108 Lattice="10.604303930257732 0.0 0.0 0.0 10.604303930257732 0.0 0.0 0.0 10.604303930257732" Properties=species:S:1:pos:R:3:forces:R:3 energy=-310.63160277592505 stress="-3.484661515066172 0.5223715231585508 0.7373559968312375 0.5223715231585508 -3.0342745866605547 -0.06769598613414551 0.7373559968312375 -0.06769598613414551 -3.074702565854498" pbc="F F F" Cu 0.02930099 -0.01335487 -0.01245195 0.47727724 0.51861443 0.56111569 Cu 1.78096744 1.73243743 0.01208202 -0.26160635 0.35543491 -0.43206023 Cu 1.78114968 -0.02601312 1.75660787 -0.09941582 -0.14094438 0.23447604 Cu -0.00519214 1.78788900 1.75058163 -0.18307120 -0.14148012 0.13269848 Cu 3.50834419 0.04365364 -0.02540549 0.18243041 -0.03393196 0.19120355 Cu 5.27913478 1.78977579 -0.00107008 0.37794709 -0.25413921 -0.27268712 Cu 5.26783820 -0.02078544 1.79405904 0.19771864 -0.18653186 -0.32787675 Cu 3.51956489 1.79073725 1.75136750 -0.08054883 -0.36351930 0.33137194 Cu 7.08239118 -0.01936288 -0.03466904 -0.27262592 0.49400368 0.51939552 Cu 8.85461089 1.73747863 0.03461998 -0.33969809 0.25152621 0.11536183 Cu 8.81010592 0.03353853 1.77113369 -0.14651682 -0.11519658 0.08676698 Cu 7.10325946 1.74317863 1.76667741 -0.63319275 0.17881207 -0.06380340 Cu 0.00479608 3.55993295 -0.00354501 0.23238434 -0.17561076 0.04117745 Cu 1.78747328 5.33498672 0.02198969 -0.15398482 -0.05486895 -0.72430404 Cu 1.75990392 3.56222052 1.73501231 0.05651983 -0.33532316 0.26391999 Cu 0.02972190 5.28282481 1.74322536 -0.62623824 0.25273632 0.10741860 Cu 3.53723160 3.55044251 0.00402905 -0.16739322 -0.12744306 -0.65330500 Cu 5.32216346 5.27719882 0.01534792 -0.12571650 0.41110217 -0.61195492 Cu 5.28103050 3.51530335 1.77899832 0.40553244 -0.10592509 0.18358953 Cu 3.55916818 5.28879721 1.75472016 -0.27551077 0.20815641 0.33698413 Cu 7.06641952 3.56779467 0.02572304 0.04088849 -0.53775343 -0.58030758 Cu 8.82461748 5.29635074 -0.00987936 -0.08621162 0.13466572 0.19716205 Cu 8.80381778 3.54855960 1.75766496 0.54358823 -0.06741432 0.22165405 Cu 7.05226222 5.29704293 1.75276753 0.24735800 0.18784885 0.34221353 Cu -0.01990788 7.06646569 -0.03424789 0.43547896 -0.07371957 0.45381494 Cu 1.78866414 8.81060957 0.02767921 -0.15200582 -0.14045908 0.20749328 Cu 1.77374341 7.06212110 1.76798579 0.11367252 0.08568267 0.19444194 Cu -0.02375919 8.80211673 1.76548712 0.33828550 -0.23225129 -0.05179576 Cu 3.50092622 7.07669996 0.00237997 0.41441221 0.03914321 -0.35224091 Cu 5.31765620 8.81805868 -0.01856333 -0.01884395 -0.30378225 0.45362648 Cu 5.27235130 7.05308009 1.79374977 0.29151510 0.43393533 -0.45922292 Cu 3.51714128 8.86593811 1.79728749 0.10362292 0.20252737 -0.12641143 Cu 7.09889676 7.07816322 0.02749879 -0.37884159 -0.06884205 -0.38790666 Cu 8.80231415 8.80978852 0.03248714 -0.34191071 -0.27622629 0.37289372 Cu 8.82020075 7.08070834 1.76783861 0.39548175 -0.24577135 0.17845732 Cu 7.07720456 8.85008747 1.81158774 -0.24455402 0.20741827 -0.15296152 Cu -0.00313954 -0.02414247 3.52654947 0.34392342 0.44167593 -0.04567148 Cu 1.74679821 1.79810498 3.55200646 0.06869534 -0.36589292 -0.22603755 Cu 1.75625181 0.02121639 5.31036414 -0.06722885 -0.32550843 0.05189272 Cu -0.03450833 1.79128674 5.32618526 -0.32006630 -0.24235953 -0.15830982 Cu 3.51334761 -0.02248791 3.56136512 -0.10419621 -0.12721430 -0.11891067 Cu 5.31304242 1.73674079 3.53326706 -0.12455068 0.30689890 -0.16886196 Cu 5.29758682 0.01782972 5.31019769 0.09797604 -0.60826464 0.08850612 Cu 3.56509759 1.79779286 5.33158247 -0.56347477 -0.23710148 -0.41015029 Cu 7.04666278 -0.00379170 3.56586551 0.22915244 -0.42293040 -0.09822423 Cu 8.83114023 1.75340252 3.51867388 0.30566298 0.08519720 0.30334305 Cu 8.81858556 -0.03533531 5.35627533 -0.21908455 0.44067949 -0.12764603 Cu 7.05193845 1.78663405 5.32917363 0.35669854 -0.31734504 -0.16148999 Cu 0.01749172 3.56184737 3.55959713 -0.58757920 -0.16563124 -0.29395654 Cu 1.78216214 5.30532515 3.55684702 0.18401891 0.04791006 -0.41619310 Cu 1.76097282 3.56019809 5.30190723 0.28906621 -0.34362225 0.16614036 Cu 0.02358242 5.29919886 5.31776479 -0.83322373 0.06536233 -0.07884019 Cu 3.50766401 3.51082046 3.50546216 0.31095986 0.24335955 0.33154532 Cu 5.33711304 5.33322320 3.50483896 -0.37512590 -0.65266938 0.44755488 Cu 5.30956747 3.50284215 5.31317579 -0.22686406 0.58267198 -0.40974371 Cu 3.55360848 5.31698019 5.29666069 0.00275114 -0.27062807 0.06586685 Cu 7.05004975 3.55101714 3.56463479 0.20490519 -0.21287067 -0.34173072 Cu 8.87193041 5.32551197 3.55363133 0.17744247 -0.10045205 -0.14079274 Cu 8.85586610 3.51573143 5.32428707 0.41932300 0.02745365 -0.13169131 Cu 7.09335385 5.26767930 5.33367960 -0.24007398 0.33798255 -0.13627601 Cu 0.02210877 7.05509123 3.48672271 -0.61728016 0.00135149 0.18966127 Cu 1.74003276 8.86170693 3.53442243 0.20828332 0.26128807 -0.19420884 Cu 1.73370705 7.07011293 5.26777450 0.42180009 0.13936587 0.32985304 Cu 0.03434986 8.85862370 5.28133322 0.04781839 -0.26850454 0.16808177 Cu 3.56973726 7.06090506 3.55980051 -0.59919324 0.13891400 -0.34590083 Cu 5.30232976 8.85546827 3.52729319 0.03752326 0.46505000 0.04472080 Cu 5.29057689 7.08662926 5.27669112 0.21574463 -0.18448982 0.45073611 Cu 3.51306302 8.83997434 5.30817178 -0.07794150 0.40597699 0.05733110 Cu 7.03792604 7.03476249 3.56554569 0.42855586 0.20090063 -0.29800089 Cu 8.83472329 8.81502578 3.52442067 -0.08105378 -0.15834637 -0.00636594 Cu 8.83871737 7.08746139 5.31459742 0.42256874 -0.10286767 0.14259408 Cu 7.10151501 8.82949330 5.27867419 -0.15163848 0.51353600 0.11630273 Cu -0.01373308 0.00072148 7.09255092 0.36684009 0.37510389 -0.08530094 Cu 1.74321206 1.77044604 7.05576501 0.30720505 -0.24362945 0.06707966 Cu 1.76670920 -0.00245817 8.84959655 0.14726754 0.41535971 -0.46241521 Cu 0.02123916 1.78332289 8.85799334 0.20710335 -0.14721825 -0.23797339 Cu 3.55807430 -0.00389601 7.05391029 -0.30998558 -0.30472290 0.19688949 Cu 5.28735753 1.79294580 7.05270014 0.38219443 -0.42329971 0.55510853 Cu 5.28741701 -0.01455668 8.84013726 0.11999976 0.35505383 -0.30841022 Cu 3.53907636 1.78240470 8.83495951 -0.16361121 -0.21016072 0.33168204 Cu 7.07960634 -0.02497620 7.07162539 -0.23401566 -0.12905046 0.07937064 Cu 8.82380717 1.80249830 7.08900905 0.36571473 -0.26047040 -0.05803238 Cu 8.81235126 0.01327756 8.83353454 -0.37594868 0.40788006 -0.48127192 Cu 7.09053052 1.74513522 8.85171946 -0.28546393 0.18302023 0.17934493 Cu 0.01089307 3.50087181 7.09295876 -0.66061685 0.23703408 -0.11155892 Cu 1.74360742 5.30542993 7.04096178 0.57538685 0.06407650 0.22929816 Cu 1.74876701 3.52315795 8.80239041 0.33160236 0.17033065 0.58163784 Cu 0.04005951 5.33707314 8.81503654 -0.01629050 -0.13434892 0.01465935 Cu 3.54070707 3.51504849 7.05745861 -0.28152842 0.36783474 0.12352798 Cu 5.29872748 5.28500442 7.09292962 0.10753290 0.19823254 -0.37125973 Cu 5.29809723 3.53070668 8.84968560 0.13684278 -0.11642506 0.46378303 Cu 3.56029786 5.33244738 8.81892868 -0.48595863 -0.23138343 0.50388731 Cu 7.03855321 3.53170647 7.05270975 0.29689151 -0.02147824 0.46761350 Cu 8.84472904 5.30424818 7.09412863 0.31495255 0.02658965 -0.14579267 Cu 8.85294740 3.55158220 8.82678732 -0.31748164 -0.07525683 -0.14449916 Cu 7.06218937 5.30033524 8.84606971 0.10860356 0.10827666 0.30955611 Cu 0.01016321 7.04346837 7.06386904 -0.52509652 0.35153420 -0.12067048 Cu 1.75953694 8.82223158 7.09939964 0.07655576 0.36867467 -0.23360851 Cu 1.74981174 7.09934388 8.82996976 0.25776108 -0.24224443 0.42083916 Cu -0.00994583 8.80219439 8.83545614 0.39317832 -0.41892860 -0.46945991 Cu 3.55009608 7.05377532 7.06688934 -0.18129984 0.22919622 -0.13717843 Cu 5.32538581 8.86706050 7.04122709 -0.11372457 0.19292896 0.15288746 Cu 5.29449467 7.06124116 8.87089758 0.21601482 0.16904983 0.17279712 Cu 3.54097682 8.80827830 8.85162760 0.05056470 -0.12658310 -0.28443532 Cu 7.03530243 7.06257210 7.03480815 0.15127190 0.05277397 0.37272719 Cu 8.80198508 8.85821635 7.10165804 -0.35694471 -0.37665395 -0.08546769 Cu 8.86530492 7.05557423 8.80414346 -0.53051637 0.06185570 -0.29286309 Cu 7.02478375 8.83387488 8.84883175 0.07447798 -0.45230110 -0.36801772