108 Lattice="10.662011939478399 0.0 0.0 0.0 10.662011939478399 0.0 0.0 0.0 10.662011939478399" Properties=species:S:1:pos:R:3:forces:R:3 energy=-305.33096921431303 stress="-0.0045742992822667885 -0.00016040584865868005 -0.0005790708224974015 -0.00016040584865868005 -0.004824659322245923 0.00044400709209047783 -0.0005790708224974015 0.00044400709209047783 -0.004416766141122026" free_energy=-305.33096921431303 pbc="F F F" Cu 0.03433440 0.02946595 0.02154273 0.19350844 0.17733087 0.23223169 Cu 1.77035921 1.74707331 0.02748167 0.09694314 0.32733378 -0.20686857 Cu 1.80221573 0.02724614 1.76321180 -0.15140924 -0.21622338 0.05058665 Cu 0.00171168 1.77752842 1.75415023 -0.07179013 0.09613217 0.18419547 Cu 3.57146280 0.04146367 0.03463446 -0.09735918 -0.03370552 -0.04571724 Cu 5.31669956 1.79194988 0.01217594 0.29975479 0.06515934 -0.16239495 Cu 5.29625763 0.02525423 1.75930502 0.28619571 -0.10923324 0.15830119 Cu 3.56366392 1.80827989 1.76884417 -0.18828903 -0.14965596 -0.07830702 Cu 7.11748115 0.03143319 0.03442819 -0.12377594 0.12647588 0.15661970 Cu 8.90627715 1.74865323 0.03486489 -0.13953638 0.21546990 0.11502548 Cu 8.91824088 0.00171052 1.76241480 -0.14963909 0.12815901 0.16968795 Cu 7.16820458 1.78051183 1.80816957 -0.23648901 -0.06539505 -0.26194395 Cu 0.01399623 3.56844406 0.01229741 0.10051065 -0.08588712 0.08773210 Cu 1.79472145 5.30797718 0.01265605 -0.13337655 0.26484108 -0.22392372 Cu 1.78211260 3.58714649 1.77557353 -0.25114266 -0.45217140 -0.18321589 Cu 0.02419318 5.31637951 1.80642962 -0.26255495 0.22013429 -0.15362255 Cu 3.58187086 3.58925892 0.00358323 -0.17185439 -0.28873250 -0.25000295 Cu 5.33520026 5.32835899 0.03140480 0.02948704 0.06797172 -0.23487838 Cu 5.33383167 3.52437641 1.81156992 0.25558176 0.08353360 -0.43154134 Cu 3.53140515 5.31192835 1.76917250 0.03924829 0.30914296 -0.13997995 Cu 7.13986276 3.57248689 0.02284901 -0.09800256 -0.18894840 -0.17876953 Cu 8.90505965 5.35527573 0.02757967 -0.10966119 0.11296812 0.08485713 Cu 8.87881011 3.58752827 1.77796068 0.29617369 -0.24289895 0.10337164 Cu 7.13980434 5.31602469 1.78446847 -0.05545885 0.14952068 -0.09307627 Cu 0.01919797 7.10413271 0.02771306 0.13037130 -0.16503016 0.16479104 Cu 1.77283813 8.83457498 0.01733335 0.00627090 0.08025974 0.01296260 Cu 1.80519784 7.13866237 1.77734439 -0.38267949 -0.20252470 -0.06397822 Cu 0.03280690 8.88059650 1.80259029 0.03127573 -0.09501376 -0.02264091 Cu 3.52148522 7.13104742 0.00035024 0.14333243 -0.23449607 -0.20629000 Cu 5.32646519 8.85637688 0.01652206 0.07353625 -0.09062037 0.08627182 Cu 5.30909451 7.09206933 1.78132178 0.12007043 0.23389231 -0.06705390 Cu 3.53154599 8.86764403 1.76312180 0.16324324 0.30856431 0.13976391 Cu 7.09071615 7.08137059 0.02482100 0.10055112 0.13643797 -0.07672497 Cu 8.85221337 8.86904087 0.02351968 -0.35175543 -0.30900212 0.32262599 Cu 8.85063462 7.13768870 1.80286371 0.20931702 -0.07342653 -0.06572206 Cu 7.07288811 8.90005814 1.81039522 0.09047371 0.02648544 -0.15507488 Cu 0.01764156 0.00782349 3.55525007 0.18217167 0.16369193 -0.05471664 Cu 1.78785389 1.76897282 3.55240771 -0.28002302 -0.01099282 -0.07130993 Cu 1.78619730 0.00955496 5.35824147 -0.04785867 -0.17111511 -0.01409789 Cu 0.02444455 1.78090736 5.36593279 -0.28141621 -0.16923441 -0.15061084 Cu 3.52004145 0.01621361 3.50606858 0.08013431 -0.25836625 0.14919507 Cu 5.33293541 1.78707492 3.57713349 0.08445402 -0.22446204 -0.19044084 Cu 5.30758279 0.02256331 5.30929816 0.12438743 -0.33080979 0.00021925 Cu 3.55118176 1.75781120 5.33847746 -0.12593381 0.09799877 0.07415247 Cu 7.13016032 0.00415620 3.52352568 -0.11165915 -0.16910276 0.06972706 Cu 8.87697310 1.75661582 3.57775099 0.19836463 0.15733211 -0.11328385 Cu 8.89524349 0.03344737 5.33143447 -0.17118721 0.05437931 0.07716786 Cu 7.08413454 1.78986505 5.35462332 0.31222526 -0.22576300 -0.17477262 Cu 0.02511229 3.57286234 3.58271647 -0.30662741 -0.29679784 -0.14319330 Cu 1.74229923 5.33498135 3.54160119 0.05283287 0.06881866 0.15634084 Cu 1.74603418 3.52913112 5.36632102 0.27345319 0.11518643 -0.20423925 Cu 0.02092805 5.30362999 5.35201010 -0.36126094 0.26844616 -0.04235124 Cu 3.53831616 3.57199161 3.52335673 -0.13868997 -0.24584650 0.33112508 Cu 5.30089483 5.31567213 3.53059516 0.24831204 0.24439996 0.01113579 Cu 5.31854224 3.57118478 5.36265845 -0.06938729 -0.20583234 -0.19446818 Cu 3.58092200 5.34780754 5.31441061 -0.42112050 -0.11394053 0.13865499 Cu 7.10988411 3.58651547 3.57896701 0.18709494 -0.32470809 -0.19256136 Cu 8.90485744 5.30799469 3.58804404 0.25332541 0.23763853 -0.21306859 Cu 8.89117982 3.55963459 5.30795495 0.22984799 -0.06416548 0.25862552 Cu 7.10194749 5.31242666 5.31684870 0.20277227 0.36501966 0.14805314 Cu 0.01283433 7.13495494 3.57227068 -0.18331915 -0.11436357 -0.09532246 Cu 1.76205907 8.91266941 3.52473357 0.07122949 0.15806339 0.12108650 Cu 1.77575143 7.10918898 5.31236479 -0.17363910 0.28929218 0.23630464 Cu 0.02434055 8.91066817 5.32883194 0.12478474 -0.17409220 0.11024997 Cu 3.50652508 7.11459107 3.56176547 0.15216218 0.17177961 -0.18504350 Cu 5.35195408 8.87182510 3.58093875 -0.06719173 0.25366347 -0.27418631 Cu 5.29814379 7.14041147 5.29617566 0.31992390 -0.09289167 0.15968580 Cu 3.56579016 8.90211181 5.29741542 -0.26138968 0.22262396 0.23672778 Cu 7.12155078 7.07736346 3.53998384 0.09125691 0.26521714 0.13745245 Cu 8.86633862 8.90122318 3.55799835 -0.20939382 -0.18033785 0.06673835 Cu 8.90560910 7.08485760 5.35912797 0.08134369 0.17056857 -0.10065174 Cu 7.07440808 8.86616651 5.35953607 0.32117709 0.18262160 -0.16029190 Cu 0.00029452 0.00082833 7.13811338 0.16549306 0.18092406 -0.12155460 Cu 1.75305069 1.79225442 7.11944298 0.11964923 -0.29282274 0.23350576 Cu 1.75818284 0.00430946 8.89467263 0.25781206 0.24002858 -0.24875641 Cu 0.02029503 1.77413451 8.89671025 0.08010125 0.09545242 -0.17053839 Cu 3.57678752 0.01125996 7.09411632 -0.14356517 -0.12456561 0.22199196 Cu 5.35673972 1.79313177 7.09307430 -0.17606733 -0.22732217 0.30453678 Cu 5.30561150 0.03106584 8.90138779 0.11870177 0.17569581 -0.17002152 Cu 3.56553284 1.81017744 8.87227841 -0.17810288 -0.16665502 0.13447797 Cu 7.08285787 0.00714225 7.09846842 0.16563054 -0.13571706 0.15733465 Cu 8.86752432 1.79673363 7.08090161 0.12854739 -0.09928508 0.17486102 Cu 8.91676876 0.00828881 8.92002317 -0.43898631 0.43015751 -0.50055712 Cu 7.14105271 1.79096227 8.85725409 -0.14211797 -0.09645158 0.12539492 Cu 0.00244284 3.53575522 7.07431855 -0.22055615 0.11830981 0.40031745 Cu 1.76639887 5.34784443 7.08751585 -0.04963927 -0.02398057 0.42678247 Cu 1.75976907 3.54400591 8.91676655 0.01902685 0.11113516 -0.00061763 Cu 0.00300614 5.35086818 8.91410725 0.14637871 -0.10533526 -0.24280689 Cu 3.53387410 3.58656680 7.14048059 -0.04214205 -0.15753451 -0.04210451 Cu 5.35979779 5.34797719 7.08517322 -0.15253523 0.21130877 0.39151315 Cu 5.30626605 3.57023834 8.85826200 0.25463534 -0.10921856 0.29118017 Cu 3.56736250 5.32971953 8.90482214 -0.15778693 0.18292513 0.09089679 Cu 7.08051118 3.57446009 7.08597217 0.43316141 -0.10811744 0.27478435 Cu 8.88233655 5.35682872 7.14171457 0.13709566 -0.20522188 -0.25240321 Cu 8.83858497 3.57403194 8.88875091 0.00517470 -0.06634501 -0.12563056 Cu 7.10937663 5.32111362 8.86090462 -0.14537794 0.20366726 0.24550463 Cu 0.01715012 7.09493421 7.14075133 -0.16186559 0.09155385 -0.20900203 Cu 1.74923799 8.88001427 7.13650898 0.22277339 0.00317337 -0.12188768 Cu 1.74923464 7.09867222 8.90676312 0.28218787 0.03504603 0.00540481 Cu 0.02167850 8.86420562 8.86961088 0.20638525 -0.24658522 -0.20316492 Cu 3.56871813 7.09258743 7.07403163 -0.22663679 0.35063387 0.45459862 Cu 5.35394995 8.89693890 7.07516475 -0.10457054 0.07587895 0.24267978 Cu 5.32284527 7.14088588 8.90938912 0.12378728 -0.12327280 -0.06134239 Cu 3.55835889 8.88510815 8.88956153 -0.08233725 -0.21016940 -0.25371411 Cu 7.12234161 7.11486639 7.08111518 -0.03934391 0.09742214 0.30668756 Cu 8.88375284 8.89705567 7.11937975 -0.21523466 -0.24878345 -0.10384921 Cu 8.90087778 7.06208467 8.85762738 -0.18873334 0.10585457 -0.09892478 Cu 7.12186416 8.86652682 8.88951235 -0.07317037 -0.20255107 -0.23090609