108 Lattice="10.662013147560927 0.0 0.0 0.0 10.662013147560927 0.0 0.0 0.0 10.662013147560927" Properties=species:S:1:pos:R:3:forces:R:3 energy=-305.3325584818742 stress="-0.004340634726184441 9.785784679233614e-05 -0.00024164211267757246 9.785784679233614e-05 -0.004390085488013637 -0.00015512272544318002 -0.00024164211267757246 -0.00015512272544318002 -0.004662238447226127" pbc="F F F" Cu 0.02567747 0.02500170 0.02802661 0.31074705 0.29595975 0.26726964 Cu 1.79366515 1.80402584 0.00060996 0.03299866 -0.03926828 -0.12112629 Cu 1.80008300 0.02593676 1.76611176 -0.10981482 -0.13561259 0.10353535 Cu 0.02461677 1.80756304 1.74935487 -0.16056604 -0.16027829 0.17739362 Cu 3.51738869 0.02276849 0.00574225 -0.00226879 0.06525962 0.03576172 Cu 5.32323591 1.75043739 0.02171746 0.12445196 0.12371183 -0.22729671 Cu 5.30774114 0.00044252 1.74560155 0.10499971 -0.20690571 0.18367405 Cu 3.55752380 1.78426644 1.79511994 -0.06813599 -0.15754153 -0.26292034 Cu 7.10560724 0.00126340 0.01781345 -0.07451271 0.11997276 0.09700564 Cu 8.86722736 1.75707990 0.00856149 -0.15884188 0.13961904 0.18629299 Cu 8.87272959 0.00321832 1.76179250 -0.14338766 0.08115079 0.16276001 Cu 7.11231992 1.74697265 1.79997344 0.02523772 0.06634536 -0.27276596 Cu 0.03888935 3.53645026 0.05407866 -0.04894608 0.06947290 -0.08557537 Cu 1.74760271 5.33698088 0.02250455 0.18888663 0.01293650 -0.17150244 Cu 1.79841957 3.55765283 1.79707720 -0.17496381 -0.06247777 -0.25913875 Cu 0.01355122 5.30989511 1.79993639 -0.25712044 0.12166356 -0.05272246 Cu 3.58915271 3.57852235 0.00758131 -0.22019239 -0.10239995 -0.25131488 Cu 5.34589633 5.34393174 0.01250053 -0.03591398 0.13185913 -0.20110936 Cu 5.31704660 3.55064248 1.76667079 0.23912365 -0.19503046 -0.15333439 Cu 3.54158545 5.32588949 1.79512150 -0.09318891 0.31000640 -0.40931662 Cu 7.12069661 3.56115660 0.03136370 -0.06431176 -0.16981910 -0.22429738 Cu 8.89712899 5.34587031 0.03413566 -0.22434578 0.07650178 0.13008251 Cu 8.86661167 3.54956674 1.78594087 0.26183973 -0.08056221 -0.10946098 Cu 7.07624510 5.30827439 1.78027121 0.38210726 0.37473715 -0.27190240 Cu 0.01180441 7.07402961 0.03266205 0.12596650 0.08869423 0.17256728 Cu 1.76017999 8.91163260 0.02894997 0.07143732 -0.24014323 0.17066476 Cu 1.76042844 7.11921282 1.80432730 0.02025999 0.12106997 -0.25418573 Cu 0.00234189 8.91089894 1.77233564 0.14705194 -0.20168297 0.06353744 Cu 3.53484249 7.13292961 0.02092314 -0.02916368 -0.13087526 -0.21535326 Cu 5.33815670 8.91367355 0.01983023 0.02879988 -0.16098681 0.09798649 Cu 5.29625329 7.12571077 1.80852667 0.37752765 0.10050497 -0.33531920 Cu 3.58911861 8.86910810 1.74641821 -0.36015769 0.29711494 0.15801131 Cu 7.07898067 7.14176196 0.02892287 0.12795295 -0.14796505 -0.11719078 Cu 8.88276807 8.87114994 0.02079673 -0.25183477 -0.30898359 0.26957016 Cu 8.86867938 7.10588006 1.78627452 0.16252533 -0.02417769 -0.10410473 Cu 7.13337453 8.90863584 1.74092180 -0.13086529 0.05698095 0.19588229 Cu 0.01076239 0.00806637 3.54223759 0.13298931 0.20343845 -0.09906725 Cu 1.77389058 1.79810892 3.53948062 -0.17415595 -0.22886074 0.04130258 Cu 1.77561727 0.02650292 5.29595123 0.09187638 -0.17377400 0.20546947 Cu 0.02637647 1.74819459 5.38816870 -0.19311461 0.22459051 -0.20435652 Cu 3.56159050 0.01564848 3.56605943 -0.10936919 -0.28515261 -0.15097058 Cu 5.33729098 1.75275434 3.55737474 0.17709917 0.07503504 -0.09319931 Cu 5.29840891 0.02801604 5.33059412 0.14311264 -0.33224119 0.15731444 Cu 3.57448139 1.81209171 5.30305897 -0.29223473 -0.33558991 0.21407104 Cu 7.09699588 0.03442977 3.58741126 0.05093379 -0.30563666 -0.13538451 Cu 8.89777729 1.76291269 3.51607376 0.07396832 0.13879551 0.16362454 Cu 8.91847459 0.02019956 5.29749317 -0.17916184 0.12137101 0.14872481 Cu 7.12971351 1.78014962 5.38118085 0.09907068 0.02668702 -0.29702047 Cu 0.01560605 3.57534769 3.56633303 -0.37865151 -0.27598604 -0.01425871 Cu 1.74246861 5.31720300 3.56587195 0.06542999 0.27843980 -0.07709481 Cu 1.78746846 3.57071634 5.29637521 -0.16427555 -0.21553055 0.36184063 Cu 0.01901903 5.33891632 5.36158577 -0.31674752 0.15450066 0.01437546 Cu 3.57035504 3.58364065 3.52398528 -0.15489457 -0.20826486 0.14543203 Cu 5.33708844 5.33790757 3.49559097 0.13667198 0.20754732 0.27212513 Cu 5.30139639 3.58943806 5.29664336 0.42865187 -0.22418227 0.17346428 Cu 3.57528371 5.35842386 5.35493194 -0.29033113 -0.14819317 -0.15001651 Cu 7.12248679 3.58439367 3.53117757 0.07910748 -0.45274460 0.20960997 Cu 8.87858396 5.31127179 3.54219286 0.26675580 0.15916205 -0.05752063 Cu 8.91911972 3.58244772 5.33388296 0.08125941 -0.25009173 0.02929858 Cu 7.09993819 5.33483742 5.34254637 0.18530799 0.04726238 -0.13667962 Cu 0.03334467 7.13507307 3.54253663 -0.35014417 -0.06829864 0.06948662 Cu 1.76507312 8.86819131 3.56690273 0.03457856 0.38124884 -0.17960137 Cu 1.81104047 7.11878115 5.30174758 -0.45728150 0.06575496 0.42596389 Cu 0.01125476 8.87315504 5.39732510 0.11380840 -0.11982039 -0.05995165 Cu 3.53823110 7.12457895 3.57656378 -0.08927614 0.08186852 -0.28751259 Cu 5.30955480 8.88583150 3.51989018 0.26975484 0.22834130 0.14399289 Cu 5.30231332 7.07940439 5.29905790 0.40192074 0.49415081 0.12468876 Cu 3.53076353 8.90692464 5.32025757 0.08169207 0.19574046 0.19152690 Cu 7.16508092 7.12171709 3.54759255 -0.27295720 0.16148886 -0.01867893 Cu 8.90485354 8.86980894 3.51989382 -0.16195463 -0.05531690 0.06121717 Cu 8.89875845 7.09135431 5.31079757 0.14006754 0.14946805 0.06971648 Cu 7.09729642 8.91264902 5.35622600 0.13800191 -0.07156567 -0.11889046 Cu 0.01632138 0.01800934 7.10174852 0.17816789 0.05846458 -0.06669892 Cu 1.80117866 1.79194057 7.12734270 -0.11328892 -0.05106298 -0.05133446 Cu 1.78113500 0.00268553 8.83822345 0.03183227 0.09049410 0.01769350 Cu 0.01157226 1.74594371 8.87911214 0.13109453 0.13009180 -0.17008348 Cu 3.52020464 0.02340587 7.12905728 0.19306031 -0.21205591 -0.17379206 Cu 5.32907505 1.77727902 7.08962442 0.11056729 -0.10461648 0.28099529 Cu 5.38220767 0.01170664 8.91460419 -0.05017681 0.13952985 -0.22694360 Cu 3.58677546 1.74619381 8.87570341 -0.13671129 0.21450733 0.20630538 Cu 7.09924359 0.00425555 7.11214304 0.09701043 -0.17466184 -0.12883147 Cu 8.89431538 1.74580542 7.12161170 0.11332849 0.21705388 -0.08465422 Cu 8.88565916 0.01713784 8.85465145 -0.27554611 0.19115352 -0.21857653 Cu 7.14342127 1.76312371 8.85264461 -0.11342677 0.17526993 0.10833078 Cu 0.02754918 3.54973939 7.13683405 -0.26229251 -0.13149209 -0.12916321 Cu 1.75060819 5.30630662 7.11698622 0.07483432 0.24263889 0.11189531 Cu 1.74922122 3.54916901 8.89479054 0.24821254 -0.11333712 0.17324961 Cu 0.00068858 5.32230149 8.88033489 0.10252297 0.09934099 -0.09470278 Cu 3.58796509 3.56205973 7.08703435 -0.32909157 -0.13521425 0.38357976 Cu 5.33009540 5.34443705 7.13197088 0.16874601 0.13473807 0.17323570 Cu 5.32750047 3.56492629 8.88237740 0.22207933 -0.16050528 0.23410138 Cu 3.55683258 5.29682405 8.87537151 -0.07792845 0.22328129 0.21132337 Cu 7.09517987 3.57909196 7.09746234 0.24441179 -0.18257096 0.22953748 Cu 8.87308600 5.34171521 7.09204001 0.29072435 0.05444811 0.09179941 Cu 8.89981950 3.58484695 8.86845945 -0.18756623 -0.08343142 -0.18295567 Cu 7.13094998 5.37674444 8.87128771 -0.10709757 -0.13223155 0.20475633 Cu 0.00229968 7.12893193 7.14354273 -0.00034625 -0.12267492 -0.06266235 Cu 1.75907438 8.88379901 7.13444860 0.20638223 0.05660986 -0.05605879 Cu 1.79949205 7.09288512 8.88704341 -0.01348880 0.09246349 0.10475311 Cu 0.03062229 8.91543330 8.85164127 0.26446113 -0.30577273 -0.24058512 Cu 3.54794443 7.09309649 7.08171491 -0.04299851 0.34631713 0.44129844 Cu 5.34835035 8.87845429 7.07322402 -0.01693073 0.04213235 0.10613228 Cu 5.33961585 7.14597082 8.91028736 -0.01300234 -0.11528746 -0.03241874 Cu 3.58878183 8.90823324 8.86501174 -0.11389507 -0.19235497 -0.21061442 Cu 7.13992143 7.07632949 7.09207909 -0.06649679 0.46446738 0.15983913 Cu 8.90233069 8.87599342 7.12857423 -0.21105760 -0.27590400 -0.13191601 Cu 8.89976290 7.08907418 8.91845466 -0.21019041 0.00715806 -0.27061559 Cu 7.11817701 8.89901693 8.85398552 -0.06679322 -0.25947938 -0.22131778