108 Lattice="10.650907177226326 0.0 0.0 0.0 10.650907177226326 0.0 0.0 0.0 10.650907177226326" Properties=species:S:1:pos:R:3:forces:R:3 energy=-329.520808783628 stress="-0.009412802278458948 -0.0003542718199555453 0.0003777110424193867 -0.0003542718199555453 -0.00891532265604044 0.0004051328599633737 0.0003777110424193867 0.0004051328599633737 -0.009708743136153634" free_energy=-329.520808783628 pbc="F F F" Cu 0.02087124 0.02515836 0.01992247 0.32501460 0.24927761 0.26703119 Cu 1.78436179 1.75661143 0.02457830 -0.10561068 0.08081340 -0.44807898 Cu 1.78133102 0.01125866 1.77200782 -0.03661978 -0.46728116 0.08481063 Cu 0.03363551 1.72713368 1.75914160 -0.46109236 0.25975770 0.17090306 Cu 3.56785694 0.04065419 0.00981035 -0.12175622 -0.15564045 0.02026547 Cu 5.28997791 1.74371582 0.01728313 0.36261933 0.18843235 -0.30715912 Cu 5.30648035 0.03042265 1.80300293 0.12871244 -0.48859700 -0.05231410 Cu 3.54410916 1.75047871 1.78252667 -0.12408032 0.12582147 0.09756421 Cu 7.11471672 0.01642783 0.02841891 -0.15785111 0.20085212 0.20272583 Cu 8.90609574 1.74177668 0.01000257 -0.32542070 0.19941960 0.23981264 Cu 8.87373650 0.00655332 1.76953038 -0.10305782 0.13405035 0.08670482 Cu 7.13313373 1.75822621 1.79790353 -0.19990141 0.06053980 -0.42476395 Cu 0.00441548 3.54569177 0.01222905 0.09033598 -0.08308666 0.13845709 Cu 1.76795360 5.29566536 0.03058454 0.00858956 0.09354010 -0.53142086 Cu 1.74780985 3.53903973 1.76216158 0.08546711 -0.10244401 0.22481849 Cu 0.02275872 5.33896957 1.78014731 -0.44530797 -0.08929277 0.01708052 Cu 3.55085117 3.51589832 0.03351360 -0.04704131 0.14669064 -0.46732362 Cu 5.33137532 5.29031505 0.02916156 -0.14734648 0.17308306 -0.51742622 Cu 5.29693666 3.55068147 1.79487516 0.25392540 -0.13675052 -0.17328173 Cu 3.52384614 5.35789103 1.75230089 0.25120576 -0.29992099 0.18131776 Cu 7.07587472 3.52743494 0.00264220 0.11074472 -0.17457744 -0.24793629 Cu 8.86576016 5.30076197 0.03515201 -0.09895027 0.07409080 -0.00227437 Cu 8.85100710 3.54704113 1.76036875 0.40992782 -0.14179678 0.08698374 Cu 7.09426515 5.30178756 1.74942714 0.05417855 0.19686356 0.32326405 Cu 0.02898101 7.06763012 0.02405225 0.11012320 0.12278686 0.07514267 Cu 1.78964157 8.86532225 0.02135020 0.07560845 -0.10135025 0.08208573 Cu 1.77622481 7.12373019 1.76345937 -0.03371774 0.09885972 0.02792305 Cu 0.03272723 8.88883922 1.74526122 0.13772801 -0.17677917 0.11069524 Cu 3.53169427 7.08555481 0.02931174 0.14027357 0.21939352 -0.56267490 Cu 5.35338057 8.87827825 0.01321574 -0.08671764 -0.15220556 0.12499609 Cu 5.30485537 7.12209747 1.74530147 0.24397989 -0.11807538 0.18117035 Cu 3.57447490 8.88066543 1.80942007 -0.20974605 0.36903690 -0.27198086 Cu 7.09238240 7.07415365 0.02905642 0.08648974 0.18966284 -0.42039190 Cu 8.88614100 8.84572949 0.02108490 -0.42975682 -0.36730502 0.33234679 Cu 8.87061620 7.11292929 1.74698132 0.19133330 -0.12960191 0.20321589 Cu 7.13417829 8.88451649 1.76645584 -0.19194645 0.17971831 -0.03912232 Cu 0.00546870 0.00361189 3.56570608 0.10414859 0.08868778 -0.02834305 Cu 1.75962999 1.73989944 3.57963464 0.00859631 0.29899253 -0.32493384 Cu 1.79404541 0.02420297 5.30439955 -0.19753875 -0.45127587 0.41504155 Cu 0.01178523 1.79072100 5.34866785 -0.46894064 -0.22354739 -0.11845516 Cu 3.52582819 0.00868981 3.58375227 0.17990363 -0.46357524 -0.17019371 Cu 5.29430402 1.78650897 3.57931743 0.22896027 -0.20300650 -0.34881503 Cu 5.35142714 0.02033150 5.29788719 -0.19376524 -0.48350355 0.12893799 Cu 3.57307804 1.80185085 5.34517480 -0.41158605 -0.27713096 -0.13309893 Cu 7.10541654 0.03066917 3.51542990 0.04127053 -0.45090319 0.25882020 Cu 8.89252795 1.75555239 3.56275944 0.28741255 0.07733823 -0.11598280 Cu 8.85484343 0.03815413 5.34604712 -0.05426450 -0.01640831 -0.03684672 Cu 7.09739218 1.76810331 5.35353700 0.06361246 0.11367221 -0.25613596 Cu 0.00380627 3.58153604 3.57401699 -0.42627425 -0.29254206 -0.35084101 Cu 1.79517005 5.32784580 3.52754042 -0.17446087 0.14280512 0.25304425 Cu 1.74305434 3.53733322 5.27634940 0.29827176 0.22201834 0.34599953 Cu 0.00317619 5.32159533 5.29486630 -0.24801315 0.27402378 0.21441133 Cu 3.56012162 3.57681720 3.52795168 -0.33262503 -0.18878695 0.09772478 Cu 5.31599428 5.33365713 3.56740359 0.15431335 0.12547087 -0.20689054 Cu 5.29478189 3.52740299 5.29850342 0.46647015 0.39580892 0.33582110 Cu 3.57852496 5.31513209 5.35311911 -0.34700157 0.17555720 -0.34640720 Cu 7.08278210 3.51946339 3.53175023 0.18888206 0.26766527 0.13991949 Cu 8.87933204 5.32446482 3.52404749 0.10522667 0.09165793 0.09339278 Cu 8.84500357 3.52190791 5.29194261 0.52094836 0.13031400 0.15113151 Cu 7.11323440 5.29443364 5.34831483 -0.13205818 0.28338430 -0.32116949 Cu 0.03217812 7.13172773 3.51084476 -0.37646463 -0.09914600 0.22784342 Cu 1.76501166 8.88926416 3.57056964 0.12495909 0.35120244 -0.20249177 Cu 1.78890119 7.13558128 5.34363288 -0.27636585 -0.28763641 -0.26058273 Cu 0.04272028 8.87305414 5.31414770 -0.11657111 -0.05272510 0.06608387 Cu 3.53982777 7.11773914 3.56175994 0.04526672 -0.10004816 -0.05278105 Cu 5.31269162 8.84295592 3.55158490 0.19423676 0.59494248 0.01908545 Cu 5.30392568 7.11853772 5.34683130 0.25220613 -0.18759415 -0.18806791 Cu 3.55878522 8.90411808 5.33202326 -0.08099775 0.43199283 -0.15681144 Cu 7.06538396 7.13606167 3.56549791 0.41520016 -0.33581431 -0.18401098 Cu 8.86827453 8.87489674 3.51477969 -0.15017728 -0.18635153 0.12031295 Cu 8.87712699 7.12541082 5.31918736 0.24106339 -0.12025035 -0.13777698 Cu 7.10596061 8.86283483 5.34912973 0.08169939 0.40391385 -0.10349955 Cu 0.00110885 0.03189643 7.12768984 0.26526081 0.15933105 -0.16605210 Cu 1.77867672 1.78413593 7.09229012 -0.05715498 -0.17022224 0.12550283 Cu 1.80749372 0.00949886 8.85238138 -0.13118389 0.17775184 -0.15567132 Cu 0.00961169 1.79476576 8.85121682 0.21939299 -0.03100324 -0.12899701 Cu 3.57595115 0.00982275 7.11869211 -0.08102152 -0.41971491 -0.20007917 Cu 5.29031399 1.79708086 7.09341568 0.32298499 -0.12279809 0.18161532 Cu 5.35971272 0.02692554 8.88117388 -0.14544515 0.05259532 -0.12095056 Cu 3.53859481 1.75505087 8.84590357 0.10000596 0.18914880 0.43426646 Cu 7.07173899 0.02629485 7.07138230 0.22708244 -0.42467042 0.35364105 Cu 8.86454797 1.77896390 7.12186083 0.31462483 -0.08704910 0.09028422 Cu 8.86816396 0.00684167 8.90786837 -0.57754359 0.52224124 -0.58431405 Cu 7.07615339 1.75385203 8.85434409 0.32798869 0.14150916 0.28804464 Cu 0.01289830 3.53042455 7.08542097 -0.26079712 0.34710974 0.17869685 Cu 1.80952926 5.32443336 7.08345284 -0.59902520 0.03525836 0.16021542 Cu 1.77761249 3.53204348 8.89431185 -0.09302141 0.12451936 0.17713669 Cu 0.03546004 5.35648666 8.90313630 0.23559528 -0.08432061 -0.34274989 Cu 3.52554460 3.58167810 7.08060887 0.15704099 -0.28866373 0.35214411 Cu 5.29957980 5.35624233 7.12976571 0.29666190 -0.32772180 -0.00260123 Cu 5.33883609 3.51918537 8.88288380 -0.08100062 0.28307574 0.26762106 Cu 3.51709762 5.31461782 8.87094946 0.21757920 0.07038732 0.37859291 Cu 7.12524203 3.55960858 7.10293898 -0.14176438 -0.00625103 0.22730101 Cu 8.87903546 5.33889194 7.06619210 0.39111833 -0.13410832 0.17217054 Cu 8.90169457 3.54999718 8.88730645 -0.29861742 -0.02207451 -0.26479861 Cu 7.15165463 5.33948205 8.88473493 -0.16308066 -0.15352864 0.15445970 Cu 0.00499655 7.11754444 7.10371566 -0.10735191 -0.06565035 0.04731413 Cu 1.78863056 8.89832011 7.06575455 -0.22877643 0.28804450 0.37396810 Cu 1.80377621 7.09698849 8.85521641 -0.23177343 0.24903486 0.25229941 Cu 0.01179209 8.85134056 8.88746675 0.52704851 -0.47134791 -0.49641792 Cu 3.52504759 7.14198609 7.07584941 0.24146731 -0.19269042 0.45843733 Cu 5.31212100 8.84734090 7.06520411 0.18454348 0.46842995 0.47018608 Cu 5.35413766 7.08003178 8.88494756 -0.20161390 0.23176751 0.21601105 Cu 3.54119838 8.90481473 8.84944624 0.06237977 -0.24097363 -0.15429001 Cu 7.10882191 7.09022587 7.09471460 0.19296967 0.14380793 0.18749387 Cu 8.90826679 8.86807829 7.08727032 -0.29722308 -0.33445263 0.04455537 Cu 8.90491148 7.06484313 8.88545437 -0.27658359 0.10871997 -0.37223929 Cu 7.13029410 8.85463518 8.84080402 -0.06664667 -0.24267883 -0.23939743