02711712 -0.20085584 0.19263020 -0.17327943 Cu 12.45766608 16.06579155 0.03128231 0.14611352 -0.36953438 0.28502349 Cu 12.51872264 14.25082649 1.78225379 -0.13913374 0.31072149 -0.11742959 Cu 10.68261726 16.04599033 1.80351776 0.21541496 0.26643004 -0.28102476 Cu 14.32175678 14.26768947 -0.00916984 -0.17816087 0.11547763 -0.10001402 Cu 16.06831153 16.05707782 0.02388164 -0.47318444 -0.48633491 0.48013778 Cu 16.03675333 14.30502719 1.80602678 0.30364861 -0.19820155 -0.17457345 Cu 14.28898573 16.02584255 1.76632612 -0.08923322 0.23093941 0.02603190 Cu 0.00255476 0.00547992 3.57176681 0.35017387 0.32049533 -0.06857887 Cu 1.77942168 1.76984270 3.55350171 -0.18882597 0.07063640 0.10536266 Cu 1.79397407 -0.03497325 5.38053379 -0.15973199 0.12880959 -0.13770435 Cu -0.00508880 1.81749461 5.32826839 0.09785596 -0.18130721 0.13697845 Cu 3.55100132 0.02362240 3.58927342 0.08798960 -0.16481328 -0.13021981 Cu 5.37285282 1.80206739 3.59412570 -0.18676539 -0.17818349 -0.29044406 Cu 5.37456078 0.03339745 5.38016008 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5.35560044 0.23386516 0.20689435 -0.11132933 Cu 10.71277604 5.35010642 5.36670956 -0.14779307 -0.01971052 -0.24519792 Cu 14.23805948 3.54102025 3.53981941 0.37249915 0.16440679 0.28007125 Cu 16.05691919 5.33201349 3.59679863 0.03409344 0.10755441 -0.33107819 Cu 16.05618691 3.57439201 5.36748517 0.08701878 -0.15324803 -0.22404170 Cu 14.29757775 5.35899699 5.32592872 -0.25780679 -0.24344615 0.22054891 Cu -0.00783363 7.16268799 3.59085461 -0.10641624 -0.16939226 -0.15701488 Cu 1.79320985 8.89663209 3.58080374 -0.23583054 0.12931128 0.01959638 Cu 1.79271129 7.10527255 5.33870235 -0.24560207 0.14809789 0.15418641 Cu -0.01401939 8.89480434 5.37203235 0.02991762 0.07898898 0.07757822 Cu 3.56233638 7.15716036 3.54649407 0.35038146 -0.18868684 0.20655186 Cu 5.38009788 8.93740360 3.58304527 -0.25343853 -0.13197768 -0.25894161 Cu 5.35681696 7.15642635 5.34702605 -0.04955263 -0.32875932 -0.07947145 Cu 3.59872741 8.90095779 5.37367789 -0.34113518 0.23216778 -0.27596693 Cu 7.16367816 7.10907967 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